
                                 *****************
                                 * O   R   C   A *
                                 *****************

                                            #,                                       
                                            ###                                      
                                            ####                                     
                                            #####                                    
                                            ######                                   
                                           ########,                                 
                                     ,,################,,,,,                         
                               ,,#################################,,                 
                          ,,##########################################,,             
                       ,#########################################, ''#####,          
                    ,#############################################,,   '####,        
                  ,##################################################,,,,####,       
                ,###########''''           ''''###############################       
              ,#####''   ,,,,##########,,,,          '''####'''          '####       
            ,##' ,,,,###########################,,,                        '##       
           ' ,,###''''                  '''############,,,                           
         ,,##''                                '''############,,,,        ,,,,,,###''
      ,#''                                            '''#######################'''  
     '                                                          ''''####''''         
             ,#######,   #######,   ,#######,      ##                                
            ,#'     '#,  ##    ##  ,#'     '#,    #''#        ######   ,####,        
            ##       ##  ##   ,#'  ##            #'  '#       #        #'  '#        
            ##       ##  #######   ##           ,######,      #####,   #    #        
            '#,     ,#'  ##    ##  '#,     ,#' ,#      #,         ##   #,  ,#        
             '#######'   ##     ##  '#######'  #'      '#     #####' # '####'        



                  #######################################################
                  #                        -***-                        #
                  #          Department of theory and spectroscopy      #
                  #    Directorship and core code : Frank Neese         #
                  #        Max Planck Institute fuer Kohlenforschung    #
                  #                Kaiser Wilhelm Platz 1               #
                  #                 D-45470 Muelheim/Ruhr               #
                  #                      Germany                        #
                  #                                                     #
                  #                  All rights reserved                #
                  #                        -***-                        #
                  #######################################################


                         Program Version 5.0.3 -  RELEASE  -


 With contributions from (in alphabetic order):
   Daniel Aravena         : Magnetic Suceptibility
   Michael Atanasov       : Ab Initio Ligand Field Theory (pilot matlab implementation)
   Alexander A. Auer      : GIAO ZORA, VPT2 properties, NMR spectrum
   Ute Becker             : Parallelization
   Giovanni Bistoni       : ED, misc. LED, open-shell LED, HFLD
   Martin Brehm           : Molecular dynamics
   Dmytro Bykov           : SCF Hessian
   Vijay G. Chilkuri      : MRCI spin determinant printing, contributions to CSF-ICE
   Dipayan Datta          : RHF DLPNO-CCSD density
   Achintya Kumar Dutta   : EOM-CC, STEOM-CC
   Dmitry Ganyushin       : Spin-Orbit,Spin-Spin,Magnetic field MRCI
   Miquel Garcia          : C-PCM and meta-GGA Hessian, CC/C-PCM, Gaussian charge scheme
   Yang Guo               : DLPNO-NEVPT2, F12-NEVPT2, CIM, IAO-localization
   Andreas Hansen         : Spin unrestricted coupled pair/coupled cluster methods
   Benjamin Helmich-Paris : MC-RPA, TRAH-SCF, COSX integrals
   Lee Huntington         : MR-EOM, pCC
   Robert Izsak           : Overlap fitted RIJCOSX, COSX-SCS-MP3, EOM
   Marcus Kettner         : VPT2
   Christian Kollmar      : KDIIS, OOCD, Brueckner-CCSD(T), CCSD density, CASPT2, CASPT2-K
   Simone Kossmann        : Meta GGA functionals, TD-DFT gradient, OOMP2, MP2 Hessian
   Martin Krupicka        : Initial AUTO-CI
   Lucas Lang             : DCDCAS
   Marvin Lechner         : AUTO-CI (C++ implementation), FIC-MRCC
   Dagmar Lenk            : GEPOL surface, SMD
   Dimitrios Liakos       : Extrapolation schemes; Compound Job, initial MDCI parallelization
   Dimitrios Manganas     : Further ROCIS development; embedding schemes
   Dimitrios Pantazis     : SARC Basis sets
   Anastasios Papadopoulos: AUTO-CI, single reference methods and gradients
   Taras Petrenko         : DFT Hessian,TD-DFT gradient, ASA, ECA, R-Raman, ABS, FL, XAS/XES, NRVS
   Peter Pinski           : DLPNO-MP2, DLPNO-MP2 Gradient
   Christoph Reimann      : Effective Core Potentials
   Marius Retegan         : Local ZFS, SOC
   Christoph Riplinger    : Optimizer, TS searches, QM/MM, DLPNO-CCSD(T), (RO)-DLPNO pert. Triples
   Tobias Risthaus        : Range-separated hybrids, TD-DFT gradient, RPA, STAB
   Michael Roemelt        : Original ROCIS implementation
   Masaaki Saitow         : Open-shell DLPNO-CCSD energy and density
   Barbara Sandhoefer     : DKH picture change effects
   Avijit Sen             : IP-ROCIS
   Kantharuban Sivalingam : CASSCF convergence, NEVPT2, FIC-MRCI
   Bernardo de Souza      : ESD, SOC TD-DFT
   Georgi Stoychev        : AutoAux, RI-MP2 NMR, DLPNO-MP2 response
   Willem Van den Heuvel  : Paramagnetic NMR
   Boris Wezisla          : Elementary symmetry handling
   Frank Wennmohs         : Technical directorship


 We gratefully acknowledge several colleagues who have allowed us to
 interface, adapt or use parts of their codes:
   Stefan Grimme, W. Hujo, H. Kruse, P. Pracht,  : VdW corrections, initial TS optimization,
                  C. Bannwarth, S. Ehlert          DFT functionals, gCP, sTDA/sTD-DF
   Ed Valeev, F. Pavosevic, A. Kumar             : LibInt (2-el integral package), F12 methods
   Garnet Chan, S. Sharma, J. Yang, R. Olivares  : DMRG
   Ulf Ekstrom                                   : XCFun DFT Library
   Mihaly Kallay                                 : mrcc  (arbitrary order and MRCC methods)
   Jiri Pittner, Ondrej Demel                    : Mk-CCSD
   Frank Weinhold                                : gennbo (NPA and NBO analysis)
   Christopher J. Cramer and Donald G. Truhlar   : smd solvation model
   Lars Goerigk                                  : TD-DFT with DH, B97 family of functionals
   V. Asgeirsson, H. Jonsson                     : NEB implementation
   FAccTs GmbH                                   : IRC, NEB, NEB-TS, DLPNO-Multilevel, CI-OPT
                                                   MM, QMMM, 2- and 3-layer-ONIOM, Crystal-QMMM,
                                                   LR-CPCM, SF, NACMEs, symmetry and pop. for TD-DFT,
                                                   nearIR, NL-DFT gradient (VV10), updates on ESD,
                                                   ML-optimized integration grids
   S Lehtola, MJT Oliveira, MAL Marques          : LibXC Library
   Liviu Ungur et al                             : ANISO software


 Your calculation uses the libint2 library for the computation of 2-el integrals
 For citations please refer to: http://libint.valeyev.net

 Your ORCA version has been built with support for libXC version: 5.1.0
 For citations please refer to: https://tddft.org/programs/libxc/

 This ORCA versions uses:
   CBLAS   interface :  Fast vector & matrix operations
   LAPACKE interface :  Fast linear algebra routines
   SCALAPACK package :  Parallel linear algebra routines
   Shared memory     :  Shared parallel matrices
   BLAS/LAPACK       :  OpenBLAS 0.3.15  USE64BITINT DYNAMIC_ARCH NO_AFFINITY SkylakeX SINGLE_THREADED
        Core in use  :  SkylakeX
   Copyright (c) 2011-2014, The OpenBLAS Project


================================================================================

----- Orbital basis set information -----
Your calculation utilizes the basis: def2-SVP
   F. Weigend and R. Ahlrichs, Phys. Chem. Chem. Phys. 7, 3297 (2005).

The basis set includes element-specific modifications.

Your calculation utilizes the basis: aug-cc-pVTZ 
    H, B-Ne : Obtained from the ccRepo (grant-hill.group.shef.ac.uk/ccrepo) Feb. 2017
              R. A. Kendall, T. H. Dunning, Jr., R. J. Harrison, J. Chem. Phys. 96, 6796 (1992)
         He : Obtained from the ccRepo (grant-hill.group.shef.ac.uk/ccrepo) Feb. 2017
              D. E. Woon, T. H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994)
  Li-Be, Na : Obtained from the ccRepo (grant-hill.group.shef.ac.uk/ccrepo) Feb. 2017
              B. P. Prascher, D. E. Woon, K. A. Peterson, T. H. Dunning, Jr., A. K. Wilson, Theor. Chem. Acc. 128, 69 (2011)
         Mg : Obtained from the Peterson Research Group Website (tyr0.chem.wsu.edu/~kipeters) Feb. 2017
              B. P. Prascher, D. E. Woon, K. A. Peterson, T. H. Dunning, Jr., A. K. Wilson, Theor. Chem. Acc. 128, 69 (2011)
      Al-Ar : Obtained from the ccRepo (grant-hill.group.shef.ac.uk/ccrepo) Feb. 2017
              D. E. Woon, T. H. Dunning, Jr., J. Chem. Phys. 98, 1358 (1993)
      Sc-Zn : Obtained from the ccRepo (grant-hill.group.shef.ac.uk/ccrepo) Feb. 2017
              N. B. Balabanov, K. A. Peterson, J. Chem. Phys. 123, 064107 (2005)
              N. B. Balabanov, K. A. Peterson, J. Chem. Phys. 125, 074110 (2006)
      Ga-Kr : Obtained from the ccRepo (grant-hill.group.shef.ac.uk/ccrepo) Feb. 2017
              A. K. Wilson, D. E. Woon, K. A. Peterson, T. H. Dunning, Jr., J. Chem. Phys. 110, 7667 (1999)
     Ag, Au : Obtained from the Peterson Research Group Website (tyr0.chem.wsu.edu/~kipeters) Feb. 2017
              K. A. Peterson, C. Puzzarini, Theor. Chem. Acc. 114, 283 (2005)

Your calculation utilizes the basis: cc-pVTZ 
       H, B-Ne : Obtained from the ccRepo (grant-hill.group.shef.ac.uk/ccrepo) Feb. 2017
                 T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989)
            He : Obtained from the ccRepo (grant-hill.group.shef.ac.uk/ccrepo) Feb. 2017
                 D. E. Woon, T. H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994)
  Li-Be, Na-Mg : Obtained from the ccRepo (grant-hill.group.shef.ac.uk/ccrepo) Feb. 2017
                 B. P. Prascher, D. E. Woon, K. A. Peterson, T. H. Dunning, Jr., A. K. Wilson, Theor. Chem. Acc. 128, 69 (2011)
         Al-Ar : Obtained from the ccRepo (grant-hill.group.shef.ac.uk/ccrepo) Feb. 2017
                 D. E. Woon, T. H. Dunning, Jr., J. Chem. Phys. 98, 1358 (1993)
            Ca : Obtained from the Peterson Research Group Website (tyr0.chem.wsu.edu/~kipeters) Feb. 2017
                 J. Koput, K. A. Peterson, J. Phys. Chem. 106, 9595 (2002)
         Sc-Zn : Obtained from the ccRepo (grant-hill.group.shef.ac.uk/ccrepo) Feb. 2017
                 N. B. Balabanov, K. A. Peterson, J. Chem. Phys. 123, 064107 (2005)
                 N. B. Balabanov, K. A. Peterson, J. Chem. Phys. 125, 074110 (2006)
         Ga-Kr : Obtained from the ccRepo (grant-hill.group.shef.ac.uk/ccrepo) Feb. 2017
                 A. K. Wilson, D. E. Woon, K. A. Peterson, T. H. Dunning, Jr., J. Chem. Phys. 110, 7667 (1999)
             Y : Obtained from the ccRepo (grant-hill.group.shef.ac.uk/ccrepo) Feb. 2017
                 K. A. Peterson, D. Figgen, M. Dolg, H. Stoll, J. Chem. Phys. 126, 124101 (2007)
        Ag, Au : Obtained from the Peterson Research Group Website (tyr0.chem.wsu.edu/~kipeters) Feb. 2017
                 K. A. Peterson, C. Puzzarini, Theor. Chem. Acc. 114, 283 (2005)

----- AuxJ basis set information -----
Your calculation utilizes the auxiliary basis: def2/J
   F. Weigend, Phys. Chem. Chem. Phys. 8, 1057 (2006).

================================================================================
                                        WARNINGS
                       Please study these warnings very carefully!
================================================================================

WARNING: The globally-selected AuxJ basis set is optimized for use with ECPs
         Make sure a suitable alternative is explicitly given all heavy elements (Z>36)

INFO   : the flag for use of the SHARK integral package has been found!

================================================================================
                                       INPUT FILE
================================================================================
NAME = final004.orca.inp
|  1> ! NoMOPrint PrintBasis #MINIPRINT SMALLPRINT LARGEPRINT
|  2> ! ALLPOP XYZFILE
|  3> #! BP86 3-21G   TightSCF
|  4> ! ENGRAD
|  5> ! B3LYP NormalPNO PModel #DecontractAux
|  6> #! VerySlowConv 
|  7>  %maxcore 5000
|  8>  %scf  maxiter   500  end 
|  9> 
| 10> %pal
| 11>     nprocs 32
| 12> end
| 13> 
| 14> %basis
| 15>     NewGTO O    # New basis for oxygen
| 16>         "aug-cc-pVTZ"
| 17>     end
| 18>     NewGTO C    # New basis for carbon
| 19>         "aug-cc-pVTZ"
| 20>     end
| 21>     NewGTO H    # New basis for hydrogen
| 22>         "cc-pVTZ"
| 23>     end
| 24> end
| 25> 
| 26> * xyz 0   1
| 27>   C  10.54  11.8  9.73  #1
| 28>   H  9.47  12.11  9.91  #2
| 29>   H  10.57  10.78  9.32  #3
| 30>   C  11.22  11.85  11.1  #4
| 31>   H  12.32  11.68  11.13  #5
| 32>   H  11.13  12.93  11.39  #6
| 33>   C  10.56  10.98  12.11  #7
| 34>   H  9.46  11.12  12.04  #8
| 35>   H  10.9  11.28  13.13  #9
| 36>   C  11.05  9.55  12.02  #10
| 37>   H  12.14  9.55  12.28  #11
| 38>   H  10.88  9.04  11.08  #12
| 39>   O  10.3  8.86  13.03  #13
| 40>   H  10.66  9.25  13.87  #14
| 41>   O  11.17  12.78  8.82  #15
| 42>   H  10.74  12.63  7.91  #16
| 43>   O  11.39  7.83  16.37  #17
| 44>   H  11.6  7.55  17.26  #18
| 45>   H  11.33  7.07  15.8  #19
| 46>   O  9.49  8.86  7.88  #20
| 47>   H  8.76  8.65  8.5  #21
| 48>   H  9.2  9.54  7.3  #22
| 49>   O  8.44  7.05  12.22  #23
| 50>   H  9.07  6.43  11.88  #24
| 51>   H  9.09  7.66  12.6  #25
| 52>   O  13.77  9.21  11.02  #26
| 53>   H  14.49  8.82  10.47  #27
| 54>   H  14.15  9.4  11.9  #28
| 55>   O  12.56  11.13  5.89  #29
| 56>   H  12.7  11.05  6.86  #30
| 57>   H  12.21  10.23  5.6  #31
| 58>   O  12.33  9.39  8.69  #32
| 59>   H  12.58  9.29  9.63  #33
| 60>   H  11.42  9.15  8.62  #34
| 61>   O  10.83  7.51  5.96  #35
| 62>   H  10.12  7.76  6.61  #36
| 63>   H  10.56  6.74  5.44  #37
| 64>   O  10.29  15.72  11.59  #38
| 65>   H  10.28  16.63  11.91  #39
| 66>   H  9.59  15.29  12.1  #40
| 67>   O  12.96  6.53  19.15  #41
| 68>   H  13.16  5.59  18.89  #42
| 69>   H  12.46  6.49  19.99  #43
| 70>   O  11.66  10.22  15.09  #44
| 71>   H  11.53  9.37  15.52  #45
| 72>   H  10.88  10.8  15.3  #46
| 73>   O  10.44  5.78  10.65  #47
| 74>   H  11.35  6.06  10.65  #48
| 75>   H  10.47  4.83  10.64  #49
| 76>   O  16.79  9.89  10.44  #50
| 77>   H  17.36  9.09  10.65  #51
| 78>   H  16.64  10.16  11.35  #52
| 79>   O  15.43  9.32  13.23  #53
| 80>   H  14.9  9.11  13.93  #54
| 81>   H  16.14  9.73  13.68  #55
| 82>   O  7.57  8.09  9.78  #56
| 83>   H  7.98  7.64  10.55  #57
| 84>   H  6.65  7.79  9.69  #58
| 85>   O  10.74  15.37  8.92  #59
| 86>   H  10.48  15.26  9.81  #60
| 87>   H  11.03  14.44  8.73  #61
| 88>   O  13.96  12.84  8.74  #62
| 89>   H  12.99  12.74  8.92  #63
| 90>   H  14.39  12.8  9.6  #64
| 91>   O  13.28  6.21  10.8  #65
| 92>   H  14.11  6.69  10.79  #66
| 93>   H  13.22  5.57  11.52  #67
| 94>   O  15.04  8.83  8.46  #68
| 95>   H  15.66  9.5  8.81  #69
| 96>   H  14.02  9.02  8.46  #70
| 97>   O  16.3  6.68  9.33  #71
| 98>   H  17.18  6.48  9.63  #72
| 99>   H  16.05  7.61  9.25  #73
|100>   O  14.12  7.97  15.34  #74
|101>   H  14.55  8.07  16.18  #75
|102>   H  13.23  8.04  15.53  #76
|103>   O  9.89  11.67  6.45  #77
|104>   H  9.32  12.33  6.06  #78
|105>   H  10.71  11.56  5.91  #79
|106>   O  11.62  9.23  4.1  #80
|107>   H  11.28  8.54  4.72  #81
|108>   H  11.44  8.76  3.27  #82
|109>   O  6.37  9.05  12.79  #83
|110>   H  5.46  9.15  12.48  #84
|111>   H  6.95  8.6  12.09  #85
|112>   O  15.45  11.15  4.88  #86
|113>   H  15.71  11.82  4.22  #87
|114>   H  14.49  11.47  5.04  #88
|115>   O  10.68  5.77  14.62  #89
|116>   H  9.82  5.38  14.67  #90
|117>   H  11.15  5.26  13.97  #91
|118>   O  7.7  13.02  12.68  #92
|119>   H  7.52  13.71  12.01  #93
|120>   H  8.38  13.29  13.34  #94
|121>   O  11.95  14.07  4.9  #95
|122>   H  11.34  13.83  4.14  #96
|123>   H  12.26  13.19  5.21  #97
|124>   O  13.84  13.94  12.76  #98
|125>   H  12.94  13.99  13.17  #99
|126>   H  14.09  14.89  12.7  #100
|127>   O  8.49  8.08  16.43  #101
|128>   H  9.37  8.37  16.11  #102
|129>   H  7.92  8.76  16  #103
|130>   Q  0.6645  0.15$  13.96$  8.54$
|131>   Q  0.6645  1.72$  14.02$  8.04$
|132>   Q  -1.3290  0.9$  13.69$  8.14$
|133>   Q  0.6645  2.32$  7.55$  15.1$
|134>   Q  0.6645  1.52$  8.61$  14.7$
|135>   Q  -1.3290  2.15$  8.33$  15.13$
|136>   Q  0.6645  14.76$  14.69$  8.9$
|137>   Q  0.6645  14.39$  16.14$  9.15$
|138>   Q  -1.3290  14.75$  15.5$  8.74$
|139>   Q  0.6645  6.52$  13.76$  4.3$
|140>   Q  0.6645  5.26$  14.75$  4.17$
|141>   Q  -1.3290  5.71$  14.01$  4.05$
|142>   Q  0.6645  12.34$  3.77$  17.8$
|143>   Q  0.6645  13.73$  4.15$  17.24$
|144>   Q  -1.3290  13.16$  4.04$  17.84$
|145>   Q  0.6645  14.62$  16.7$  1.6$
|146>   Q  0.6645  14.46$  16.19$  3.03$
|147>   Q  -1.3290  14.33$  16.21$  2.18$
|148>   Q  0.6645  4.05$  11.39$  13.48$
|149>   Q  0.6645  3$  10.86$  14.51$
|150>   Q  -1.3290  3.7$  11.26$  14.24$
|151>   Q  0.6645  9.28$  6.41$  19.69$
|152>   Q  0.6645  8.85$  7.72$  18.95$
|153>   Q  -1.3290  9.18$  7.25$  19.57$
|154>   Q  0.6645  15.71$  13.82$  15.66$
|155>   Q  0.6645  15.08$  13.87$  14.25$
|156>   Q  -1.3290  15.72$  13.89$  14.82$
|157>   Q  0.6645  2.19$  7.93$  7.5$
|158>   Q  0.6645  3.68$  7.97$  7.15$
|159>   Q  -1.3290  2.98$  8.16$  7.59$
|160>   Q  0.6645  7.8$  15.72$  17.71$
|161>   Q  0.6645  8.5$  16.2$  16.5$
|162>   Q  -1.3290  8.47$  15.83$  17.25$
|163>   Q  0.6645  4.95$  15.61$  13.8$
|164>   Q  0.6645  6.31$  16.19$  13.49$
|165>   Q  -1.3290  5.48$  16.17$  13.42$
|166>   Q  0.6645  16.03$  11.43$  1.62$
|167>   Q  0.6645  15.61$  9.88$  2.12$
|168>   Q  -1.3290  16.15$  10.57$  1.84$
|169>   Q  0.6645  14.75$  1.44$  11.25$
|170>   Q  0.6645  15.5$  1.98$  12.42$
|171>   Q  -1.3290  15.08$  2.03$  11.71$
|172>   Q  0.6645  12.48$  13.76$  19.22$
|173>   Q  0.6645  11.16$  13.14$  19.09$
|174>   Q  -1.3290  11.81$  13.53$  18.8$
|175>   Q  0.6645  4.16$  8.45$  16.23$
|176>   Q  0.6645  5.18$  7.48$  15.83$
|177>   Q  -1.3290  4.83$  8$  16.37$
|178>   Q  0.6645  6.46$  18.68$  16.32$
|179>   Q  0.6645  7.72$  18.27$  15.65$
|180>   Q  -1.3290  7.28$  18.68$  16.2$
|181>   Q  0.6645  13.36$  9.26$  0.77$
|182>   Q  0.6645  13.33$  9.76$  -0.6$
|183>   Q  -1.3290  13.28$  9.85$  0.21$
|184>   Q  0.6645  16.42$  14.96$  17.44$
|185>   Q  0.6645  14.92$  15.12$  16.95$
|186>   Q  -1.3290  15.56$  14.8$  17.42$
|187>   Q  0.6645  15.06$  17.01$  5.42$
|188>   Q  0.6645  13.64$  16.36$  5.49$
|189>   Q  -1.3290  14.31$  16.76$  5.13$
|190>   Q  0.6645  9.3$  21$  16.27$
|191>   Q  0.6645  10.22$  19.78$  16.15$
|192>   Q  -1.3290  9.85$  20.5$  15.87$
|193>   Q  0.6645  3.74$  15.62$  10.84$
|194>   Q  0.6645  4.55$  16.54$  11.76$
|195>   Q  -1.3290  4.11$  16.33$  11.07$
|196>   Q  0.6645  15.58$  17.58$  15.41$
|197>   Q  0.6645  14.59$  18.62$  16.24$
|198>   Q  -1.3290  14.82$  17.95$  15.64$
|199>   Q  0.6645  11.91$  18.65$  8.09$
|200>   Q  0.6645  10.97$  19.48$  7.23$
|201>   Q  -1.3290  11.71$  19.19$  7.48$
|202>   Q  0.6645  10.64$  2.04$  11.92$
|203>   Q  0.6645  11.45$  1.26$  13.03$
|204>   Q  -1.3290  10.98$  1.9$  12.71$
|205>   Q  0.6645  16.41$  7.68$  13.42$
|206>   Q  0.6645  16.79$  6.22$  12.92$
|207>   Q  -1.3290  16.92$  6.99$  13.26$
|208>   Q  0.6645  16.05$  9.53$  5.32$
|209>   Q  0.6645  15.71$  8.95$  6.64$
|210>   Q  -1.3290  16.09$  8.94$  5.89$
|211>   Q  0.6645  4.45$  8.84$  10.32$
|212>   Q  0.6645  3.5$  9.91$  10.63$
|213>   Q  -1.3290  4.28$  9.63$  10.5$
|214>   Q  0.6645  10.35$  2.06$  15.9$
|215>   Q  0.6645  11.37$  1.62$  17.07$
|216>   Q  -1.3290  10.98$  2.16$  16.52$
|217>   Q  0.6645  17.21$  19.83$  6.81$
|218>   Q  0.6645  17.06$  18.61$  7.77$
|219>   Q  -1.3290  16.91$  19.39$  7.51$
|220>   Q  0.6645  14.31$  2.46$  15.32$
|221>   Q  0.6645  12.7$  2.48$  15.74$
|222>   Q  -1.3290  13.48$  2.76$  15.41$
|223>   Q  0.6645  7.05$  4.95$  3.88$
|224>   Q  0.6645  7.5$  4.83$  2.46$
|225>   Q  -1.3290  7.33$  5.24$  3.16$
|226>   Q  0.6645  8.81$  21.03$  13.99$
|227>   Q  0.6645  8.62$  21.89$  12.69$
|228>   Q  -1.3290  8.69$  21.18$  13.15$
|229>   Q  0.6645  6.62$  20.84$  6.83$
|230>   Q  0.6645  7.51$  20.03$  5.9$
|231>   Q  -1.3290  7.27$  20.72$  6.32$
|232>   Q  0.6645  4.86$  6.48$  10.48$
|233>   Q  0.6645  4$  6.83$  9.26$
|234>   Q  -1.3290  4.67$  6.88$  9.74$
|235>   Q  0.6645  6.69$  14.16$  0.67$
|236>   Q  0.6645  6.62$  15.12$  -0.51$
|237>   Q  -1.3290  6.93$  14.82$  0.21$
|238>   Q  0.6645  13.91$  6.67$  5.77$
|239>   Q  0.6645  15.21$  7.28$  5.3$
|240>   Q  -1.3290  14.58$  6.69$  5.29$
|241>   Q  0.6645  7.65$  10.5$  18.51$
|242>   Q  0.6645  9.1$  10.95$  18.98$
|243>   Q  -1.3290  8.3$  11.07$  18.68$
|244>   Q  0.6645  13.22$  8.64$  18.98$
|245>   Q  0.6645  13.21$  10.05$  18.59$
|246>   Q  -1.3290  13.14$  9.47$  19.15$
|247>   Q  0.6645  16$  7.75$  18.36$
|248>   Q  0.6645  15.6$  9.27$  18.02$
|249>   Q  -1.3290  15.71$  8.42$  17.89$
|250>   Q  0.6645  14.31$  14.86$  20.04$
|251>   Q  0.6645  14.51$  13.28$  20.2$
|252>   Q  -1.3290  14.16$  14.07$  20.34$
|253>   Q  0.6645  17.9$  8.02$  6.34$
|254>   Q  0.6645  19.05$  7.55$  5.74$
|255>   Q  -1.3290  18.57$  7.62$  6.36$
|256>   Q  0.6645  6.96$  0.12$  16.74$
|257>   Q  0.6645  7.99$  1.03$  16.11$
|258>   Q  -1.3290  7.68$  0.54$  16.72$
|259>   Q  0.6645  4.16$  14.9$  7.45$
|260>   Q  0.6645  4.23$  13.36$  7.68$
|261>   Q  -1.3290  3.91$  14.14$  7.75$
|262>   Q  0.6645  15.85$  4.16$  11.72$
|263>   Q  0.6645  16.01$  5.29$  10.83$
|264>   Q  -1.3290  16.14$  4.92$  11.53$
|265>   Q  0.6645  16.02$  16.18$  7.28$
|266>   Q  0.6645  17.42$  15.91$  6.79$
|267>   Q  -1.3290  16.75$  16.39$  6.9$
|268>   Q  0.6645  9.14$  2.08$  7.08$
|269>   Q  0.6645  8.64$  3.18$  8.02$
|270>   Q  -1.3290  8.66$  2.42$  7.65$
|271>   Q  0.6645  9.25$  19.04$  12.91$
|272>   Q  0.6645  8.33$  18.12$  12.08$
|273>   Q  -1.3290  8.95$  18.31$  12.64$
|274>   Q  0.6645  15.24$  13.61$  11.39$
|275>   Q  0.6645  16.45$  12.9$  10.92$
|276>   Q  -1.3290  15.79$  13.4$  10.84$
|277>   Q  0.6645  13.8$  3.31$  10.41$
|278>   Q  0.6645  13.66$  2.48$  9.13$
|279>   Q  -1.3290  13.57$  3.16$  9.6$
|280>   Q  0.6645  4.85$  7.1$  5.21$
|281>   Q  0.6645  5.33$  6.29$  6.42$
|282>   Q  -1.3290  4.76$  6.6$  5.91$
|283>   Q  0.6645  17.01$  18.51$  12.59$
|284>   Q  0.6645  16.32$  18.91$  11.28$
|285>   Q  -1.3290  16.64$  18.37$  11.86$
|286>   Q  0.6645  3.96$  13.28$  14.66$
|287>   Q  0.6645  3.71$  14.36$  15.62$
|288>   Q  -1.3290  3.95$  14.07$  14.91$
|289>   Q  0.6645  6.44$  10.44$  16.01$
|290>   Q  0.6645  6.94$  10.08$  14.6$
|291>   Q  -1.3290  7.01$  10.28$  15.42$
|292>   Q  0.6645  11.47$  14.81$  2.16$
|293>   Q  0.6645  11.01$  13.34$  1.81$
|294>   Q  -1.3290  11$  14.1$  2.22$
|295>   Q  0.6645  7.64$  7.2$  6.29$
|296>   Q  0.6645  8.02$  6.17$  7.32$
|297>   Q  -1.3290  7.54$  6.52$  6.71$
|298>   Q  0.6645  8.61$  9$  4.22$
|299>   Q  0.6645  7.27$  9.17$  4.91$
|300>   Q  -1.3290  7.99$  8.78$  4.74$
|301>   Q  0.6645  7.69$  1.24$  8.8$
|302>   Q  0.6645  6.38$  0.6$  9.39$
|303>   Q  -1.3290  7.23$  0.72$  9.31$
|304>   Q  0.6645  10.16$  10.27$  3.11$
|305>   Q  0.6645  8.71$  10.67$  3.61$
|306>   Q  -1.3290  9.3$  10.3$  3.12$
|307>   Q  0.6645  4.2$  17.88$  10.05$
|308>   Q  0.6645  3.22$  18.72$  9.27$
|309>   Q  -1.3290  3.97$  18.46$  9.45$
|310>   Q  0.6645  8.14$  2.92$  14.75$
|311>   Q  0.6645  9.09$  1.88$  14.01$
|312>   Q  -1.3290  8.6$  2.19$  14.66$
|313>   Q  0.6645  4.4$  16.89$  6.18$
|314>   Q  0.6645  3.76$  17.09$  7.58$
|315>   Q  -1.3290  4.33$  16.73$  7.02$
|316>   Q  0.6645  9.01$  17.87$  5.19$
|317>   Q  0.6645  10.01$  17.5$  6.38$
|318>   Q  -1.3290  9.31$  17.83$  6.02$
|319>   Q  0.6645  12.67$  15.94$  17.03$
|320>   Q  0.6645  13.47$  16.6$  15.88$
|321>   Q  -1.3290  13.1$  15.95$  16.31$
|322>   Q  0.6645  1.84$  14.55$  14.37$
|323>   Q  0.6645  0.49$  15.2$  13.76$
|324>   Q  -1.3290  1.03$  14.74$  14.29$
|325>   Q  0.6645  12.18$  6.78$  7.33$
|326>   Q  0.6645  12.9$  6.39$  8.64$
|327>   Q  -1.3290  12.67$  6.32$  7.83$
|328>   Q  0.6645  8.6$  10.95$  15.79$
|329>   Q  0.6645  9.06$  11.63$  17.04$
|330>   Q  -1.3290  9.13$  11.41$  16.23$
|331>   Q  0.6645  11.62$  21.11$  14.62$
|332>   Q  0.6645  13.05$  21.82$  14.2$
|333>   Q  -1.3290  12.21$  21.58$  14.14$
|334>   Q  0.6645  9.86$  14.43$  14.52$
|335>   Q  0.6645  9.08$  13.4$  15.39$
|336>   Q  -1.3290  9.21$  13.97$  14.76$
|337>   Q  0.6645  16.85$  6.13$  19.95$
|338>   Q  0.6645  17.94$  6.18$  19.02$
|339>   Q  -1.3290  17.17$  6.03$  19.22$
|340>   Q  0.6645  13.86$  8.35$  2.96$
|341>   Q  0.6645  14.91$  7.76$  1.96$
|342>   Q  -1.3290  14.45$  8.33$  2.35$
|343>   Q  0.6645  10.23$  21.22$  7.81$
|344>   Q  0.6645  8.98$  20.94$  6.93$
|345>   Q  -1.3290  9.79$  21.14$  7.1$
|346>   Q  0.6645  19.38$  11.86$  7.75$
|347>   Q  0.6645  17.86$  11.71$  7.75$
|348>   Q  -1.3290  18.64$  11.59$  8.05$
|349>   Q  0.6645  6.98$  20.78$  12.23$
|350>   Q  0.6645  6.45$  20.98$  10.79$
|351>   Q  -1.3290  6.44$  20.64$  11.58$
|352>   Q  0.6645  6.88$  3.23$  10.95$
|353>   Q  0.6645  5.69$  4.01$  10.73$
|354>   Q  -1.3290  6.38$  3.64$  10.45$
|355>   Q  0.6645  17.97$  7.4$  14.85$
|356>   Q  0.6645  17.72$  8.13$  16.3$
|357>   Q  -1.3290  18.18$  7.65$  15.7$
|358>   Q  0.6645  7.09$  14.67$  9.93$
|359>   Q  0.6645  6.69$  15.86$  10.99$
|360>   Q  -1.3290  7.08$  15.12$  10.68$
|361>   Q  0.6645  14.57$  14.05$  2.99$
|362>   Q  0.6645  14.42$  14.62$  4.37$
|363>   Q  -1.3290  14.82$  14.22$  3.78$
|364>   Q  0.6645  5.19$  5.31$  18.28$
|365>   Q  0.6645  4.5$  6.62$  17.96$
|366>   Q  -1.3290  4.54$  5.83$  18.26$
|367>   Q  0.6645  3.36$  9.2$  4.58$
|368>   Q  0.6645  2.75$  9.65$  5.99$
|369>   Q  -1.3290  3.17$  9.75$  5.25$
|370>   Q  0.6645  5.15$  19.64$  8.02$
|371>   Q  0.6645  4.41$  20.63$  7.1$
|372>   Q  -1.3290  4.95$  20.01$  7.29$
|373>   Q  0.6645  11.11$  20.11$  11.09$
|374>   Q  0.6645  11.97$  20.39$  12.45$
|375>   Q  -1.3290  11.69$  19.99$  11.72$
|376>   Q  0.6645  15.33$  16.02$  18.65$
|377>   Q  0.6645  15.93$  16.85$  19.72$
|378>   Q  -1.3290  15.28$  16.53$  19.29$
|379>   Q  0.6645  4.74$  17.51$  15.13$
|380>   Q  0.6645  3.83$  17.37$  16.3$
|381>   Q  -1.3290  4.31$  17.81$  15.78$
|382>   Q  0.6645  5.28$  17.05$  4.11$
|383>   Q  0.6645  3.91$  16.58$  3.71$
|384>   Q  -1.3290  4.6$  16.55$  4.19$
|385>   Q  0.6645  12.19$  16.72$  9.44$
|386>   Q  0.6645  12.95$  17.75$  10.27$
|387>   Q  -1.3290  12.75$  17.33$  9.57$
|388>   Q  0.6645  6.34$  16.83$  1.82$
|389>   Q  0.6645  6.78$  18.18$  2.45$
|390>   Q  -1.3290  6.23$  17.65$  2.09$
|391>   Q  0.6645  8.03$  6.13$  15.62$
|392>   Q  0.6645  7.76$  4.79$  16.13$
|393>   Q  -1.3290  7.87$  5.33$  15.53$
|394>   Q  0.6645  12.16$  19.47$  2.65$
|395>   Q  0.6645  11.73$  19.42$  1.13$
|396>   Q  -1.3290  11.67$  19.27$  1.98$
|397>   Q  0.6645  1.84$  12.03$  7.98$
|398>   Q  0.6645  2.15$  10.69$  8.67$
|399>   Q  -1.3290  2.07$  11.22$  8$
|400>   Q  0.6645  18.26$  9.67$  15.21$
|401>   Q  0.6645  18.03$  11.14$  14.68$
|402>   Q  -1.3290  17.83$  10.34$  14.86$
|403>   Q  0.6645  20.51$  14.76$  9.46$
|404>   Q  0.6645  19.99$  13.61$  10.23$
|405>   Q  -1.3290  20.56$  14.18$  10.05$
|406>   Q  0.6645  15.38$  7.98$  20.81$
|407>   Q  0.6645  14.32$  6.96$  20.28$
|408>   Q  -1.3290  14.98$  7.21$  20.78$
|409>   Q  0.6645  7.86$  4.75$  9.19$
|410>   Q  0.6645  9.27$  5.38$  9.17$
|411>   Q  -1.3290  8.66$  4.86$  8.9$
|412>   Q  0.6645  11.48$  10.52$  19.66$
|413>   Q  0.6645  10.92$  11.34$  20.84$
|414>   Q  -1.3290  10.94$  11.06$  20.04$
|415>   Q  0.6645  18.58$  16.01$  17.41$
|416>   Q  0.6645  18.22$  15.85$  15.95$
|417>   Q  -1.3290  18.3$  15.6$  16.74$
|418>   Q  0.6645  8.75$  8.49$  -0.66$
|419>   Q  0.6645  8.72$  9.84$  0.23$
|420>   Q  -1.3290  8.83$  8.99$  0.06$
|421>   Q  0.6645  3.9$  12.79$  4.27$
|422>   Q  0.6645  2.77$  11.69$  4.61$
|423>   Q  -1.3290  3.16$  12.36$  4.18$
|424>   Q  0.6645  12.08$  15.08$  14.8$
|425>   Q  0.6645  11.68$  15.53$  13.53$
|426>   Q  -1.3290  11.75$  14.95$  14.08$
|427>   Q  0.6645  18.94$  4.78$  10.08$
|428>   Q  0.6645  19.67$  5.73$  9.15$
|429>   Q  -1.3290  19.1$  5.52$  9.7$
|430>   Q  0.6645  0.4$  13.29$  11.12$
|431>   Q  0.6645  1.82$  13.08$  11.32$
|432>   Q  -1.3290  1.03$  12.86$  11.4$
|433>   Q  0.6645  20.45$  8.49$  9.69$
|434>   Q  0.6645  21.56$  7.44$  9.17$
|435>   Q  -1.3290  21.22$  8$  9.72$
|436>   Q  0.6645  9.44$  3.25$  19.47$
|437>   Q  0.6645  9.9$  4.07$  18.25$
|438>   Q  -1.3290  9.54$  3.92$  18.98$
|439>   Q  0.6645  7.28$  11.94$  22.08$
|440>   Q  0.6645  7.77$  11.79$  20.65$
|441>   Q  -1.3290  7.79$  11.64$  21.5$
|442>   Q  0.6645  12.14$  3.6$  12.65$
|443>   Q  0.6645  13.44$  4.2$  13.2$
|444>   Q  -1.3290  12.72$  4.21$  12.81$
|445>   Q  0.6645  5.18$  2.89$  13.69$
|446>   Q  0.6645  5.15$  1.97$  12.45$
|447>   Q  -1.3290  5.53$  2.43$  13.08$
|448>   Q  0.6645  4.01$  13.37$  11.12$
|449>   Q  0.6645  3.7$  13.99$  9.67$
|450>   Q  -1.3290  3.56$  13.78$  10.52$
|451>   Q  0.6645  3.07$  11.11$  19.16$
|452>   Q  0.6645  3.1$  9.55$  19.14$
|453>   Q  -1.3290  3.38$  10.35$  18.92$
|454>   Q  0.6645  18.75$  15.1$  12.03$
|455>   Q  0.6645  18.93$  14.36$  13.29$
|456>   Q  -1.3290  18.96$  15.01$  12.81$
|457>   Q  0.6645  1.82$  5.33$  12.68$
|458>   Q  0.6645  2.13$  4.06$  13.45$
|459>   Q  -1.3290  2.3$  4.8$  13.13$
|460>   Q  0.6645  16.38$  10.73$  16.56$
|461>   Q  0.6645  14.91$  11.29$  17.03$
|462>   Q  -1.3290  15.77$  11.09$  17.07$
|463>   Q  0.6645  17.51$  13.24$  14.64$
|464>   Q  0.6645  18.59$  13.12$  15.78$
|465>   Q  -1.3290  18.3$  13.09$  14.97$
|466>   Q  0.6645  21.05$  10.96$  11.99$
|467>   Q  0.6645  20.06$  9.96$  12.52$
|468>   Q  -1.3290  20.42$  10.71$  12.46$
|469>   Q  0.6645  19.09$  7.85$  11.2$
|470>   Q  0.6645  18.45$  7.75$  12.52$
|471>   Q  -1.3290  18.93$  8.12$  11.94$
|472>   Q  0.6645  14.24$  13.41$  0.49$
|473>   Q  0.6645  13.89$  12.22$  1.29$
|474>   Q  -1.3290  14.27$  12.94$  1.16$
|475>   Q  0.6645  11.44$  18.53$  13.18$
|476>   Q  0.6645  11.96$  17.84$  14.51$
|477>   Q  -1.3290  11.81$  17.94$  13.68$
|478>   Q  0.6645  5.89$  7.52$  20.74$
|479>   Q  0.6645  5.63$  7.36$  22.25$
|480>   Q  -1.3290  5.43$  7.32$  21.43$
|481>   Q  0.6645  11.59$  16.31$  18.97$
|482>   Q  0.6645  10.54$  15.75$  17.99$
|483>   Q  -1.3290  11.14$  16.27$  18.24$
|484>   Q  0.6645  8.51$  16.94$  13.93$
|485>   Q  0.6645  8.02$  15.58$  14.62$
|486>   Q  -1.3290  8.03$  16.43$  14.42$
|487>   Q  0.6645  17.31$  4.82$  16.45$
|488>   Q  0.6645  17.81$  3.29$  16.5$
|489>   Q  -1.3290  17.57$  4.04$  16.13$
|490>   Q  0.6645  6.96$  12.35$  5.74$
|491>   Q  0.6645  7.6$  13.74$  6.34$
|492>   Q  -1.3290  7.5$  13.03$  5.8$
|493>   Q  0.6645  5.93$  12.2$  12.32$
|494>   Q  0.6645  5.2$  11.16$  11.42$
|495>   Q  -1.3290  5.27$  11.82$  11.98$
|496>   Q  0.6645  14.13$  4.28$  7.54$
|497>   Q  0.6645  14.64$  4.6$  6.15$
|498>   Q  -1.3290  14.44$  4.1$  6.8$
|499>   Q  0.6645  8.77$  14.91$  7.8$
|500>   Q  0.6645  7.41$  15.53$  7.95$
|501>   Q  -1.3290  7.93$  14.89$  7.79$
|502>   Q  0.6645  7.53$  3.99$  18.47$
|503>   Q  0.6645  6.21$  3.5$  17.71$
|504>   Q  -1.3290  6.78$  4.09$  18.01$
|505>   Q  0.6645  16.76$  15.52$  14.49$
|506>   Q  0.6645  17.77$  16.25$  13.76$
|507>   Q  -1.3290  17.14$  16.2$  14.29$
|508>   Q  0.6645  19$  8.34$  8.09$
|509>   Q  0.6645  18.68$  9.67$  8.64$
|510>   Q  -1.3290  18.95$  8.89$  8.71$
|511>   Q  0.6645  7.36$  2.92$  5.86$
|512>   Q  0.6645  7.18$  4.45$  6.18$
|513>   Q  -1.3290  7.06$  3.7$  5.77$
|514>   Q  0.6645  11.41$  6.62$  0.64$
|515>   Q  0.6645  11.38$  5.3$  -0.28$
|516>   Q  -1.3290  11.7$  6.01$  0.07$
|517>   Q  0.6645  21.47$  7.36$  13.45$
|518>   Q  0.6645  20.72$  8.46$  14.23$
|519>   Q  -1.3290  21.41$  8.05$  13.97$
|520>   Q  0.6645  12.19$  4.74$  6.17$
|521>   Q  0.6645  11.57$  3.37$  5.66$
|522>   Q  -1.3290  11.77$  4.24$  5.62$
|523>   Q  0.6645  10.1$  2.81$  9.24$
|524>   Q  0.6645  11.57$  2.99$  9.64$
|525>   Q  -1.3290  10.75$  2.76$  9.77$
|526>   Q  0.6645  6$  12.98$  2.45$
|527>   Q  0.6645  5.5$  11.85$  1.53$
|528>   Q  -1.3290  5.96$  12.53$  1.75$
|529>   Q  0.6645  7.38$  1.9$  12.53$
|530>   Q  0.6645  7.72$  1.41$  11.07$
|531>   Q  -1.3290  7.89$  1.64$  11.86$
|532>   Q  0.6645  4.38$  11.06$  17.41$
|533>   Q  0.6645  4.71$  11.48$  15.97$
|534>   Q  -1.3290  4.77$  11.53$  16.79$
|535>   Q  0.6645  18.01$  15.42$  4.38$
|536>   Q  0.6645  16.7$  15.13$  3.69$
|537>   Q  -1.3290  17.45$  15.47$  3.75$
|538>   Q  0.6645  14.93$  17.19$  12.9$
|539>   Q  0.6645  13.42$  17.1$  12.93$
|540>   Q  -1.3290  14.22$  16.84$  12.73$
|541>   Q  0.6645  17.17$  13.91$  7.06$
|542>   Q  0.6645  18.63$  13.85$  6.53$
|543>   Q  -1.3290  17.82$  14.08$  6.55$
|544>   Q  0.6645  15.97$  11.66$  19.07$
|545>   Q  0.6645  15.69$  10.81$  20.34$
|546>   Q  -1.3290  15.79$  11.56$  19.9$
|547>   Q  0.6645  8.5$  15.96$  0.32$
|548>   Q  0.6645  9.84$  16.43$  0.76$
|549>   Q  -1.3290  9.04$  16.52$  0.62$
|550>   Q  0.6645  17.8$  14.73$  10.14$
|551>   Q  0.6645  17.14$  16.14$  10.63$
|552>   Q  -1.3290  17.77$  15.6$  10.44$
|553>   Q  0.6645  14.44$  6.03$  14.8$
|554>   Q  0.6645  14.05$  4.6$  15.1$
|555>   Q  -1.3290  14.56$  5.21$  14.91$
|556>   Q  0.6645  6.62$  6.32$  14.09$
|557>   Q  0.6645  6.06$  7.68$  13.61$
|558>   Q  -1.3290  6.05$  6.92$  14.04$
|559>   Q  0.6645  18.43$  11.87$  10.68$
|560>   Q  0.6645  19.03$  12.12$  12.03$
|561>   Q  -1.3290  18.58$  12.34$  11.35$
|562>   Q  0.6645  11.4$  17.32$  1.62$
|563>   Q  0.6645  12.69$  16.38$  1.32$
|564>   Q  -1.3290  11.85$  16.64$  1.24$
|565>   Q  0.6645  1.3$  10.98$  10.68$
|566>   Q  0.6645  0.95$  9.48$  10.38$
|567>   Q  -1.3290  1.47$  10.17$  10.44$
|568>   Q  0.6645  15.41$  12.35$  7.87$
|569>   Q  0.6645  16.04$  11.97$  6.53$
|570>   Q  -1.3290  16.03$  12.15$  7.37$
|571>   Q  0.6645  9.16$  5.7$  3.82$
|572>   Q  0.6645  10.46$  5.05$  4.06$
|573>   Q  -1.3290  9.99$  5.65$  3.79$
|574>   Q  0.6645  8.74$  18.65$  17.61$
|575>   Q  0.6645  9.76$  17.72$  18.3$
|576>   Q  -1.3290  9.21$  18.38$  18.25$
|577>   Q  0.6645  7.44$  17.85$  7.23$
|578>   Q  0.6645  5.94$  17.42$  7.57$
|579>   Q  -1.3290  6.77$  17.62$  7.74$
|580>   Q  0.6645  6.96$  17.78$  9.98$
|581>   Q  0.6645  6.69$  18.76$  11.12$
|582>   Q  -1.3290  6.99$  18.03$  10.78$
|583>   Q  0.6645  2.5$  17.44$  10.81$
|584>   Q  0.6645  1.18$  17.18$  11.45$
|585>   Q  -1.3290  1.71$  17.58$  10.95$
|586>   Q  0.6645  11.67$  10.61$  1.13$
|587>   Q  0.6645  10.16$  11.01$  1.24$
|588>   Q  -1.3290  11$  11.12$  1.31$
|589>   Q  0.6645  5.83$  8.47$  18.38$
|590>   Q  0.6645  5.57$  9.66$  19.31$
|591>   Q  -1.3290  6.02$  9.02$  19$
|592>   Q  0.6645  8.83$  17.44$  2.36$
|593>   Q  0.6645  9.59$  18.72$  2.58$
|594>   Q  -1.3290  8.99$  18.15$  2.76$
|595>   Q  0.6645  7.51$  8.37$  1.3$
|596>   Q  0.6645  7.1$  7.13$  2.24$
|597>   Q  -1.3290  6.97$  7.84$  1.78$
|598>   Q  0.6645  13.42$  18.59$  4.7$
|599>   Q  0.6645  12.33$  19.45$  5.07$
|600>   Q  -1.3290  13$  19.28$  4.64$
|601>   Q  0.6645  5.41$  3.41$  7.12$
|602>   Q  0.6645  5.31$  3.77$  8.59$
|603>   Q  -1.3290  5$  3.58$  7.83$
|604>   Q  0.6645  10.29$  22.17$  10.19$
|605>   Q  0.6645  9.34$  21.02$  9.82$
|606>   Q  -1.3290  10.09$  21.43$  9.81$
|607>   Q  0.6645  10.56$  7$  2.54$
|608>   Q  0.6645  10.22$  8.12$  1.52$
|609>   Q  -1.3290  10.73$  7.58$  1.94$
|610>   Q  0.6645  4.08$  4.97$  12.23$
|611>   Q  0.6645  5.16$  5.85$  12.53$
|612>   Q  -1.3290  4.73$  5.47$  12.01$
|613>   Q  0.6645  11.65$  15.97$  7.14$
|614>   Q  0.6645  11.58$  15.6$  5.68$
|615>   Q  -1.3290  11.64$  16.13$  6.34$
|616>   Q  0.6645  12.74$  19.14$  17.16$
|617>   Q  0.6645  11.63$  18.17$  17.33$
|618>   Q  -1.3290  12.01$  18.82$  16.99$
|619>   Q  0.6645  4.91$  10.61$  8.73$
|620>   Q  0.6645  3.95$  10.98$  7.72$
|621>   Q  -1.3290  4.64$  11.06$  8.11$
|622>   Q  0.6645  15.51$  20.75$  14.62$
|623>   Q  0.6645  14.72$  19.91$  13.53$
|624>   Q  -1.3290  14.88$  20.53$  14.1$
|625>   Q  0.6645  16.59$  1.5$  14.82$
|626>   Q  0.6645  16.51$  3.12$  14.87$
|627>   Q  -1.3290  16.26$  2.3$  14.64$
|628>   Q  0.6645  2.79$  13.74$  18.39$
|629>   Q  0.6645  4.09$  13.16$  17.76$
|630>   Q  -1.3290  3.57$  13.76$  18.04$
|631>   Q  0.6645  5.59$  8.09$  3.13$
|632>   Q  0.6645  4.23$  7.32$  3.2$
|633>   Q  -1.3290  4.78$  7.91$  3.43$
|634>   Q  0.6645  12.87$  20.91$  10.75$
|635>   Q  0.6645  13.35$  21.5$  9.39$
|636>   Q  -1.3290  13.3$  21.46$  10.26$
|637>   Q  0.6645  4.82$  4.62$  15.36$
|638>   Q  0.6645  4.57$  3.25$  16.21$
|639>   Q  -1.3290  4.66$  3.79$  15.53$
|640>   Q  0.6645  16.06$  20.34$  9.13$
|641>   Q  0.6645  15.08$  20.84$  10.17$
|642>   Q  -1.3290  15.8$  20.56$  9.93$
|643>   Q  0.6645  5.18$  10.64$  5.14$
|644>   Q  0.6645  5.76$  10.56$  6.52$
|645>   Q  -1.3290  5.83$  10.59$  5.69$
|646>   Q  0.6645  16.34$  4.52$  7.06$
|647>   Q  0.6645  17.64$  5.51$  6.98$
|648>   Q  -1.3290  17.15$  4.8$  6.79$
|649>   Q  0.6645  5.5$  19.18$  5.55$
|650>   Q  0.6645  5.88$  19.34$  4.08$
|651>   Q  -1.3290  5.89$  18.97$  4.83$
|652>   Q  0.6645  14.42$  21.85$  7.41$
|653>   Q  0.6645  13.16$  20.85$  7.33$
|654>   Q  -1.3290  13.67$  21.46$  7.67$
|655>   Q  0.6645  12.75$  12.34$  17.54$
|656>   Q  0.6645  12.69$  11.42$  16.25$
|657>   Q  -1.3290  13.01$  11.75$  16.97$
|658> *
|659> 
|660>                          ****END OF INPUT****
================================================================================

                     *******************************
                     * Energy+Gradient Calculation *
                     *******************************

---------------------------------
CARTESIAN COORDINATES (ANGSTROEM)
---------------------------------
  C     10.540000   11.800000    9.730000
  H      9.470000   12.110000    9.910000
  H     10.570000   10.780000    9.320000
  C     11.220000   11.850000   11.100000
  H     12.320000   11.680000   11.130000
  H     11.130000   12.930000   11.390000
  C     10.560000   10.980000   12.110000
  H      9.460000   11.120000   12.040000
  H     10.900000   11.280000   13.130000
  C     11.050000    9.550000   12.020000
  H     12.140000    9.550000   12.280000
  H     10.880000    9.040000   11.080000
  O     10.300000    8.860000   13.030000
  H     10.660000    9.250000   13.870000
  O     11.170000   12.780000    8.820000
  H     10.740000   12.630000    7.910000
  O     11.390000    7.830000   16.370000
  H     11.600000    7.550000   17.260000
  H     11.330000    7.070000   15.800000
  O      9.490000    8.860000    7.880000
  H      8.760000    8.650000    8.500000
  H      9.200000    9.540000    7.300000
  O      8.440000    7.050000   12.220000
  H      9.070000    6.430000   11.880000
  H      9.090000    7.660000   12.600000
  O     13.770000    9.210000   11.020000
  H     14.490000    8.820000   10.470000
  H     14.150000    9.400000   11.900000
  O     12.560000   11.130000    5.890000
  H     12.700000   11.050000    6.860000
  H     12.210000   10.230000    5.600000
  O     12.330000    9.390000    8.690000
  H     12.580000    9.290000    9.630000
  H     11.420000    9.150000    8.620000
  O     10.830000    7.510000    5.960000
  H     10.120000    7.760000    6.610000
  H     10.560000    6.740000    5.440000
  O     10.290000   15.720000   11.590000
  H     10.280000   16.630000   11.910000
  H      9.590000   15.290000   12.100000
  O     12.960000    6.530000   19.150000
  H     13.160000    5.590000   18.890000
  H     12.460000    6.490000   19.990000
  O     11.660000   10.220000   15.090000
  H     11.530000    9.370000   15.520000
  H     10.880000   10.800000   15.300000
  O     10.440000    5.780000   10.650000
  H     11.350000    6.060000   10.650000
  H     10.470000    4.830000   10.640000
  O     16.790000    9.890000   10.440000
  H     17.360000    9.090000   10.650000
  H     16.640000   10.160000   11.350000
  O     15.430000    9.320000   13.230000
  H     14.900000    9.110000   13.930000
  H     16.140000    9.730000   13.680000
  O      7.570000    8.090000    9.780000
  H      7.980000    7.640000   10.550000
  H      6.650000    7.790000    9.690000
  O     10.740000   15.370000    8.920000
  H     10.480000   15.260000    9.810000
  H     11.030000   14.440000    8.730000
  O     13.960000   12.840000    8.740000
  H     12.990000   12.740000    8.920000
  H     14.390000   12.800000    9.600000
  O     13.280000    6.210000   10.800000
  H     14.110000    6.690000   10.790000
  H     13.220000    5.570000   11.520000
  O     15.040000    8.830000    8.460000
  H     15.660000    9.500000    8.810000
  H     14.020000    9.020000    8.460000
  O     16.300000    6.680000    9.330000
  H     17.180000    6.480000    9.630000
  H     16.050000    7.610000    9.250000
  O     14.120000    7.970000   15.340000
  H     14.550000    8.070000   16.180000
  H     13.230000    8.040000   15.530000
  O      9.890000   11.670000    6.450000
  H      9.320000   12.330000    6.060000
  H     10.710000   11.560000    5.910000
  O     11.620000    9.230000    4.100000
  H     11.280000    8.540000    4.720000
  H     11.440000    8.760000    3.270000
  O      6.370000    9.050000   12.790000
  H      5.460000    9.150000   12.480000
  H      6.950000    8.600000   12.090000
  O     15.450000   11.150000    4.880000
  H     15.710000   11.820000    4.220000
  H     14.490000   11.470000    5.040000
  O     10.680000    5.770000   14.620000
  H      9.820000    5.380000   14.670000
  H     11.150000    5.260000   13.970000
  O      7.700000   13.020000   12.680000
  H      7.520000   13.710000   12.010000
  H      8.380000   13.290000   13.340000
  O     11.950000   14.070000    4.900000
  H     11.340000   13.830000    4.140000
  H     12.260000   13.190000    5.210000
  O     13.840000   13.940000   12.760000
  H     12.940000   13.990000   13.170000
  H     14.090000   14.890000   12.700000
  O      8.490000    8.080000   16.430000
  H      9.370000    8.370000   16.110000
  H      7.920000    8.760000   16.000000
  Q      0.150000   13.960000    8.540000
  Q      1.720000   14.020000    8.040000
  Q      0.900000   13.690000    8.140000
  Q      2.320000    7.550000   15.100000
  Q      1.520000    8.610000   14.700000
  Q      2.150000    8.330000   15.130000
  Q     14.760000   14.690000    8.900000
  Q     14.390000   16.140000    9.150000
  Q     14.750000   15.500000    8.740000
  Q      6.520000   13.760000    4.300000
  Q      5.260000   14.750000    4.170000
  Q      5.710000   14.010000    4.050000
  Q     12.340000    3.770000   17.800000
  Q     13.730000    4.150000   17.240000
  Q     13.160000    4.040000   17.840000
  Q     14.620000   16.700000    1.600000
  Q     14.460000   16.190000    3.030000
  Q     14.330000   16.210000    2.180000
  Q      4.050000   11.390000   13.480000
  Q      3.000000   10.860000   14.510000
  Q      3.700000   11.260000   14.240000
  Q      9.280000    6.410000   19.690000
  Q      8.850000    7.720000   18.950000
  Q      9.180000    7.250000   19.570000
  Q     15.710000   13.820000   15.660000
  Q     15.080000   13.870000   14.250000
  Q     15.720000   13.890000   14.820000
  Q      2.190000    7.930000    7.500000
  Q      3.680000    7.970000    7.150000
  Q      2.980000    8.160000    7.590000
  Q      7.800000   15.720000   17.710000
  Q      8.500000   16.200000   16.500000
  Q      8.470000   15.830000   17.250000
  Q      4.950000   15.610000   13.800000
  Q      6.310000   16.190000   13.490000
  Q      5.480000   16.170000   13.420000
  Q     16.030000   11.430000    1.620000
  Q     15.610000    9.880000    2.120000
  Q     16.150000   10.570000    1.840000
  Q     14.750000    1.440000   11.250000
  Q     15.500000    1.980000   12.420000
  Q     15.080000    2.030000   11.710000
  Q     12.480000   13.760000   19.220000
  Q     11.160000   13.140000   19.090000
  Q     11.810000   13.530000   18.800000
  Q      4.160000    8.450000   16.230000
  Q      5.180000    7.480000   15.830000
  Q      4.830000    8.000000   16.370000
  Q      6.460000   18.680000   16.320000
  Q      7.720000   18.270000   15.650000
  Q      7.280000   18.680000   16.200000
  Q     13.360000    9.260000    0.770000
  Q     13.330000    9.760000   -0.600000
  Q     13.280000    9.850000    0.210000
  Q     16.420000   14.960000   17.440000
  Q     14.920000   15.120000   16.950000
  Q     15.560000   14.800000   17.420000
  Q     15.060000   17.010000    5.420000
  Q     13.640000   16.360000    5.490000
  Q     14.310000   16.760000    5.130000
  Q      9.300000   21.000000   16.270000
  Q     10.220000   19.780000   16.150000
  Q      9.850000   20.500000   15.870000
  Q      3.740000   15.620000   10.840000
  Q      4.550000   16.540000   11.760000
  Q      4.110000   16.330000   11.070000
  Q     15.580000   17.580000   15.410000
  Q     14.590000   18.620000   16.240000
  Q     14.820000   17.950000   15.640000
  Q     11.910000   18.650000    8.090000
  Q     10.970000   19.480000    7.230000
  Q     11.710000   19.190000    7.480000
  Q     10.640000    2.040000   11.920000
  Q     11.450000    1.260000   13.030000
  Q     10.980000    1.900000   12.710000
  Q     16.410000    7.680000   13.420000
  Q     16.790000    6.220000   12.920000
  Q     16.920000    6.990000   13.260000
  Q     16.050000    9.530000    5.320000
  Q     15.710000    8.950000    6.640000
  Q     16.090000    8.940000    5.890000
  Q      4.450000    8.840000   10.320000
  Q      3.500000    9.910000   10.630000
  Q      4.280000    9.630000   10.500000
  Q     10.350000    2.060000   15.900000
  Q     11.370000    1.620000   17.070000
  Q     10.980000    2.160000   16.520000
  Q     17.210000   19.830000    6.810000
  Q     17.060000   18.610000    7.770000
  Q     16.910000   19.390000    7.510000
  Q     14.310000    2.460000   15.320000
  Q     12.700000    2.480000   15.740000
  Q     13.480000    2.760000   15.410000
  Q      7.050000    4.950000    3.880000
  Q      7.500000    4.830000    2.460000
  Q      7.330000    5.240000    3.160000
  Q      8.810000   21.030000   13.990000
  Q      8.620000   21.890000   12.690000
  Q      8.690000   21.180000   13.150000
  Q      6.620000   20.840000    6.830000
  Q      7.510000   20.030000    5.900000
  Q      7.270000   20.720000    6.320000
  Q      4.860000    6.480000   10.480000
  Q      4.000000    6.830000    9.260000
  Q      4.670000    6.880000    9.740000
  Q      6.690000   14.160000    0.670000
  Q      6.620000   15.120000   -0.510000
  Q      6.930000   14.820000    0.210000
  Q     13.910000    6.670000    5.770000
  Q     15.210000    7.280000    5.300000
  Q     14.580000    6.690000    5.290000
  Q      7.650000   10.500000   18.510000
  Q      9.100000   10.950000   18.980000
  Q      8.300000   11.070000   18.680000
  Q     13.220000    8.640000   18.980000
  Q     13.210000   10.050000   18.590000
  Q     13.140000    9.470000   19.150000
  Q     16.000000    7.750000   18.360000
  Q     15.600000    9.270000   18.020000
  Q     15.710000    8.420000   17.890000
  Q     14.310000   14.860000   20.040000
  Q     14.510000   13.280000   20.200000
  Q     14.160000   14.070000   20.340000
  Q     17.900000    8.020000    6.340000
  Q     19.050000    7.550000    5.740000
  Q     18.570000    7.620000    6.360000
  Q      6.960000    0.120000   16.740000
  Q      7.990000    1.030000   16.110000
  Q      7.680000    0.540000   16.720000
  Q      4.160000   14.900000    7.450000
  Q      4.230000   13.360000    7.680000
  Q      3.910000   14.140000    7.750000
  Q     15.850000    4.160000   11.720000
  Q     16.010000    5.290000   10.830000
  Q     16.140000    4.920000   11.530000
  Q     16.020000   16.180000    7.280000
  Q     17.420000   15.910000    6.790000
  Q     16.750000   16.390000    6.900000
  Q      9.140000    2.080000    7.080000
  Q      8.640000    3.180000    8.020000
  Q      8.660000    2.420000    7.650000
  Q      9.250000   19.040000   12.910000
  Q      8.330000   18.120000   12.080000
  Q      8.950000   18.310000   12.640000
  Q     15.240000   13.610000   11.390000
  Q     16.450000   12.900000   10.920000
  Q     15.790000   13.400000   10.840000
  Q     13.800000    3.310000   10.410000
  Q     13.660000    2.480000    9.130000
  Q     13.570000    3.160000    9.600000
  Q      4.850000    7.100000    5.210000
  Q      5.330000    6.290000    6.420000
  Q      4.760000    6.600000    5.910000
  Q     17.010000   18.510000   12.590000
  Q     16.320000   18.910000   11.280000
  Q     16.640000   18.370000   11.860000
  Q      3.960000   13.280000   14.660000
  Q      3.710000   14.360000   15.620000
  Q      3.950000   14.070000   14.910000
  Q      6.440000   10.440000   16.010000
  Q      6.940000   10.080000   14.600000
  Q      7.010000   10.280000   15.420000
  Q     11.470000   14.810000    2.160000
  Q     11.010000   13.340000    1.810000
  Q     11.000000   14.100000    2.220000
  Q      7.640000    7.200000    6.290000
  Q      8.020000    6.170000    7.320000
  Q      7.540000    6.520000    6.710000
  Q      8.610000    9.000000    4.220000
  Q      7.270000    9.170000    4.910000
  Q      7.990000    8.780000    4.740000
  Q      7.690000    1.240000    8.800000
  Q      6.380000    0.600000    9.390000
  Q      7.230000    0.720000    9.310000
  Q     10.160000   10.270000    3.110000
  Q      8.710000   10.670000    3.610000
  Q      9.300000   10.300000    3.120000
  Q      4.200000   17.880000   10.050000
  Q      3.220000   18.720000    9.270000
  Q      3.970000   18.460000    9.450000
  Q      8.140000    2.920000   14.750000
  Q      9.090000    1.880000   14.010000
  Q      8.600000    2.190000   14.660000
  Q      4.400000   16.890000    6.180000
  Q      3.760000   17.090000    7.580000
  Q      4.330000   16.730000    7.020000
  Q      9.010000   17.870000    5.190000
  Q     10.010000   17.500000    6.380000
  Q      9.310000   17.830000    6.020000
  Q     12.670000   15.940000   17.030000
  Q     13.470000   16.600000   15.880000
  Q     13.100000   15.950000   16.310000
  Q      1.840000   14.550000   14.370000
  Q      0.490000   15.200000   13.760000
  Q      1.030000   14.740000   14.290000
  Q     12.180000    6.780000    7.330000
  Q     12.900000    6.390000    8.640000
  Q     12.670000    6.320000    7.830000
  Q      8.600000   10.950000   15.790000
  Q      9.060000   11.630000   17.040000
  Q      9.130000   11.410000   16.230000
  Q     11.620000   21.110000   14.620000
  Q     13.050000   21.820000   14.200000
  Q     12.210000   21.580000   14.140000
  Q      9.860000   14.430000   14.520000
  Q      9.080000   13.400000   15.390000
  Q      9.210000   13.970000   14.760000
  Q     16.850000    6.130000   19.950000
  Q     17.940000    6.180000   19.020000
  Q     17.170000    6.030000   19.220000
  Q     13.860000    8.350000    2.960000
  Q     14.910000    7.760000    1.960000
  Q     14.450000    8.330000    2.350000
  Q     10.230000   21.220000    7.810000
  Q      8.980000   20.940000    6.930000
  Q      9.790000   21.140000    7.100000
  Q     19.380000   11.860000    7.750000
  Q     17.860000   11.710000    7.750000
  Q     18.640000   11.590000    8.050000
  Q      6.980000   20.780000   12.230000
  Q      6.450000   20.980000   10.790000
  Q      6.440000   20.640000   11.580000
  Q      6.880000    3.230000   10.950000
  Q      5.690000    4.010000   10.730000
  Q      6.380000    3.640000   10.450000
  Q     17.970000    7.400000   14.850000
  Q     17.720000    8.130000   16.300000
  Q     18.180000    7.650000   15.700000
  Q      7.090000   14.670000    9.930000
  Q      6.690000   15.860000   10.990000
  Q      7.080000   15.120000   10.680000
  Q     14.570000   14.050000    2.990000
  Q     14.420000   14.620000    4.370000
  Q     14.820000   14.220000    3.780000
  Q      5.190000    5.310000   18.280000
  Q      4.500000    6.620000   17.960000
  Q      4.540000    5.830000   18.260000
  Q      3.360000    9.200000    4.580000
  Q      2.750000    9.650000    5.990000
  Q      3.170000    9.750000    5.250000
  Q      5.150000   19.640000    8.020000
  Q      4.410000   20.630000    7.100000
  Q      4.950000   20.010000    7.290000
  Q     11.110000   20.110000   11.090000
  Q     11.970000   20.390000   12.450000
  Q     11.690000   19.990000   11.720000
  Q     15.330000   16.020000   18.650000
  Q     15.930000   16.850000   19.720000
  Q     15.280000   16.530000   19.290000
  Q      4.740000   17.510000   15.130000
  Q      3.830000   17.370000   16.300000
  Q      4.310000   17.810000   15.780000
  Q      5.280000   17.050000    4.110000
  Q      3.910000   16.580000    3.710000
  Q      4.600000   16.550000    4.190000
  Q     12.190000   16.720000    9.440000
  Q     12.950000   17.750000   10.270000
  Q     12.750000   17.330000    9.570000
  Q      6.340000   16.830000    1.820000
  Q      6.780000   18.180000    2.450000
  Q      6.230000   17.650000    2.090000
  Q      8.030000    6.130000   15.620000
  Q      7.760000    4.790000   16.130000
  Q      7.870000    5.330000   15.530000
  Q     12.160000   19.470000    2.650000
  Q     11.730000   19.420000    1.130000
  Q     11.670000   19.270000    1.980000
  Q      1.840000   12.030000    7.980000
  Q      2.150000   10.690000    8.670000
  Q      2.070000   11.220000    8.000000
  Q     18.260000    9.670000   15.210000
  Q     18.030000   11.140000   14.680000
  Q     17.830000   10.340000   14.860000
  Q     20.510000   14.760000    9.460000
  Q     19.990000   13.610000   10.230000
  Q     20.560000   14.180000   10.050000
  Q     15.380000    7.980000   20.810000
  Q     14.320000    6.960000   20.280000
  Q     14.980000    7.210000   20.780000
  Q      7.860000    4.750000    9.190000
  Q      9.270000    5.380000    9.170000
  Q      8.660000    4.860000    8.900000
  Q     11.480000   10.520000   19.660000
  Q     10.920000   11.340000   20.840000
  Q     10.940000   11.060000   20.040000
  Q     18.580000   16.010000   17.410000
  Q     18.220000   15.850000   15.950000
  Q     18.300000   15.600000   16.740000
  Q      8.750000    8.490000   -0.660000
  Q      8.720000    9.840000    0.230000
  Q      8.830000    8.990000    0.060000
  Q      3.900000   12.790000    4.270000
  Q      2.770000   11.690000    4.610000
  Q      3.160000   12.360000    4.180000
  Q     12.080000   15.080000   14.800000
  Q     11.680000   15.530000   13.530000
  Q     11.750000   14.950000   14.080000
  Q     18.940000    4.780000   10.080000
  Q     19.670000    5.730000    9.150000
  Q     19.100000    5.520000    9.700000
  Q      0.400000   13.290000   11.120000
  Q      1.820000   13.080000   11.320000
  Q      1.030000   12.860000   11.400000
  Q     20.450000    8.490000    9.690000
  Q     21.560000    7.440000    9.170000
  Q     21.220000    8.000000    9.720000
  Q      9.440000    3.250000   19.470000
  Q      9.900000    4.070000   18.250000
  Q      9.540000    3.920000   18.980000
  Q      7.280000   11.940000   22.080000
  Q      7.770000   11.790000   20.650000
  Q      7.790000   11.640000   21.500000
  Q     12.140000    3.600000   12.650000
  Q     13.440000    4.200000   13.200000
  Q     12.720000    4.210000   12.810000
  Q      5.180000    2.890000   13.690000
  Q      5.150000    1.970000   12.450000
  Q      5.530000    2.430000   13.080000
  Q      4.010000   13.370000   11.120000
  Q      3.700000   13.990000    9.670000
  Q      3.560000   13.780000   10.520000
  Q      3.070000   11.110000   19.160000
  Q      3.100000    9.550000   19.140000
  Q      3.380000   10.350000   18.920000
  Q     18.750000   15.100000   12.030000
  Q     18.930000   14.360000   13.290000
  Q     18.960000   15.010000   12.810000
  Q      1.820000    5.330000   12.680000
  Q      2.130000    4.060000   13.450000
  Q      2.300000    4.800000   13.130000
  Q     16.380000   10.730000   16.560000
  Q     14.910000   11.290000   17.030000
  Q     15.770000   11.090000   17.070000
  Q     17.510000   13.240000   14.640000
  Q     18.590000   13.120000   15.780000
  Q     18.300000   13.090000   14.970000
  Q     21.050000   10.960000   11.990000
  Q     20.060000    9.960000   12.520000
  Q     20.420000   10.710000   12.460000
  Q     19.090000    7.850000   11.200000
  Q     18.450000    7.750000   12.520000
  Q     18.930000    8.120000   11.940000
  Q     14.240000   13.410000    0.490000
  Q     13.890000   12.220000    1.290000
  Q     14.270000   12.940000    1.160000
  Q     11.440000   18.530000   13.180000
  Q     11.960000   17.840000   14.510000
  Q     11.810000   17.940000   13.680000
  Q      5.890000    7.520000   20.740000
  Q      5.630000    7.360000   22.250000
  Q      5.430000    7.320000   21.430000
  Q     11.590000   16.310000   18.970000
  Q     10.540000   15.750000   17.990000
  Q     11.140000   16.270000   18.240000
  Q      8.510000   16.940000   13.930000
  Q      8.020000   15.580000   14.620000
  Q      8.030000   16.430000   14.420000
  Q     17.310000    4.820000   16.450000
  Q     17.810000    3.290000   16.500000
  Q     17.570000    4.040000   16.130000
  Q      6.960000   12.350000    5.740000
  Q      7.600000   13.740000    6.340000
  Q      7.500000   13.030000    5.800000
  Q      5.930000   12.200000   12.320000
  Q      5.200000   11.160000   11.420000
  Q      5.270000   11.820000   11.980000
  Q     14.130000    4.280000    7.540000
  Q     14.640000    4.600000    6.150000
  Q     14.440000    4.100000    6.800000
  Q      8.770000   14.910000    7.800000
  Q      7.410000   15.530000    7.950000
  Q      7.930000   14.890000    7.790000
  Q      7.530000    3.990000   18.470000
  Q      6.210000    3.500000   17.710000
  Q      6.780000    4.090000   18.010000
  Q     16.760000   15.520000   14.490000
  Q     17.770000   16.250000   13.760000
  Q     17.140000   16.200000   14.290000
  Q     19.000000    8.340000    8.090000
  Q     18.680000    9.670000    8.640000
  Q     18.950000    8.890000    8.710000
  Q      7.360000    2.920000    5.860000
  Q      7.180000    4.450000    6.180000
  Q      7.060000    3.700000    5.770000
  Q     11.410000    6.620000    0.640000
  Q     11.380000    5.300000   -0.280000
  Q     11.700000    6.010000    0.070000
  Q     21.470000    7.360000   13.450000
  Q     20.720000    8.460000   14.230000
  Q     21.410000    8.050000   13.970000
  Q     12.190000    4.740000    6.170000
  Q     11.570000    3.370000    5.660000
  Q     11.770000    4.240000    5.620000
  Q     10.100000    2.810000    9.240000
  Q     11.570000    2.990000    9.640000
  Q     10.750000    2.760000    9.770000
  Q      6.000000   12.980000    2.450000
  Q      5.500000   11.850000    1.530000
  Q      5.960000   12.530000    1.750000
  Q      7.380000    1.900000   12.530000
  Q      7.720000    1.410000   11.070000
  Q      7.890000    1.640000   11.860000
  Q      4.380000   11.060000   17.410000
  Q      4.710000   11.480000   15.970000
  Q      4.770000   11.530000   16.790000
  Q     18.010000   15.420000    4.380000
  Q     16.700000   15.130000    3.690000
  Q     17.450000   15.470000    3.750000
  Q     14.930000   17.190000   12.900000
  Q     13.420000   17.100000   12.930000
  Q     14.220000   16.840000   12.730000
  Q     17.170000   13.910000    7.060000
  Q     18.630000   13.850000    6.530000
  Q     17.820000   14.080000    6.550000
  Q     15.970000   11.660000   19.070000
  Q     15.690000   10.810000   20.340000
  Q     15.790000   11.560000   19.900000
  Q      8.500000   15.960000    0.320000
  Q      9.840000   16.430000    0.760000
  Q      9.040000   16.520000    0.620000
  Q     17.800000   14.730000   10.140000
  Q     17.140000   16.140000   10.630000
  Q     17.770000   15.600000   10.440000
  Q     14.440000    6.030000   14.800000
  Q     14.050000    4.600000   15.100000
  Q     14.560000    5.210000   14.910000
  Q      6.620000    6.320000   14.090000
  Q      6.060000    7.680000   13.610000
  Q      6.050000    6.920000   14.040000
  Q     18.430000   11.870000   10.680000
  Q     19.030000   12.120000   12.030000
  Q     18.580000   12.340000   11.350000
  Q     11.400000   17.320000    1.620000
  Q     12.690000   16.380000    1.320000
  Q     11.850000   16.640000    1.240000
  Q      1.300000   10.980000   10.680000
  Q      0.950000    9.480000   10.380000
  Q      1.470000   10.170000   10.440000
  Q     15.410000   12.350000    7.870000
  Q     16.040000   11.970000    6.530000
  Q     16.030000   12.150000    7.370000
  Q      9.160000    5.700000    3.820000
  Q     10.460000    5.050000    4.060000
  Q      9.990000    5.650000    3.790000
  Q      8.740000   18.650000   17.610000
  Q      9.760000   17.720000   18.300000
  Q      9.210000   18.380000   18.250000
  Q      7.440000   17.850000    7.230000
  Q      5.940000   17.420000    7.570000
  Q      6.770000   17.620000    7.740000
  Q      6.960000   17.780000    9.980000
  Q      6.690000   18.760000   11.120000
  Q      6.990000   18.030000   10.780000
  Q      2.500000   17.440000   10.810000
  Q      1.180000   17.180000   11.450000
  Q      1.710000   17.580000   10.950000
  Q     11.670000   10.610000    1.130000
  Q     10.160000   11.010000    1.240000
  Q     11.000000   11.120000    1.310000
  Q      5.830000    8.470000   18.380000
  Q      5.570000    9.660000   19.310000
  Q      6.020000    9.020000   19.000000
  Q      8.830000   17.440000    2.360000
  Q      9.590000   18.720000    2.580000
  Q      8.990000   18.150000    2.760000
  Q      7.510000    8.370000    1.300000
  Q      7.100000    7.130000    2.240000
  Q      6.970000    7.840000    1.780000
  Q     13.420000   18.590000    4.700000
  Q     12.330000   19.450000    5.070000
  Q     13.000000   19.280000    4.640000
  Q      5.410000    3.410000    7.120000
  Q      5.310000    3.770000    8.590000
  Q      5.000000    3.580000    7.830000
  Q     10.290000   22.170000   10.190000
  Q      9.340000   21.020000    9.820000
  Q     10.090000   21.430000    9.810000
  Q     10.560000    7.000000    2.540000
  Q     10.220000    8.120000    1.520000
  Q     10.730000    7.580000    1.940000
  Q      4.080000    4.970000   12.230000
  Q      5.160000    5.850000   12.530000
  Q      4.730000    5.470000   12.010000
  Q     11.650000   15.970000    7.140000
  Q     11.580000   15.600000    5.680000
  Q     11.640000   16.130000    6.340000
  Q     12.740000   19.140000   17.160000
  Q     11.630000   18.170000   17.330000
  Q     12.010000   18.820000   16.990000
  Q      4.910000   10.610000    8.730000
  Q      3.950000   10.980000    7.720000
  Q      4.640000   11.060000    8.110000
  Q     15.510000   20.750000   14.620000
  Q     14.720000   19.910000   13.530000
  Q     14.880000   20.530000   14.100000
  Q     16.590000    1.500000   14.820000
  Q     16.510000    3.120000   14.870000
  Q     16.260000    2.300000   14.640000
  Q      2.790000   13.740000   18.390000
  Q      4.090000   13.160000   17.760000
  Q      3.570000   13.760000   18.040000
  Q      5.590000    8.090000    3.130000
  Q      4.230000    7.320000    3.200000
  Q      4.780000    7.910000    3.430000
  Q     12.870000   20.910000   10.750000
  Q     13.350000   21.500000    9.390000
  Q     13.300000   21.460000   10.260000
  Q      4.820000    4.620000   15.360000
  Q      4.570000    3.250000   16.210000
  Q      4.660000    3.790000   15.530000
  Q     16.060000   20.340000    9.130000
  Q     15.080000   20.840000   10.170000
  Q     15.800000   20.560000    9.930000
  Q      5.180000   10.640000    5.140000
  Q      5.760000   10.560000    6.520000
  Q      5.830000   10.590000    5.690000
  Q     16.340000    4.520000    7.060000
  Q     17.640000    5.510000    6.980000
  Q     17.150000    4.800000    6.790000
  Q      5.500000   19.180000    5.550000
  Q      5.880000   19.340000    4.080000
  Q      5.890000   18.970000    4.830000
  Q     14.420000   21.850000    7.410000
  Q     13.160000   20.850000    7.330000
  Q     13.670000   21.460000    7.670000
  Q     12.750000   12.340000   17.540000
  Q     12.690000   11.420000   16.250000
  Q     13.010000   11.750000   16.970000

----------------------------
CARTESIAN COORDINATES (A.U.)
----------------------------
  NO LB      ZA    FRAG     MASS         X           Y           Z
   0 C     6.0000    0    12.011   19.917713   22.298768   18.387035
   1 H     1.0000    0     1.008   17.895706   22.884583   18.727186
   2 H     1.0000    0     1.008   19.974405   20.371248   17.612248
   3 C     6.0000    0    12.011   21.202727   22.393255   20.975960
   4 H     1.0000    0     1.008   23.281426   22.072001   21.032652
   5 H     1.0000    0     1.008   21.032652   24.434159   21.523981
   6 C     6.0000    0    12.011   19.955508   20.749193   22.884583
   7 H     1.0000    0     1.008   17.876809   21.013755   22.752303
   8 H     1.0000    0     1.008   20.598015   21.316111   24.812104
   9 C     6.0000    0    12.011   20.881474   18.046885   22.714508
  10 H     1.0000    0     1.008   22.941275   18.046885   23.205837
  11 H     1.0000    0     1.008   20.560220   17.083124   20.938166
  12 O     8.0000    0    15.999   19.464179   16.742974   24.623132
  13 H     1.0000    0     1.008   20.144481   17.479967   26.210501
  14 O     8.0000    0    15.999   21.108241   24.150700   16.667385
  15 H     1.0000    0     1.008   20.295659   23.867241   14.947734
  16 O     8.0000    0    15.999   21.523981   14.796556   30.934817
  17 H     1.0000    0     1.008   21.920823   14.267432   32.616673
  18 H     1.0000    0     1.008   21.410597   13.360364   29.857673
  19 O     8.0000    0    15.999   17.933501   16.742974   14.891042
  20 H     1.0000    0     1.008   16.554001   16.346131   16.062672
  21 H     1.0000    0     1.008   17.385480   18.027987   13.795001
  22 O     8.0000    0    15.999   15.949289   13.322569   23.092453
  23 H     1.0000    0     1.008   17.139816   12.150939   22.449946
  24 H     1.0000    0     1.008   17.177611   14.475302   23.810549
  25 O     8.0000    0    15.999   26.021529   17.404378   20.824782
  26 H     1.0000    0     1.008   27.382132   16.667385   19.785433
  27 H     1.0000    0     1.008   26.739625   17.763426   22.487741
  28 O     8.0000    0    15.999   23.734960   21.032652   11.130487
  29 H     1.0000    0     1.008   23.999522   20.881474   12.963521
  30 H     1.0000    0     1.008   23.073556   19.331898   10.582466
  31 O     8.0000    0    15.999   23.300323   17.744528   16.421720
  32 H     1.0000    0     1.008   23.772755   17.555556   18.198063
  33 H     1.0000    0     1.008   21.580672   17.290994   16.289439
  34 O     8.0000    0    15.999   20.465734   14.191843   11.262768
  35 H     1.0000    0     1.008   19.124028   14.664275   12.491090
  36 H     1.0000    0     1.008   19.955508   12.736754   10.280110
  37 O     8.0000    0    15.999   19.445282   29.706495   21.901926
  38 H     1.0000    0     1.008   19.426385   31.426146   22.506638
  39 H     1.0000    0     1.008   18.122474   28.893913   22.865686
  40 O     8.0000    0    15.999   24.490851   12.339912   36.188255
  41 H     1.0000    0     1.008   24.868796   10.563569   35.696927
  42 H     1.0000    0     1.008   23.545988   12.264323   37.775625
  43 O     8.0000    0    15.999   22.034207   19.313001   28.515967
  44 H     1.0000    0     1.008   21.788542   17.706734   29.328550
  45 H     1.0000    0     1.008   20.560220   20.409042   28.912810
  46 O     8.0000    0    15.999   19.728741   10.922617   20.125583
  47 H     1.0000    0     1.008   21.448392   11.451740   20.125583
  48 H     1.0000    0     1.008   19.785433    9.127377   20.106686
  49 O     8.0000    0    15.999   31.728502   18.689391   19.728741
  50 H     1.0000    0     1.008   32.805646   17.177611   20.125583
  51 H     1.0000    0     1.008   31.445043   19.199618   21.448392
  52 O     8.0000    0    15.999   29.158474   17.612248   25.001077
  53 H     1.0000    0     1.008   28.156919   17.215405   26.323885
  54 H     1.0000    0     1.008   30.500180   18.387035   25.851454
  55 O     8.0000    0    15.999   14.305227   15.287884   18.481522
  56 H     1.0000    0     1.008   15.080015   14.437508   19.936611
  57 H     1.0000    0     1.008   12.566679   14.720967   18.311446
  58 O     8.0000    0    15.999   20.295659   29.045091   16.856357
  59 H     1.0000    0     1.008   19.804330   28.837221   18.538213
  60 H     1.0000    0     1.008   20.843679   27.287645   16.497309
  61 O     8.0000    0    15.999   26.380577   24.264084   16.516206
  62 H     1.0000    0     1.008   24.547542   24.075111   16.856357
  63 H     1.0000    0     1.008   27.193159   24.188495   18.141371
  64 O     8.0000    0    15.999   25.095563   11.735199   20.409042
  65 H     1.0000    0     1.008   26.664036   12.642268   20.390145
  66 H     1.0000    0     1.008   24.982179   10.525775   21.769645
  67 O     8.0000    0    15.999   28.421481   16.686282   15.987083
  68 H     1.0000    0     1.008   29.593111   17.952398   16.648487
  69 H     1.0000    0     1.008   26.493960   17.045330   15.987083
  70 O     8.0000    0    15.999   30.802536   12.623371   17.631145
  71 H     1.0000    0     1.008   32.465495   12.245425   18.198063
  72 H     1.0000    0     1.008   30.330104   14.380816   17.479967
  73 O     8.0000    0    15.999   26.682933   15.061117   28.988399
  74 H     1.0000    0     1.008   27.495515   15.250090   30.575769
  75 H     1.0000    0     1.008   25.001077   15.193398   29.347447
  76 O     8.0000    0    15.999   18.689391   22.053104   12.188734
  77 H     1.0000    0     1.008   17.612248   23.300323   11.451740
  78 H     1.0000    0     1.008   20.238967   21.845234   11.168281
  79 O     8.0000    0    15.999   21.958618   17.442172    7.747877
  80 H     1.0000    0     1.008   21.316111   16.138261    8.919507
  81 H     1.0000    0     1.008   21.618467   16.554001    6.179404
  82 O     8.0000    0    15.999   12.037555   17.102022   24.169597
  83 H     1.0000    0     1.008   10.317905   17.290994   23.583782
  84 H     1.0000    0     1.008   13.133597   16.251645   22.846789
  85 O     8.0000    0    15.999   29.196269   21.070446    9.221864
  86 H     1.0000    0     1.008   29.687598   22.336563    7.974644
  87 H     1.0000    0     1.008   27.382132   21.675159    9.524220
  88 O     8.0000    0    15.999   20.182275   10.903720   27.627796
  89 H     1.0000    0     1.008   18.557111   10.166727   27.722282
  90 H     1.0000    0     1.008   21.070446    9.939959   26.399474
  91 O     8.0000    0    15.999   14.550891   24.604234   23.961727
  92 H     1.0000    0     1.008   14.210741   25.908145   22.695611
  93 H     1.0000    0     1.008   15.835905   25.114460   25.208947
  94 O     8.0000    0    15.999   22.582227   26.588447    9.259658
  95 H     1.0000    0     1.008   21.429494   26.134912    7.823466
  96 H     1.0000    0     1.008   23.168042   24.925488    9.845473
  97 O     8.0000    0    15.999   26.153810   26.342782   24.112905
  98 H     1.0000    0     1.008   24.453056   26.437269   24.887693
  99 H     1.0000    0     1.008   26.626241   28.138022   23.999522
 100 O     8.0000    0    15.999   16.043775   15.268987   31.048200
 101 H     1.0000    0     1.008   17.706734   15.817008   30.443488
 102 H     1.0000    0     1.008   14.966631   16.554001   30.235618
 103 Q     0.6645    0     0.000    0.283459   26.380577   16.138261
 104 Q     0.6645    0     0.000    3.250329   26.493960   15.193398
 105 Q    -1.3290    0     0.000    1.700754   25.870351   15.382371
 106 Q     0.6645    0     0.000    4.384165   14.267432   28.534865
 107 Q     0.6645    0     0.000    2.872384   16.270542   27.778974
 108 Q    -1.3290    0     0.000    4.062911   15.741419   28.591556
 109 Q     0.6645    0     0.000   27.892358   27.760077   16.818563
 110 Q     0.6645    0     0.000   27.193159   30.500180   17.290994
 111 Q    -1.3290    0     0.000   27.873460   29.290755   16.516206
 112 Q     0.6645    0     0.000   12.321014   26.002632    8.125822
 113 Q     0.6645    0     0.000    9.939959   27.873460    7.880158
 114 Q    -1.3290    0     0.000   10.790336   26.475063    7.653391
 115 Q     0.6645    0     0.000   23.319220    7.124268   33.637125
 116 Q     0.6645    0     0.000   25.945940    7.842363   32.578879
 117 Q    -1.3290    0     0.000   24.868796    7.634494   33.712714
 118 Q     0.6645    0     0.000   27.627796   31.558426    3.023562
 119 Q     0.6645    0     0.000   27.325440   30.594666    5.725870
 120 Q    -1.3290    0     0.000   27.079775   30.632461    4.119603
 121 Q     0.6645    0     0.000    7.653391   21.523981   25.473508
 122 Q     0.6645    0     0.000    5.669178   20.522426   27.419926
 123 Q    -1.3290    0     0.000    6.991987   21.278316   26.909700
 124 Q     0.6645    0     0.000   17.536659   12.113145   37.208708
 125 Q     0.6645    0     0.000   16.724076   14.588686   35.810310
 126 Q    -1.3290    0     0.000   17.347686   13.700514   36.981940
 127 Q     0.6645    0     0.000   29.687598   26.116015   29.593111
 128 Q     0.6645    0     0.000   28.497070   26.210501   26.928597
 129 Q    -1.3290    0     0.000   29.706495   26.248296   28.005741
 130 Q     0.6645    0     0.000    4.138500   14.985528   14.172946
 131 Q     0.6645    0     0.000    6.954192   15.061117   13.511542
 132 Q    -1.3290    0     0.000    5.631384   15.420165   14.343021
 133 Q     0.6645    0     0.000   14.739864   29.706495   33.467050
 134 Q     0.6645    0     0.000   16.062672   30.613563   31.180481
 135 Q    -1.3290    0     0.000   16.005980   29.914365   32.597776
 136 Q     0.6645    0     0.000    9.354144   29.498625   26.078221
 137 Q     0.6645    0     0.000   11.924172   30.594666   25.492406
 138 Q    -1.3290    0     0.000   10.355699   30.556872   25.360125
 139 Q     0.6645    0     0.000   30.292310   21.599570    3.061356
 140 Q     0.6645    0     0.000   29.498625   18.670494    4.006219
 141 Q    -1.3290    0     0.000   30.519077   19.974405    3.477096
 142 Q     0.6645    0     0.000   27.873460    2.721206   21.259419
 143 Q     0.6645    0     0.000   29.290755    3.741658   23.470399
 144 Q    -1.3290    0     0.000   28.497070    3.836144   22.128693
 145 Q     0.6645    0     0.000   23.583782   26.002632   36.320536
 146 Q     0.6645    0     0.000   21.089344   24.831001   36.074872
 147 Q    -1.3290    0     0.000   22.317666   25.567995   35.526851
 148 Q     0.6645    0     0.000    7.861261   15.968186   30.670255
 149 Q     0.6645    0     0.000    9.788781   14.135151   29.914365
 150 Q    -1.3290    0     0.000    9.127377   15.117809   30.934817
 151 Q     0.6645    0     0.000   12.207631   35.300084   30.840331
 152 Q     0.6645    0     0.000   14.588686   34.525296   29.574214
 153 Q    -1.3290    0     0.000   13.757206   35.300084   30.613563
 154 Q     0.6645    0     0.000   25.246741   17.498864    1.455089
 155 Q     0.6645    0     0.000   25.190049   18.443727   -1.133836
 156 Q    -1.3290    0     0.000   25.095563   18.613802    0.396842
 157 Q     0.6645    0     0.000   31.029303   28.270303   32.956824
 158 Q     0.6645    0     0.000   28.194714   28.572659   32.030858
 159 Q    -1.3290    0     0.000   29.404139   27.967947   32.919029
 160 Q     0.6645    0     0.000   28.459276   32.144242   10.242316
 161 Q     0.6645    0     0.000   25.775864   30.915920   10.374596
 162 Q    -1.3290    0     0.000   27.041981   31.671810    9.694295
 163 Q     0.6645    0     0.000   17.574453   39.684249   30.745844
 164 Q     0.6645    0     0.000   19.313001   37.378783   30.519077
 165 Q    -1.3290    0     0.000   18.613802   38.739386   29.989954
 166 Q     0.6645    0     0.000    7.067576   29.517522   20.484631
 167 Q     0.6645    0     0.000    8.598254   31.256070   22.223179
 168 Q    -1.3290    0     0.000    7.766774   30.859228   20.919268
 169 Q     0.6645    0     0.000   29.441933   33.221385   29.120680
 170 Q     0.6645    0     0.000   27.571104   35.186701   30.689152
 171 Q    -1.3290    0     0.000   28.005741   33.920584   29.555317
 172 Q     0.6645    0     0.000   22.506638   35.243392   15.287884
 173 Q     0.6645    0     0.000   20.730296   36.811865   13.662720
 174 Q    -1.3290    0     0.000   22.128693   36.263845   14.135151
 175 Q     0.6645    0     0.000   20.106686    3.855041   22.525536
 176 Q     0.6645    0     0.000   21.637364    2.381055   24.623132
 177 Q    -1.3290    0     0.000   20.749193    3.590480   24.018419
 178 Q     0.6645    0     0.000   31.010406   14.513097   25.360125
 179 Q     0.6645    0     0.000   31.728502   11.754097   24.415262
 180 Q    -1.3290    0     0.000   31.974166   13.209186   25.057769
 181 Q     0.6645    0     0.000   30.330104   18.009090   10.053343
 182 Q     0.6645    0     0.000   29.687598   16.913049   12.547782
 183 Q    -1.3290    0     0.000   30.405693   16.894152   11.130487
 184 Q     0.6645    0     0.000    8.409281   16.705179   19.501974
 185 Q     0.6645    0     0.000    6.614041   18.727186   20.087789
 186 Q    -1.3290    0     0.000    8.088028   18.198063   19.842124
 187 Q     0.6645    0     0.000   19.558665    3.892836   30.046646
 188 Q     0.6645    0     0.000   21.486186    3.061356   32.257625
 189 Q    -1.3290    0     0.000   20.749193    4.081808   31.218276
 190 Q     0.6645    0     0.000   32.522187   37.473269   12.869035
 191 Q     0.6645    0     0.000   32.238728   35.167803   14.683172
 192 Q    -1.3290    0     0.000   31.955269   36.641790   14.191843
 193 Q     0.6645    0     0.000   27.041981    4.648726   28.950604
 194 Q     0.6645    0     0.000   23.999522    4.686521   29.744289
 195 Q    -1.3290    0     0.000   25.473508    5.215644   29.120680
 196 Q     0.6645    0     0.000   13.322569    9.354144    7.332137
 197 Q     0.6645    0     0.000   14.172946    9.127377    4.648726
 198 Q    -1.3290    0     0.000   13.851693    9.902165    5.971535
 199 Q     0.6645    0     0.000   16.648487   39.740941   26.437269
 200 Q     0.6645    0     0.000   16.289439   41.366105   23.980625
 201 Q    -1.3290    0     0.000   16.421720   40.024400   24.849899
 202 Q     0.6645    0     0.000   12.509987   39.381893   12.906829
 203 Q     0.6645    0     0.000   14.191843   37.851214   11.149384
 204 Q    -1.3290    0     0.000   13.738309   39.155125   11.943069
 205 Q     0.6645    0     0.000    9.184069   12.245425   19.804330
 206 Q     0.6645    0     0.000    7.558905   12.906829   17.498864
 207 Q    -1.3290    0     0.000    8.825021   13.001316   18.405933
 208 Q     0.6645    0     0.000   12.642268   26.758522    1.266117
 209 Q     0.6645    0     0.000   12.509987   28.572659   -0.963760
 210 Q    -1.3290    0     0.000   13.095802   28.005741    0.396842
 211 Q     0.6645    0     0.000   26.286091   12.604473   10.903720
 212 Q     0.6645    0     0.000   28.742734   13.757206   10.015549
 213 Q    -1.3290    0     0.000   27.552207   12.642268    9.996651
 214 Q     0.6645    0     0.000   14.456405   19.842124   34.978831
 215 Q     0.6645    0     0.000   17.196508   20.692501   35.867002
 216 Q    -1.3290    0     0.000   15.684727   20.919268   35.300084
 217 Q     0.6645    0     0.000   24.982179   16.327234   35.867002
 218 Q     0.6645    0     0.000   24.963282   18.991748   35.130009
 219 Q    -1.3290    0     0.000   24.831001   17.895706   36.188255
 220 Q     0.6645    0     0.000   30.235618   14.645378   34.695372
 221 Q     0.6645    0     0.000   29.479728   17.517761   34.052865
 222 Q    -1.3290    0     0.000   29.687598   15.911494   33.807201
 223 Q     0.6645    0     0.000   27.041981   28.081330   37.870112
 224 Q     0.6645    0     0.000   27.419926   25.095563   38.172468
 225 Q    -1.3290    0     0.000   26.758522   26.588447   38.437030
 226 Q     0.6645    0     0.000   33.826098   15.155604   11.980864
 227 Q     0.6645    0     0.000   35.999283   14.267432   10.847028
 228 Q    -1.3290    0     0.000   35.092214   14.399713   12.018658
 229 Q     0.6645    0     0.000   13.152494    0.226767   31.634015
 230 Q     0.6645    0     0.000   15.098912    1.946418   30.443488
 231 Q    -1.3290    0     0.000   14.513097    1.020452   31.596221
 232 Q     0.6645    0     0.000    7.861261   28.156919   14.078460
 233 Q     0.6645    0     0.000    7.993542   25.246741   14.513097
 234 Q    -1.3290    0     0.000    7.388829   26.720728   14.645378
 235 Q     0.6645    0     0.000   29.952159    7.861261   22.147590
 236 Q     0.6645    0     0.000   30.254515    9.996651   20.465734
 237 Q    -1.3290    0     0.000   30.500180    9.297453   21.788542
 238 Q     0.6645    0     0.000   30.273413   30.575769   13.757206
 239 Q     0.6645    0     0.000   32.919029   30.065543   12.831240
 240 Q    -1.3290    0     0.000   31.652913   30.972611   13.039110
 241 Q     0.6645    0     0.000   17.272097    3.930630   13.379261
 242 Q     0.6645    0     0.000   16.327234    6.009329   15.155604
 243 Q    -1.3290    0     0.000   16.365028    4.573137   14.456405
 244 Q     0.6645    0     0.000   17.479967   35.980386   24.396364
 245 Q     0.6645    0     0.000   15.741419   34.241838   22.827892
 246 Q    -1.3290    0     0.000   16.913049   34.600886   23.886138
 247 Q     0.6645    0     0.000   28.799426   25.719173   21.523981
 248 Q     0.6645    0     0.000   31.085995   24.377467   20.635809
 249 Q    -1.3290    0     0.000   29.838776   25.322330   20.484631
 250 Q     0.6645    0     0.000   26.078221    6.254994   19.672049
 251 Q     0.6645    0     0.000   25.813659    4.686521   17.253200
 252 Q    -1.3290    0     0.000   25.643584    5.971535   18.141371
 253 Q     0.6645    0     0.000    9.165172   13.417056    9.845473
 254 Q     0.6645    0     0.000   10.072240   11.886377   12.132042
 255 Q    -1.3290    0     0.000    8.995096   12.472192   11.168281
 256 Q     0.6645    0     0.000   32.144242   34.978831   23.791652
 257 Q     0.6645    0     0.000   30.840331   35.734721   21.316111
 258 Q    -1.3290    0     0.000   31.445043   34.714269   22.412152
 259 Q     0.6645    0     0.000    7.483315   25.095563   27.703385
 260 Q     0.6645    0     0.000    7.010884   27.136467   29.517522
 261 Q    -1.3290    0     0.000    7.464418   26.588447   28.175817
 262 Q     0.6645    0     0.000   12.169836   19.728741   30.254515
 263 Q     0.6645    0     0.000   13.114699   19.048439   27.590002
 264 Q    -1.3290    0     0.000   13.246980   19.426385   29.139577
 265 Q     0.6645    0     0.000   21.675159   27.986844    4.081808
 266 Q     0.6645    0     0.000   20.805885   25.208947    3.420404
 267 Q    -1.3290    0     0.000   20.786987   26.645138    4.195192
 268 Q     0.6645    0     0.000   14.437508   13.606028   11.886377
 269 Q     0.6645    0     0.000   15.155604   11.659610   13.832795
 270 Q    -1.3290    0     0.000   14.248535   12.321014   12.680062
 271 Q     0.6645    0     0.000   16.270542   17.007535    7.974644
 272 Q     0.6645    0     0.000   13.738309   17.328789    9.278555
 273 Q    -1.3290    0     0.000   15.098912   16.591795    8.957302
 274 Q     0.6645    0     0.000   14.531994    2.343260   16.629590
 275 Q     0.6645    0     0.000   12.056453    1.133836   17.744528
 276 Q    -1.3290    0     0.000   13.662720    1.360603   17.593350
 277 Q     0.6645    0     0.000   19.199618   19.407487    5.877048
 278 Q     0.6645    0     0.000   16.459515   20.163378    6.821911
 279 Q    -1.3290    0     0.000   17.574453   19.464179    5.895946
 280 Q     0.6645    0     0.000    7.936850   33.788303   18.991748
 281 Q     0.6645    0     0.000    6.084918   35.375673   17.517761
 282 Q    -1.3290    0     0.000    7.502213   34.884344   17.857912
 283 Q     0.6645    0     0.000   15.382371    5.518000   27.873460
 284 Q     0.6645    0     0.000   17.177611    3.552685   26.475063
 285 Q    -1.3290    0     0.000   16.251645    4.138500   27.703385
 286 Q     0.6645    0     0.000    8.314795   31.917474   11.678508
 287 Q     0.6645    0     0.000    7.105370   32.295420   14.324124
 288 Q    -1.3290    0     0.000    8.182514   31.615118   13.265877
 289 Q     0.6645    0     0.000   17.026432   33.769406    9.807679
 290 Q     0.6645    0     0.000   18.916159   33.070207   12.056453
 291 Q    -1.3290    0     0.000   17.593350   33.693817   11.376151
 292 Q     0.6645    0     0.000   23.942830   30.122235   32.182036
 293 Q     0.6645    0     0.000   25.454611   31.369454   30.008851
 294 Q    -1.3290    0     0.000   24.755412   30.141132   30.821433
 295 Q     0.6645    0     0.000    3.477096   27.495515   27.155365
 296 Q     0.6645    0     0.000    0.925966   28.723837   26.002632
 297 Q    -1.3290    0     0.000    1.946418   27.854563   27.004186
 298 Q     0.6645    0     0.000   23.016864   12.812343   13.851693
 299 Q     0.6645    0     0.000   24.377467   12.075350   16.327234
 300 Q    -1.3290    0     0.000   23.942830   11.943069   14.796556
 301 Q     0.6645    0     0.000   16.251645   20.692501   29.838776
 302 Q     0.6645    0     0.000   17.120919   21.977515   32.200933
 303 Q    -1.3290    0     0.000   17.253200   21.561775   30.670255
 304 Q     0.6645    0     0.000   21.958618   39.892119   27.627796
 305 Q     0.6645    0     0.000   24.660926   41.233824   26.834111
 306 Q    -1.3290    0     0.000   23.073556   40.780290   26.720728
 307 Q     0.6645    0     0.000   18.632700   27.268748   27.438823
 308 Q     0.6645    0     0.000   17.158713   25.322330   29.082885
 309 Q    -1.3290    0     0.000   17.404378   26.399474   27.892358
 310 Q     0.6645    0     0.000   31.841885   11.584021   37.700036
 311 Q     0.6645    0     0.000   33.901687   11.678508   35.942591
 312 Q    -1.3290    0     0.000   32.446598   11.395049   36.320536
 313 Q     0.6645    0     0.000   26.191604   15.779213    5.593589
 314 Q     0.6645    0     0.000   28.175817   14.664275    3.703863
 315 Q    -1.3290    0     0.000   27.306543   15.741419    4.440856
 316 Q     0.6645    0     0.000   19.331898   40.099989   14.758761
 317 Q     0.6645    0     0.000   16.969741   39.570865   13.095802
 318 Q    -1.3290    0     0.000   18.500419   39.948810   13.417056
 319 Q     0.6645    0     0.000   36.622892   22.412152   14.645378
 320 Q     0.6645    0     0.000   33.750509   22.128693   14.645378
 321 Q    -1.3290    0     0.000   35.224495   21.901926   15.212295
 322 Q     0.6645    0     0.000   13.190288   39.268509   23.111351
 323 Q     0.6645    0     0.000   12.188734   39.646454   20.390145
 324 Q    -1.3290    0     0.000   12.169836   39.003947   21.883029
 325 Q     0.6645    0     0.000   13.001316    6.103815   20.692501
 326 Q     0.6645    0     0.000   10.752542    7.577802   20.276761
 327 Q    -1.3290    0     0.000   12.056453    6.878603   19.747638
 328 Q     0.6645    0     0.000   33.958379   13.983973   28.062433
 329 Q     0.6645    0     0.000   33.485947   15.363473   30.802536
 330 Q    -1.3290    0     0.000   34.355221   14.456405   29.668700
 331 Q     0.6645    0     0.000   13.398158   27.722282   18.764981
 332 Q     0.6645    0     0.000   12.642268   29.971056   20.768090
 333 Q    -1.3290    0     0.000   13.379261   28.572659   20.182275
 334 Q     0.6645    0     0.000   27.533310   26.550652    5.650281
 335 Q     0.6645    0     0.000   27.249851   27.627796    8.258103
 336 Q    -1.3290    0     0.000   28.005741   26.871906    7.143165
 337 Q     0.6645    0     0.000    9.807679   10.034446   34.544194
 338 Q     0.6645    0     0.000    8.503768   12.509987   33.939481
 339 Q    -1.3290    0     0.000    8.579357   11.017103   34.506399
 340 Q     0.6645    0     0.000    6.349480   17.385480    8.654946
 341 Q     0.6645    0     0.000    5.196747   18.235857   11.319460
 342 Q    -1.3290    0     0.000    5.990432   18.424830    9.921062
 343 Q     0.6645    0     0.000    9.732090   37.114221   15.155604
 344 Q     0.6645    0     0.000    8.333692   38.985050   13.417056
 345 Q    -1.3290    0     0.000    9.354144   37.813420   13.776104
 346 Q     0.6645    0     0.000   20.994857   38.002393   20.957063
 347 Q     0.6645    0     0.000   22.620022   38.531516   23.527090
 348 Q    -1.3290    0     0.000   22.090899   37.775625   22.147590
 349 Q     0.6645    0     0.000   28.969502   30.273413   35.243392
 350 Q     0.6645    0     0.000   30.103337   31.841885   37.265399
 351 Q    -1.3290    0     0.000   28.875015   31.237173   36.452817
 352 Q     0.6645    0     0.000    8.957302   33.089105   28.591556
 353 Q     0.6645    0     0.000    7.237651   32.824543   30.802536
 354 Q    -1.3290    0     0.000    8.144720   33.656022   29.819878
 355 Q     0.6645    0     0.000    9.977754   32.219831    7.766774
 356 Q     0.6645    0     0.000    7.388829   31.331659    7.010884
 357 Q    -1.3290    0     0.000    8.692740   31.274968    7.917953
 358 Q     0.6645    0     0.000   23.035762   31.596221   17.839015
 359 Q     0.6645    0     0.000   24.471953   33.542639   19.407487
 360 Q    -1.3290    0     0.000   24.094008   32.748954   18.084679
 361 Q     0.6645    0     0.000   11.980864   31.804091    3.439302
 362 Q     0.6645    0     0.000   12.812343   34.355221    4.629829
 363 Q    -1.3290    0     0.000   11.772994   33.353666    3.949528
 364 Q     0.6645    0     0.000   15.174501   11.584021   29.517522
 365 Q     0.6645    0     0.000   14.664275    9.051788   30.481283
 366 Q    -1.3290    0     0.000   14.872145   10.072240   29.347447
 367 Q     0.6645    0     0.000   22.979070   36.792968    5.007774
 368 Q     0.6645    0     0.000   22.166488   36.698482    2.135391
 369 Q    -1.3290    0     0.000   22.053104   36.415023    3.741658
 370 Q     0.6645    0     0.000    3.477096   22.733405   15.080015
 371 Q     0.6645    0     0.000    4.062911   20.201172   16.383926
 372 Q    -1.3290    0     0.000    3.911733   21.202727   15.117809
 373 Q     0.6645    0     0.000   34.506399   18.273652   28.742734
 374 Q     0.6645    0     0.000   34.071762   21.051549   27.741180
 375 Q    -1.3290    0     0.000   33.693817   19.539768   28.081330
 376 Q     0.6645    0     0.000   38.758283   27.892358   17.876809
 377 Q     0.6645    0     0.000   37.775625   25.719173   19.331898
 378 Q    -1.3290    0     0.000   38.852769   26.796317   18.991748
 379 Q     0.6645    0     0.000   29.063988   15.080015   39.325201
 380 Q     0.6645    0     0.000   27.060878   13.152494   38.323646
 381 Q    -1.3290    0     0.000   28.308097   13.624925   39.268509
 382 Q     0.6645    0     0.000   14.853247    8.976199   17.366583
 383 Q     0.6645    0     0.000   17.517761   10.166727   17.328789
 384 Q    -1.3290    0     0.000   16.365028    9.184069   16.818563
 385 Q     0.6645    0     0.000   21.694056   19.879919   37.152016
 386 Q     0.6645    0     0.000   20.635809   21.429494   39.381893
 387 Q    -1.3290    0     0.000   20.673604   20.900371   37.870112
 388 Q     0.6645    0     0.000   35.111112   30.254515   32.900132
 389 Q     0.6645    0     0.000   34.430810   29.952159   30.141132
 390 Q    -1.3290    0     0.000   34.581988   29.479728   31.634015
 391 Q     0.6645    0     0.000   16.535104   16.043775   -1.247219
 392 Q     0.6645    0     0.000   16.478412   18.594905    0.434637
 393 Q    -1.3290    0     0.000   16.686282   16.988638    0.113384
 394 Q     0.6645    0     0.000    7.369932   24.169597    8.069131
 395 Q     0.6645    0     0.000    5.234541   22.090899    8.711637
 396 Q    -1.3290    0     0.000    5.971535   23.357015    7.899055
 397 Q     0.6645    0     0.000   22.827892   28.497070   27.967947
 398 Q     0.6645    0     0.000   22.072001   29.347447   25.567995
 399 Q    -1.3290    0     0.000   22.204282   28.251406   26.607344
 400 Q     0.6645    0     0.000   35.791413    9.032891   19.048439
 401 Q     0.6645    0     0.000   37.170913   10.828131   17.290994
 402 Q    -1.3290    0     0.000   36.093769   10.431288   18.330343
 403 Q     0.6645    0     0.000    0.755890   25.114460   21.013755
 404 Q     0.6645    0     0.000    3.439302   24.717618   21.391700
 405 Q    -1.3290    0     0.000    1.946418   24.301878   21.542878
 406 Q     0.6645    0     0.000   38.644899   16.043775   18.311446
 407 Q     0.6645    0     0.000   40.742495   14.059562   17.328789
 408 Q    -1.3290    0     0.000   40.099989   15.117809   18.368138
 409 Q     0.6645    0     0.000   17.839015    6.141610   36.792968
 410 Q     0.6645    0     0.000   18.708289    7.691185   34.487502
 411 Q    -1.3290    0     0.000   18.027987    7.407726   35.867002
 412 Q     0.6645    0     0.000   13.757206   22.563330   41.725153
 413 Q     0.6645    0     0.000   14.683172   22.279871   39.022845
 414 Q    -1.3290    0     0.000   14.720967   21.996412   40.629112
 415 Q     0.6645    0     0.000   22.941275    6.803014   23.905036
 416 Q     0.6645    0     0.000   25.397919    7.936850   24.944385
 417 Q    -1.3290    0     0.000   24.037316    7.955747   24.207392
 418 Q     0.6645    0     0.000    9.788781    5.461309   25.870351
 419 Q     0.6645    0     0.000    9.732090    3.722760   23.527090
 420 Q    -1.3290    0     0.000   10.450186    4.592035   24.717618
 421 Q     0.6645    0     0.000    7.577802   25.265638   21.013755
 422 Q     0.6645    0     0.000    6.991987   26.437269   18.273652
 423 Q    -1.3290    0     0.000    6.727425   26.040426   19.879919
 424 Q     0.6645    0     0.000    5.801459   20.994857   36.207153
 425 Q     0.6645    0     0.000    5.858151   18.046885   36.169358
 426 Q    -1.3290    0     0.000    6.387274   19.558665   35.753618
 427 Q     0.6645    0     0.000   35.432365   28.534865   22.733405
 428 Q     0.6645    0     0.000   35.772516   27.136467   25.114460
 429 Q    -1.3290    0     0.000   35.829207   28.364789   24.207392
 430 Q     0.6645    0     0.000    3.439302   10.072240   23.961727
 431 Q     0.6645    0     0.000    4.025117    7.672288   25.416817
 432 Q    -1.3290    0     0.000    4.346370    9.070685   24.812104
 433 Q     0.6645    0     0.000   30.953714   20.276761   31.293865
 434 Q     0.6645    0     0.000   28.175817   21.335008   32.182036
 435 Q    -1.3290    0     0.000   29.800981   20.957063   32.257625
 436 Q     0.6645    0     0.000   33.089105   25.019974   27.665591
 437 Q     0.6645    0     0.000   35.130009   24.793207   29.819878
 438 Q    -1.3290    0     0.000   34.581988   24.736515   28.289200
 439 Q     0.6645    0     0.000   39.778735   20.711398   22.657816
 440 Q     0.6645    0     0.000   37.907906   18.821672   23.659371
 441 Q    -1.3290    0     0.000   38.588208   20.238967   23.545988
 442 Q     0.6645    0     0.000   36.074872   14.834350   21.164933
 443 Q     0.6645    0     0.000   34.865447   14.645378   23.659371
 444 Q    -1.3290    0     0.000   35.772516   15.344576   22.563330
 445 Q     0.6645    0     0.000   26.909700   25.341227    0.925966
 446 Q     0.6645    0     0.000   26.248296   23.092453    2.437747
 447 Q    -1.3290    0     0.000   26.966392   24.453056    2.192082
 448 Q     0.6645    0     0.000   21.618467   35.016625   24.906590
 449 Q     0.6645    0     0.000   22.601125   33.712714   27.419926
 450 Q    -1.3290    0     0.000   22.317666   33.901687   25.851454
 451 Q     0.6645    0     0.000   11.130487   14.210741   39.192920
 452 Q     0.6645    0     0.000   10.639158   13.908384   42.046406
 453 Q    -1.3290    0     0.000   10.261213   13.832795   40.496831
 454 Q     0.6645    0     0.000   21.901926   30.821433   35.848105
 455 Q     0.6645    0     0.000   19.917713   29.763187   33.996173
 456 Q    -1.3290    0     0.000   21.051549   30.745844   34.468605
 457 Q     0.6645    0     0.000   16.081569   32.011961   26.323885
 458 Q     0.6645    0     0.000   15.155604   29.441933   27.627796
 459 Q    -1.3290    0     0.000   15.174501   31.048200   27.249851
 460 Q     0.6645    0     0.000   32.711159    9.108480   31.085995
 461 Q     0.6645    0     0.000   33.656022    6.217199   31.180481
 462 Q    -1.3290    0     0.000   33.202488    7.634494   30.481283
 463 Q     0.6645    0     0.000   13.152494   23.338118   10.847028
 464 Q     0.6645    0     0.000   14.361919   25.964837   11.980864
 465 Q    -1.3290    0     0.000   14.172946   24.623132   10.960412
 466 Q     0.6645    0     0.000   11.206076   23.054659   23.281426
 467 Q     0.6645    0     0.000    9.826576   21.089344   21.580672
 468 Q    -1.3290    0     0.000    9.958857   22.336563   22.638919
 469 Q     0.6645    0     0.000   26.701830    8.088028   14.248535
 470 Q     0.6645    0     0.000   27.665591    8.692740   11.621816
 471 Q    -1.3290    0     0.000   27.287645    7.747877   12.850138
 472 Q     0.6645    0     0.000   16.572898   28.175817   14.739864
 473 Q     0.6645    0     0.000   14.002871   29.347447   15.023323
 474 Q    -1.3290    0     0.000   14.985528   28.138022   14.720967
 475 Q     0.6645    0     0.000   14.229638    7.540007   34.903242
 476 Q     0.6645    0     0.000   11.735199    6.614041   33.467050
 477 Q    -1.3290    0     0.000   12.812343    7.728980   34.033968
 478 Q     0.6645    0     0.000   31.671810   29.328550   27.382132
 479 Q     0.6645    0     0.000   33.580433   30.708050   26.002632
 480 Q    -1.3290    0     0.000   32.389906   30.613563   27.004186
 481 Q     0.6645    0     0.000   35.904797   15.760316   15.287884
 482 Q     0.6645    0     0.000   35.300084   18.273652   16.327234
 483 Q    -1.3290    0     0.000   35.810310   16.799665   16.459515
 484 Q     0.6645    0     0.000   13.908384    5.518000   11.073795
 485 Q     0.6645    0     0.000   13.568234    8.409281   11.678508
 486 Q    -1.3290    0     0.000   13.341467    6.991987   10.903720
 487 Q     0.6645    0     0.000   21.561775   12.509987    1.209425
 488 Q     0.6645    0     0.000   21.505083   10.015549   -0.529123
 489 Q    -1.3290    0     0.000   22.109796   11.357254    0.132281
 490 Q     0.6645    0     0.000   40.572420   13.908384   25.416817
 491 Q     0.6645    0     0.000   39.155125   15.987083   26.890803
 492 Q    -1.3290    0     0.000   40.459037   15.212295   26.399474
 493 Q     0.6645    0     0.000   23.035762    8.957302   11.659610
 494 Q     0.6645    0     0.000   21.864131    6.368377   10.695850
 495 Q    -1.3290    0     0.000   22.242077    8.012439   10.620261
 496 Q     0.6645    0     0.000   19.086234    5.310130   17.461069
 497 Q     0.6645    0     0.000   21.864131    5.650281   18.216960
 498 Q    -1.3290    0     0.000   20.314556    5.215644   18.462624
 499 Q     0.6645    0     0.000   11.338357   24.528645    4.629829
 500 Q     0.6645    0     0.000   10.393494   22.393255    2.891281
 501 Q    -1.3290    0     0.000   11.262768   23.678268    3.307021
 502 Q     0.6645    0     0.000   13.946179    3.590480   23.678268
 503 Q     0.6645    0     0.000   14.588686    2.664514   20.919268
 504 Q    -1.3290    0     0.000   14.909939    3.099151   22.412152
 505 Q     0.6645    0     0.000    8.277000   20.900371   32.900132
 506 Q     0.6645    0     0.000    8.900610   21.694056   30.178926
 507 Q    -1.3290    0     0.000    9.013994   21.788542   31.728502
 508 Q     0.6645    0     0.000   34.033968   29.139577    8.277000
 509 Q     0.6645    0     0.000   31.558426   28.591556    6.973089
 510 Q    -1.3290    0     0.000   32.975721   29.234063    7.086473
 511 Q     0.6645    0     0.000   28.213611   32.484392   24.377467
 512 Q     0.6645    0     0.000   25.360125   32.314317   24.434159
 513 Q    -1.3290    0     0.000   26.871906   31.822988   24.056214
 514 Q     0.6645    0     0.000   32.446598   26.286091   13.341467
 515 Q     0.6645    0     0.000   35.205598   26.172707   12.339912
 516 Q    -1.3290    0     0.000   33.674920   26.607344   12.377706
 517 Q     0.6645    0     0.000   30.178926   22.034207   36.037077
 518 Q     0.6645    0     0.000   29.649803   20.427940   38.437030
 519 Q    -1.3290    0     0.000   29.838776   21.845234   37.605550
 520 Q     0.6645    0     0.000   16.062672   30.160029    0.604712
 521 Q     0.6645    0     0.000   18.594905   31.048200    1.436192
 522 Q    -1.3290    0     0.000   17.083124   31.218276    1.171630
 523 Q     0.6645    0     0.000   33.637125   27.835666   19.161823
 524 Q     0.6645    0     0.000   32.389906   30.500180   20.087789
 525 Q    -1.3290    0     0.000   33.580433   29.479728   19.728741
 526 Q     0.6645    0     0.000   27.287645   11.395049   27.967947
 527 Q     0.6645    0     0.000   26.550652    8.692740   28.534865
 528 Q    -1.3290    0     0.000   27.514413    9.845473   28.175817
 529 Q     0.6645    0     0.000   12.509987   11.943069   26.626241
 530 Q     0.6645    0     0.000   11.451740   14.513097   25.719173
 531 Q    -1.3290    0     0.000   11.432843   13.076905   26.531755
 532 Q     0.6645    0     0.000   34.827653   22.431049   20.182275
 533 Q     0.6645    0     0.000   35.961488   22.903481   22.733405
 534 Q    -1.3290    0     0.000   35.111112   23.319220   21.448392
 535 Q     0.6645    0     0.000   21.542878   32.730057    3.061356
 536 Q     0.6645    0     0.000   23.980625   30.953714    2.494438
 537 Q    -1.3290    0     0.000   22.393255   31.445043    2.343260
 538 Q     0.6645    0     0.000    2.456644   20.749193   20.182275
 539 Q     0.6645    0     0.000    1.795240   17.914604   19.615357
 540 Q    -1.3290    0     0.000    2.777897   19.218515   19.728741
 541 Q     0.6645    0     0.000   29.120680   23.338118   14.872145
 542 Q     0.6645    0     0.000   30.311207   22.620022   12.339912
 543 Q    -1.3290    0     0.000   30.292310   22.960173   13.927282
 544 Q     0.6645    0     0.000   17.309891   10.771439    7.218754
 545 Q     0.6645    0     0.000   19.766535    9.543117    7.672288
 546 Q    -1.3290    0     0.000   18.878364   10.676953    7.162062
 547 Q     0.6645    0     0.000   16.516206   35.243392   33.278077
 548 Q     0.6645    0     0.000   18.443727   33.485947   34.581988
 549 Q    -1.3290    0     0.000   17.404378   34.733166   34.487502
 550 Q     0.6645    0     0.000   14.059562   33.731611   13.662720
 551 Q     0.6645    0     0.000   11.224973   32.919029   14.305227
 552 Q    -1.3290    0     0.000   12.793446   33.296974   14.626480
 553 Q     0.6645    0     0.000   13.152494   33.599331   18.859467
 554 Q     0.6645    0     0.000   12.642268   35.451262   21.013755
 555 Q    -1.3290    0     0.000   13.209186   34.071762   20.371248
 556 Q     0.6645    0     0.000    4.724315   32.956824   20.427940
 557 Q     0.6645    0     0.000    2.229877   32.465495   21.637364
 558 Q    -1.3290    0     0.000    3.231432   33.221385   20.692501
 559 Q     0.6645    0     0.000   22.053104   20.049994    2.135391
 560 Q     0.6645    0     0.000   19.199618   20.805885    2.343260
 561 Q    -1.3290    0     0.000   20.786987   21.013755    2.475541
 562 Q     0.6645    0     0.000   11.017103   16.005980   34.733166
 563 Q     0.6645    0     0.000   10.525775   18.254754   36.490612
 564 Q    -1.3290    0     0.000   11.376151   17.045330   35.904797
 565 Q     0.6645    0     0.000   16.686282   32.956824    4.459754
 566 Q     0.6645    0     0.000   18.122474   35.375673    4.875493
 567 Q    -1.3290    0     0.000   16.988638   34.298529    5.215644
 568 Q     0.6645    0     0.000   14.191843   15.817008    2.456644
 569 Q     0.6645    0     0.000   13.417056   13.473747    4.232987
 570 Q    -1.3290    0     0.000   13.171391   14.815453    3.363713
 571 Q     0.6645    0     0.000   25.360125   35.130009    8.881713
 572 Q     0.6645    0     0.000   23.300323   36.755173    9.580911
 573 Q    -1.3290    0     0.000   24.566440   36.433920    8.768329
 574 Q     0.6645    0     0.000   10.223418    6.443966   13.454850
 575 Q     0.6645    0     0.000   10.034446    7.124268   16.232747
 576 Q    -1.3290    0     0.000    9.448631    6.765220   14.796556
 577 Q     0.6645    0     0.000   19.445282   41.895228   19.256309
 578 Q     0.6645    0     0.000   17.650042   39.722043   18.557111
 579 Q    -1.3290    0     0.000   19.067337   40.496831   18.538213
 580 Q     0.6645    0     0.000   19.955508   13.228083    4.799904
 581 Q     0.6645    0     0.000   19.313001   15.344576    2.872384
 582 Q    -1.3290    0     0.000   20.276761   14.324124    3.666069
 583 Q     0.6645    0     0.000    7.710083    9.391939   23.111351
 584 Q     0.6645    0     0.000    9.750987   11.054898   23.678268
 585 Q    -1.3290    0     0.000    8.938405   10.336802   22.695611
 586 Q     0.6645    0     0.000   22.015309   30.178926   13.492645
 587 Q     0.6645    0     0.000   21.883029   29.479728   10.733644
 588 Q    -1.3290    0     0.000   21.996412   30.481283   11.980864
 589 Q     0.6645    0     0.000   24.075111   36.169358   32.427700
 590 Q     0.6645    0     0.000   21.977515   34.336324   32.748954
 591 Q    -1.3290    0     0.000   22.695611   35.564646   32.106447
 592 Q     0.6645    0     0.000    9.278555   20.049994   16.497309
 593 Q     0.6645    0     0.000    7.464418   20.749193   14.588686
 594 Q    -1.3290    0     0.000    8.768329   20.900371   15.325679
 595 Q     0.6645    0     0.000   29.309652   39.211817   27.627796
 596 Q     0.6645    0     0.000   27.816769   37.624447   25.567995
 597 Q    -1.3290    0     0.000   28.119125   38.796078   26.645138
 598 Q     0.6645    0     0.000   31.350557    2.834589   28.005741
 599 Q     0.6645    0     0.000   31.199378    5.895946   28.100228
 600 Q    -1.3290    0     0.000   30.726947    4.346370   27.665591
 601 Q     0.6645    0     0.000    5.272336   25.964837   34.752064
 602 Q     0.6645    0     0.000    7.728980   24.868796   33.561536
 603 Q    -1.3290    0     0.000    6.746322   26.002632   34.090659
 604 Q     0.6645    0     0.000   10.563569   15.287884    5.914843
 605 Q     0.6645    0     0.000    7.993542   13.832795    6.047124
 606 Q    -1.3290    0     0.000    9.032891   14.947734    6.481761
 607 Q     0.6645    0     0.000   24.320775   39.514173   20.314556
 608 Q     0.6645    0     0.000   25.227844   40.629112   17.744528
 609 Q    -1.3290    0     0.000   25.133358   40.553523   19.388590
 610 Q     0.6645    0     0.000    9.108480    8.730535   29.026193
 611 Q     0.6645    0     0.000    8.636048    6.141610   30.632461
 612 Q    -1.3290    0     0.000    8.806124    7.162062   29.347447
 613 Q     0.6645    0     0.000   30.349002   38.437030   17.253200
 614 Q     0.6645    0     0.000   28.497070   39.381893   19.218515
 615 Q    -1.3290    0     0.000   29.857673   38.852769   18.764981
 616 Q     0.6645    0     0.000    9.788781   20.106686    9.713192
 617 Q     0.6645    0     0.000   10.884823   19.955508   12.321014
 618 Q    -1.3290    0     0.000   11.017103   20.012200   10.752542
 619 Q     0.6645    0     0.000   30.878125    8.541562   13.341467
 620 Q     0.6645    0     0.000   33.334769   10.412391   13.190288
 621 Q    -1.3290    0     0.000   32.408803    9.070685   12.831240
 622 Q     0.6645    0     0.000   10.393494   36.244947   10.487980
 623 Q     0.6645    0     0.000   11.111590   36.547303    7.710083
 624 Q    -1.3290    0     0.000   11.130487   35.848105    9.127377
 625 Q     0.6645    0     0.000   27.249851   41.290516   14.002871
 626 Q     0.6645    0     0.000   24.868796   39.400790   13.851693
 627 Q    -1.3290    0     0.000   25.832556   40.553523   14.494199
 628 Q     0.6645    0     0.000   24.094008   23.319220   33.145796
 629 Q     0.6645    0     0.000   23.980625   21.580672   30.708050
 630 Q    -1.3290    0     0.000   24.585337   22.204282   32.068652

--------------------------------
INTERNAL COORDINATES (ANGSTROEM)
--------------------------------
 C      0   0   0     0.000000000000     0.00000000     0.00000000
 H      1   0   0     1.128450264744     0.00000000     0.00000000
 H      1   2   0     1.099727238910   109.88493811     0.00000000
 C      1   2   3     1.530294089383   105.63834131   240.66592167
 H      4   1   2     1.113463066294   117.26576424   186.25516219
 H      4   1   2     1.121873433147   103.13378380   298.19010393
 C      4   1   2     1.487481092317   113.05429444    57.66625445
 H      7   4   1     1.111080555135   108.83251714   315.26311931
 H      7   4   1     1.116243700990   109.15442823   196.42971204
 C      7   4   1     1.514298517466   111.61649699    84.32832232
 H     10   7   4     1.120580206857   107.51538179    64.26734850
 H     10   7   4     1.082866566111   116.45832141   299.38862576
 O     10   7   4     1.434817061510   104.07247482   181.15297591
 H     13  10   7     0.993629709701   102.52993022   292.11094963
 O      1   2   3     1.478309845736   108.67294078   122.80313914
 H     15   1   2     1.017595204391   105.82387406   289.53929490
 O     14  13  10     2.966361407516   127.86098819   223.21556491
 H     17  14  13     0.956347217280   168.09958566   202.12088341
 H     17  14  13     0.951892851113    82.06919692    14.29117825
 O      3   1   2     2.631805463935   150.39392926    31.25694989
 H     20   3   1     0.980510071340    96.64924997   288.79257895
 H     20   3   1     0.939627585802    86.35532707    36.90499992
 O     13  10   7     2.718786494008   117.90704563   111.28817990
 H     23  13  10     0.947048045244    95.03103903    68.21825652
 H     23  13  10     0.969020123630     5.83684492   169.28062351
 O     11  10   7     2.088085247302   128.26566999   250.02051220
 H     26  11  10     0.986407623653   166.07826435   276.22564361
 H     26  11  10     0.977189848494    74.24598004   178.37714279
 O     16  15   1     3.105285816153   113.90760393   255.55048054
 H     29  16  15     0.983310734204    58.73801189    22.87218443
 H     29  16  15     1.008265837961   114.50834004   116.20784772
 O      3   1   2     2.329506385482   132.44416002   180.57134016
 H     32   3   1     0.977803661274    89.66796533    69.97686539
 H     32   3   1     0.943716058992    56.17039264   180.78306135
 O     20   3   1     2.702683851286   123.34274986   129.72784476
 H     35  20   3     0.994535067255    19.29714043   168.71665530
 H     35  20   3     0.967574286554   129.86227752   173.28551740
 O      6   4   1     2.920565013829   163.82468941    20.85558720
 H     38   6   4     0.964676111449   157.94863904   178.16475477
 H     38   6   4     0.966953980291    79.60196881    77.27757251
 O     18  17  19     2.542066088834   157.95131470    64.14589752
 H     41  18  17     0.995590277172   106.98696201   302.57149918
 H     41  18  17     0.978365984691   112.41622032   185.69417963
 O     14  13  10     1.851836925866   163.37255020   355.05964516
 H     44  14  13     0.961405221538    76.02684541   219.75713230
 H     44  14  13     0.994434512675    91.20727878   111.11914701
 O     24  23  13     1.952511203553   155.62513037   291.48828894
 H     47  24  23     0.952102935611   124.94080642    76.60067391
 H     47  24  23     0.950526170076   111.19192928   204.62348756
 O     27  26  28     2.536887857198   120.10573678   313.78719382
 H     50  27  26     1.004489920308   100.14149437   127.99177867
 H     50  27  26     0.960989073819    88.03955931    31.66904664
 O     28  26  11     1.847620090820   155.39972507   154.07945091
 H     53  28  26     0.902773504263    99.29469742   227.43482740
 H     53  28  26     0.935253976201   148.57260150   100.05470283
 O     21  20   3     1.835238404132   171.54230061   272.92342566
 H     56  21  20     0.981580358402   114.59292150    16.23101313
 H     56  21  20     0.971853898485   130.04759431   227.60278561
 O     15   1   2     2.627356085497   124.07777294    38.80834505
 H     59  15   1     0.933702308019    88.03538994    22.58366938
 H     59  15   1     0.992522040058    11.82159005   178.55347267
 O     15   1   2     2.791791539496   117.24365223   161.70564890
 H     62  15   1     0.991614844584     9.95508508   340.16663783
 H     62  15   1     0.962340895941   114.83705089   315.91151599
 O     48  47  24     1.941623032414   166.60029461   110.30916448
 H     65  48  47     0.958853482029   153.93593184   188.48185128
 H     65  48  47     0.965194280961    86.82486175   330.07400568
 O     27  26  28     2.083914585582   136.76499164   212.82106092
 H     68  27  26     0.977650244208    79.94231921   100.21058233
 H     68  27  26     1.037545179739    75.01390951   335.39006090
 O     66  65  48     2.632071427602   136.39526507   243.87303817
 H     71  66  65     0.950999474237   126.56551911   241.88487029
 H     71  66  65     0.966333275842    80.03812642   124.41949876
 O     54  53  28     1.973854097952   156.95992891   107.60636192
 H     74  54  53     0.948946784599   113.10399779    95.53607737
 H     74  54  53     0.912743118298   119.32253709   218.95395793
 O     16  15   1     1.943116054177   158.37229119   329.29765525
 H     77  16  15     0.955300999685   103.08656604   148.13294911
 H     77  16  15     0.987977732543    95.88990284   260.72684983
 O     31  29  16     1.896865836057   143.70637023   117.94695721
 H     80  31  29     0.987977732543    88.79533281   191.78726973
 H     80  31  29     0.970669871790   171.54090029    51.07811739
 O     23  13  10     2.934246070118    88.33711214   257.49280781
 H     83  23  13     0.966540221615   132.25335132   158.90773694
 H     83  23  13     1.014347080639    32.87864063    99.05394558
 O     29  16  15     3.061470235034   139.88214184   314.75424210
 H     86  29  16     0.975756117070   118.63121241   280.38419756
 H     86  29  16     1.024499877989    20.92609004   292.31571065
 O     19  17  14     1.872137815440   162.50056067   300.83362369
 H     89  19  17     0.945621488758   124.66793279   319.31786845
 H     89  19  17     0.950526170076   129.19143130   151.10089129
 O      8   7   4     2.667808089050   136.69922786   287.56226665
 H     92   8   7     0.978468190592   117.34340966    88.10394532
 H     92   8   7     0.985342580020    84.29304119   335.00909816
 O     79  77  16     2.976205638057   115.93720139   295.76371704
 H     95  79  77     1.003643362953    78.58458372   268.52895011
 H     95  79  77     0.983158176490    43.07173310   145.89898483
 O      5   4   1     3.174098297155   112.22310609   129.42114310
 H     98   5   4     0.990252493054    79.24210792    25.06160935
 H     98   5   4     0.984174781225   141.04370808   289.28028085
 O     17  14  13     2.911374245953    74.40304579   280.97326265
 H    101  17  14     0.980255068847    28.89081380   337.92072944
 H    101  17  14     0.986002028395   128.76051917   333.40924947
 Q     93  92   8     8.149865029557   118.65506861   112.32026323
 Q    104  93  92     1.648787433237    43.04117659   226.98065431
 Q    105 104  93     0.889550448260    22.27798106   112.26900483
 Q     84  83  23     4.391355143916   116.36957522    96.34871494
 Q    107  84  83     1.386939075807    87.81696975   144.79694775
 Q    107  84  83     0.798874207870    79.56158188   114.81496013
 Q     62  15   1     2.021905042281   114.38143222   228.41362078
 Q    110  62  15     1.517201370946   142.27903255     5.77223269
 Q    110  62  15     0.825711814134   151.33539028   322.73029034
 Q     78  77  16     3.603123644839   159.60057369   208.39826001
 Q    113  78  77     1.607669120186   153.24566740   124.62090672
 Q    114 113  78     0.874356906532    24.01497460   216.72104667
 Q     42  41  18     2.274401020049   143.92623492   325.52837641
 Q    116  42  41     1.545994825347    69.68087669   125.90264967
 Q    117 116  42     0.834865258590    24.96521757    38.99002317
 Q     95  79  77     4.993575873059   153.02584712   209.06387917
 Q    119  95  79     1.526630276131    31.67890910   241.09429793
 Q    119  95  79     0.812773031049    11.51170057   286.67849650
 Q     84  83  23     2.829434572490   115.95942671   180.34039071
 Q    122  84  83     1.563425725770   107.40624280   252.70930389
 Q    122  84  83     0.846758525201   113.68156995   276.30387018
 Q     43  41  18     3.195121280953   115.40709446    25.15466967
 Q    125  43  41     1.564800306748   107.27367840   299.68930748
 Q    126 125  43     0.845103543952    23.09875947   297.06686736
 Q     98   5   4     3.452723562639   131.75430087   116.77669684
 Q    128  98   5     1.545153714036     8.73568711    98.82834737
 Q    128  98   5     0.842970936628    33.54857227   105.19915610
 Q     58  56  21     4.970643821478   151.82391723   326.45467684
 Q    131  58  56     1.531078051570    39.48941059    40.64166771
 Q    131  58  56     0.827707677867    26.30189777     1.77345678
 Q     94  92   8     5.033706387941   129.36538786   206.04531561
 Q    134  94  92     1.478005412710    52.51738203   245.59998851
 Q    134  94  92     0.820121942153    58.91426733   213.46542941
 Q     93  92   8     3.663195326488    99.21999370   177.36417903
 Q    137  93  92     1.510662106495    57.80926894   113.34396826
 Q    138 137  93     0.833186653758    27.27717166   116.30728735
 Q     87  86  29     2.648490135908   126.51961508   257.57196707
 Q    140  87  86     1.681933411286    79.26292144   359.35570799
 Q    140  87  86     0.895767827062    85.20775571   337.51067888
 Q     67  65  48     4.412561614301   123.60188786   111.01860300
 Q    143  67  65     1.490972836775    77.72610572   122.02630923
 Q    143  67  65     0.817679643870    55.26127749   109.76704127
 Q    128  98   5     4.807296537556   104.98267776   279.78806843
 Q    146 128  98     1.464137971641   123.04401321    31.67796273
 Q    147 146 128     0.811603351398    26.64549717   328.73695320
 Q    109 107  84     2.294449825121    83.26080643   292.94070295
 Q    149 109 107     1.463318147226   116.41777502    32.07779089
 Q    149 109 107     0.819145896651   140.32968793    14.53016067
 Q    135 134  94     3.216271132849    89.76135057   119.78612502
 Q    152 135 134     1.484789547377    43.45492487   170.64312212
 Q    153 152 135     0.814984662432    25.63177590   262.64268500
 Q    141 140  87     2.696182486406   105.75094530   120.16429004
 Q    155 141 140     1.458698049632   114.11708636    37.07442542
 Q    156 155 141     0.816516993087    26.79102545   284.96219606
 Q    128  98   5     2.229820620588   145.60512403   206.56430529
 Q    158 128  98     1.586095835692    60.25323692    41.77449419
 Q    159 158 128     0.856095789033    23.89163549    95.14574544
 Q    120 119  95     2.597017520157   137.08297088   211.50690449
 Q    161 120 119     1.563265812330    72.54607486   139.73918998
 Q    161 120 119     0.842080756222    51.94309582   126.82758533
 Q    154 153 152     3.076962788205    92.30600037   209.84468487
 Q    164 154 153     1.532710018236    78.00162207   321.88607621
 Q    164 154 153     0.844097150807    88.30112151   345.83590236
 Q    139 138 137     3.160142401855   128.40902632   244.03935187
 Q    167 139 138     1.532612149241    27.67970287   276.49237733
 Q    167 139 138     0.833006602615    51.80582461   279.53197622
 Q    159 158 128     2.976373632459    91.92040822   263.59797893
 Q    170 159 158     1.658493292118    97.29498598   241.77001985
 Q    170 159 158     0.876013698523    91.19551409   218.56707653
 Q     59  15   1     3.579972066930   147.23202872   158.89052503
 Q    173  59  15     1.520559107697   115.41708543   121.69415126
 Q    174 173  59     0.833186653758    24.66726139   219.26614704
 Q     49  47  24     3.074312931372   154.74024357   308.61396738
 Q    176  49  47     1.580063289872   140.24939117   315.06189568
 Q    177 176  49     0.856095789033    24.06653297    51.47236363
 Q     53  28  26     1.919921873410   117.50629163   323.91752121
 Q    179  53  28     1.589339485447   151.11557801     6.79009174
 Q    180 179  53     0.851704173995    23.13381751   142.39420293
 Q     86  29  16     1.782694589659   103.31796489   118.53308257
 Q    182  86  29     1.481350734971   119.89988989   318.11375246
 Q    182  86  29     0.821340367935   147.18867464   316.30834566
 Q     84  83  23     2.404537377543   132.08583066   319.34427148
 Q    185  84  83     1.464069670473    89.31967592   212.39815741
 Q    185  84  83     0.827888881433    76.58041765   238.43551523
 Q    177 176  49     3.175988035242   109.44634810    77.79526824
 Q    188 177 176     1.613350550872   111.57157715   195.31105091
 Q    189 188 177     0.863828686720    23.41412856   101.84633372
 Q    161 120 119     3.808805587057   134.43045623   349.00204835
 Q    191 161 120     1.559647396048    65.86981644   206.45909833
 Q    192 191 161     0.835763124336    25.27610560   254.14259998
 Q    117 116  42     2.622765715805   107.79513391   180.63322284
 Q    194 117 116     1.664001201923    66.01601885    16.48957103
 Q    194 117 116     0.887130204649    60.06160814    38.88105412
 Q     37  35  20     4.237664451086   139.91794614    29.87555584
 Q    197  37  35     1.494422965562    97.71811218   127.42770483
 Q    197  37  35     0.825166649835    83.78269261   106.09229228
 Q    166 164 154     2.212894032709    87.39181431    81.44003231
 Q    200 166 164     1.570254756401   153.04812560    93.75136798
 Q    201 200 166     0.848881617188    23.55435230   130.51711351
 Q    174 173  59     4.575161199346   143.08013344    48.25331547
 Q    203 174 173     1.520887898565    48.60561112   240.48250818
 Q    203 174 173     0.834865258590    43.14957742   206.07374881
 Q     58  56  21     2.354633729479   149.35145833   151.56341515
 Q    206  58  56     1.533134045020    91.85888375   186.39910423
 Q    207 206  58     0.825711814134    25.32142843   355.53896035
 Q    115 114 113     3.522399750170   103.81832230   254.75230061
 Q    209 115 114     1.522793485670   139.25501959     4.54473950
 Q    210 209 115     0.839344982710    24.90398856    79.85263567
 Q    183 182  86     3.032375306587   100.07733679   112.41391493
 Q    212 183 182     1.510959959761    43.52939664    41.75527063
 Q    212 183 182     0.824439203338    70.51264652    44.98837211
 Q    126 125  43     3.059738550922   159.45651488   252.09243720
 Q    215 126 125     1.589308025526    81.77363817    86.77535587
 Q    216 215 126     0.862786184405    24.57736213   174.72639935
 Q     41  18  17     2.132744710461    66.98253998    94.20701163
 Q    218  41  18     1.462976418128   166.88735113   354.26275055
 Q    219 218  41     0.809258920247    28.99856633   134.48114837
 Q     75  74  54     2.637669425838   165.44695813   254.07511899
 Q    221  75  74     1.608104474218    64.77619955   159.00141546
 Q    222 221  75     0.866890996608    22.08124984   346.10670766
 Q    146 128  98     2.287203532701    73.85361283   211.67960703
 Q    224 146 128     1.600624877977    70.18842640   275.83424331
 Q    224 146 128     0.858254041645    62.79291123   252.23685851
 Q    184 182  86     2.079663434309   120.68579164   226.72751696
 Q    227 184 182     1.379637633584   141.45045947   320.85061670
 Q    227 184 182     0.780576709875   168.31594248   294.44335710
 Q    188 177 176     3.995159571281   111.19660039    78.98703687
 Q    230 188 177     1.511919310016    16.67660159   295.34334682
 Q    230 188 177     0.833786543427    10.77308708   157.77082830
 Q    105 104  93     2.660093983302   162.31263150   277.92476193
 Q    233 105 104     1.558653264841    71.43437252   157.14506069
 Q    234 233 105     0.845990543682    23.68898394   337.49653306
 Q    145 143  67     2.264928254934   144.91067605   308.85045983
 Q    236 145 143     1.447273298310   140.27623230     1.13114947
 Q    237 236 145     0.802371485037    28.52347375   189.43314058
 Q    112 110  62     2.051072889977   117.10727288   257.53050393
 Q    239 112 110     1.507647173579   138.32716503   321.67476515
 Q    240 239 112     0.831504660239    26.54132372   206.21896363
 Q     49  47  24     4.690948731334   125.79920857   110.33941098
 Q    242  49  47     1.530882098661    37.38057183   303.26620530
 Q    242  49  47     0.819084855189    52.74835234   277.70939584
 Q    202 201 200     2.225039325495   140.06134658   203.67827213
 Q    245 202 201     1.543275736866   118.77202385   292.02685356
 Q    245 202 201     0.834146270147   141.82212559   281.01499571
 Q     98   5   4     1.986403785739    82.24395281   214.70193784
 Q    248  98   5     1.479560745627   151.06795990   269.40982981
 Q    248  98   5     0.805667425182   174.42100806   321.06540536
 Q    145 143  67     2.228631867312    81.63203881   344.63370785
 Q    251 145 143     1.531959529492   103.22017583   333.85298093
 Q    252 251 145     0.831504660239    25.11505783   187.94986377
 Q    132 131  58     2.426808603908   129.98262824   146.30357518
 Q    254 132 131     1.533166657608    73.10830836   246.08940618
 Q    255 254 132     0.825287828579    25.52571277    55.11195219
 Q    170 159 158     3.295785187175   140.54738588    76.94935541
 Q    257 170 159     1.533688364695   127.53414242    99.97937595
 Q    257 170 159     0.830301150186   120.75364036    70.96429907
 Q    124 122  84     2.079519175194    88.88059769   149.13438317
 Q    260 124 122     1.466458318535   145.71967471   175.13407680
 Q    261 260 124     0.803616824115    26.48406670   189.21182625
 Q    103 101  17     2.238950647067   153.85316550   242.06701402
 Q    263 103 101     1.538733245238    66.76902126   177.30675346
 Q    263 103 101     0.835822947759    53.30288601   154.16467427
 Q     96  95  79     2.213074784096   122.40473080   192.61165100
 Q    266  96  95     1.579556899893    76.64575702   147.28020734
 Q    266  96  95     0.853580693315    62.38233051   166.94862187
 Q    255 254 132     2.486181811534    93.22444097   246.89608585
 Q    269 255 254     1.505390314835    87.03796240   189.50190742
 Q    269 255 254     0.805481222624    63.15239226   198.64086953
 Q     81  80  31     2.755086205548    95.91274856   111.16721923
 Q    272  81  80     1.516772890053   142.40333253   224.93305136
 Q    273 272  81     0.836301381082    25.13141912   307.57286970
 Q    244 242  49     1.912014644295   117.36621832   242.40695544
 Q    275 244 242     1.572831840980   154.06426150   244.56007286
 Q    275 244 242     0.861452262171   178.20377857   237.64815814
 Q     82  80  81     1.985975830669    79.64507089   113.19785622
 Q    278  82  80     1.585086748415   139.11711668   277.71046925
 Q    279 278  82     0.851528038294    22.33330662   277.21732138
 Q    169 167 139     1.857686733548   125.52648790   173.63622268
 Q    281 169 167     1.508111401721   135.82653323    48.81160480
 Q    282 281 169     0.813941029805    26.99205735   200.72919094
 Q    231 230 188     2.333280951793   140.73331443   199.50365016
 Q    284 231 230     1.591131672741    77.29195720   232.31452360
 Q    284 231 230     0.867525215772    54.05187633   226.53306804
 Q    233 105 104     2.372888535098   119.26946369   311.80556483
 Q    287 233 105     1.552288632955    65.39541430    65.25129447
 Q    287 233 105     0.857962703152    46.47619507    88.46094909
 Q    204 203 174     2.723912627086   154.68375174    64.36710917
 Q    290 204 203     1.597811002591   109.52057560   311.65961801
 Q    291 290 204     0.853522114535    23.51646153    24.62056748
 Q    159 158 128     2.396100999541   155.81975430   177.34854907
 Q    293 159 158     1.548579994705    68.65132134   107.69457564
 Q    293 159 158     0.838689453850    59.60058440   133.49513678
 Q    262 261 260     2.230269042066    81.58778298    93.94411894
 Q    296 262 261     1.617745344608   165.29942608   108.68663175
 Q    296 262 261     0.835822947759   171.47209646   345.80333264
 Q     35  20   3     2.057255453268    91.69126170    62.07898832
 Q    299  35  20     1.544862453424   163.76236865    11.82755069
 Q    299  35  20     0.837675354777   167.47501492   120.94690982
 Q    265 263 103     1.764624605971   113.19026534   275.79811698
 Q    302 265 263     1.495493229674   128.68593964     6.11760033
 Q    302 265 263     0.828311535595   153.99728781   351.77476405
 Q    166 164 154     2.251110836898   127.94824592   157.10027180
 Q    305 166 164     1.650878553983   159.86566684    57.17108447
 Q    306 305 166     0.875671171160    21.35206793   227.93152569
 Q     94  92   8     2.209615351141   164.01089067   122.99702113
 Q    308  94  92     1.557626399365    67.77186719   145.84375745
 Q    308  94  92     0.831685036537    49.10081788   129.26580147
 Q    221  75  74     2.423839928708   144.68909807   326.20467017
 Q    311 221  75     1.433701503103    79.50134018    92.65061096
 Q    311 221  75     0.803305670340    68.08536834    66.66440796
 Q    155 141 140     2.423674895690    57.43526655   209.03118458
 Q    314 155 141     1.565439235486    72.70276318   292.91101825
 Q    315 314 155     0.829819257429    21.42065486    49.94697495
 Q    174 173  59     1.977776529338   123.07028727   120.27468444
 Q    317 174 173     1.554123547212    88.64656662   209.10013996
 Q    317 174 173     0.839106667832    82.19403688   186.56597483
 Q     50  27  26     4.221978209323   139.50931708   245.03605776
 Q    320  50  27     1.527383383437    48.98055693    24.85570968
 Q    320  50  27     0.842911620515    23.82459725    24.03888073
 Q    202 201 200     1.982548864467    81.15064320   126.88986558
 Q    323 202 201     1.547417202955   134.52172116    40.86839470
 Q    323 202 201     0.856562899033   158.26058568    59.88983910
 Q    277 275 276     3.018642078816    83.20220960   279.92461637
 Q    326 277 275     1.439756923928   117.59946569    95.13124033
 Q    326 277 275     0.817373843477    98.95580215    70.96750235
 Q    181 180 179     1.949025397474   126.73213852   136.63344747
 Q    329 181 180     1.642528538565   137.02613294   237.51823272
 Q    330 329 181     0.895544527090    24.79090153   170.18083176
 Q     93  92   8     2.330858211046   159.29717759    43.25467469
 Q    332  93  92     1.643076382887    76.55605798   164.44864230
 Q    332  93  92     0.874699948554    56.55356731   173.95105588
 Q    120 119  95     2.143198544232   108.10196311    63.63171394
 Q    335 120 119     1.500599880048    66.32329884   177.66871118
 Q    336 335 120     0.817373843477    26.02309468   245.54025878
 Q    150 149 109     3.272842800991   103.71024929   255.25564203
 Q    338 150 149     1.514793715329    42.86797969   355.99314440
 Q    338 150 149     0.832646383527    64.25036820    14.12316715
 Q    254 132 131     2.650848920629    68.59225068    70.55832388
 Q    341 254 132     1.600843527644   103.15245833     2.76001408
 Q    342 341 254     0.856737999624    23.82797381   125.83964428
 Q    283 282 281     2.197657844160   100.33141946   180.30918759
 Q    344 283 282     1.540811474516   118.40101019     1.38475441
 Q    344 283 282     0.842496290793   132.23329509   337.13813854
 Q    245 202 201     2.813698633472    82.55326752    36.04370150
 Q    347 245 202     1.633278910658    82.79969492    81.91123165
 Q    347 245 202     0.864696478540    85.37456911   102.46056874
 Q    160 159 158     1.747626962484    91.55117077    90.31170363
 Q    350 160 159     1.481148203253   147.81386041   208.69706676
 Q    350 160 159     0.819878039711   172.59780578   163.69377012
 Q    139 138 137     2.295059912072   104.15735042    89.79160636
 Q    353 139 138     1.488825040090   136.69369753   236.49406735
 Q    354 353 139     0.833306666240    26.85982324   188.09390396
 Q    287 233 105     2.254972283643   126.17729197   245.10301189
 Q    356 287 233     1.502597750564    82.32026388    80.41673718
 Q    357 356 287     0.841070746133    27.28284209   315.68464822
 Q     59  15   1     2.048267560647   122.92398650   113.55024748
 Q    359  59  15     1.525581856211   159.35321736   251.05076243
 Q    359  59  15     0.838212383588   172.73503055   134.79695445
 Q    356 287 233     2.533002171337   170.77031032   356.98884514
 Q    362 356 358     1.553383404057    71.11886093   159.06203227
 Q    363 362 356     0.844393273303    25.45845703   287.86937011
 Q     90  89  19     2.160810033298   129.30752085    21.80631226
 Q    365  90  89     1.458972240997    89.32389829   222.21142735
 Q    366 365  90     0.814677850442    26.97275800   298.45552152
 Q    119  95  79     3.850584371235    81.78312712   146.72890437
 Q    368 119  95     1.580442975877    83.61571300   242.27837910
 Q    368 119  95     0.853814968245    89.09199524   265.00943084
 Q    106 105 104     1.914366736025    81.93209173   207.97814322
 Q    371 106 105     1.538765739156   144.74219510   121.93909801
 Q    371 106 105     0.842258867570   165.02041265   161.92522441
 Q    330 329 181     1.962472929750    79.42987341   270.47698213
 Q    374 330 329     1.579461933698   151.24050075   129.42780772
 Q    375 374 330     0.844037913840    23.19159726   309.93398166
 Q    320  50  27     3.551196981301   105.63120635   132.48265648
 Q    377 320  50     1.478445129181    60.24196313    21.69336468
 Q    378 377 320     0.825953993876    26.74387882   126.97604281
 Q    311 221  75     2.514557615168    61.81112099   239.63746317
 Q    380 311 221     1.563617600310    78.48923547    82.12358381
 Q    381 380 311     0.864927742647    25.60519176    59.38211007
 Q    243 242  49     2.107652722817   175.54060691   146.07248761
 Q    383 243 244     1.544474020500    87.63900720   166.13223125
 Q    384 383 243     0.845813218152    25.16997029    17.37702749
 Q    220 219 218     2.029334866403    82.75180011   227.17274100
 Q    386 220 219     1.542206211893   139.85629420   244.40942142
 Q    387 386 220     0.847820735769    25.02181606   166.69765826
 Q    158 128  98     2.401874268150   119.99166968   264.26398075
 Q    389 158 128     1.512216915657    75.62410548    22.25326292
 Q    390 389 158     0.832466215531    24.86214243   313.81882838
 Q    280 279 278     4.226937425607   127.62553084   192.71000552
 Q    392 280 279     1.617250753594    32.09590650    65.42067216
 Q    393 392 280     0.873784870549    22.86392453     0.33090882
 Q    115 114 113     2.193832263415    91.84925381   143.16028859
 Q    395 115 114     1.613226580490   168.02263052   221.18828955
 Q    395 115 114     0.860581198958   167.63839445    80.08635488
 Q    295 293 159     2.019257289203   112.20056165   128.13391354
 Q    398 295 293     1.405489238664   132.96297674   123.71842055
 Q    399 398 295     0.802371485037    28.87715637   174.14681961
 Q     72  71  66     2.487991157541   148.79725148    87.42335875
 Q    401  72  71     1.516673992656    78.55591889   124.81908681
 Q    402 401  72     0.819451035755    24.92305482    24.61448853
 Q    104  93  92     2.677274733754    59.83951207    36.15813853
 Q    404 104  93     1.449310180741   105.11361244   348.59147669
 Q    404 104  93     0.812526922631   122.47443011   324.57109704
 Q    402 401  72     2.918492761684   127.41157486    67.08605200
 Q    407 402 401     1.614001239157    60.59131613   127.31017957
 Q    408 407 402     0.855394645763    24.98583583   239.49690700
 Q    125  43  41     3.171687248138    88.92570396    87.68013565
 Q    410 125  43     1.540259718359    62.58650030   286.01255448
 Q    411 410 125     0.827647267862    22.32955912   346.85960843
 Q    217 216 215     3.654764014270    88.18994534    98.18195869
 Q    413 217 216     1.519045753096     8.39267702    83.40656655
 Q    413 217 216     0.828552955459    24.60533738   347.57599351
 Q    178 177 176     2.058931761861   108.59275205   246.86226279
 Q    416 178 177     1.533786165018   142.19174910   344.10793737
 Q    417 416 178     0.818901703503    24.32668343   190.21558355
 Q    284 231 230     3.144216913637    97.36859011   344.85376444
 Q    419 284 231     1.544312144613   107.13756395   273.24118280
 Q    419 284 231     0.840357066966    81.82767858   268.55774505
 Q    405 404 104     2.218152384305   159.38300613    37.01088128
 Q    422 405 404     1.607171428317    86.63742160   333.46494912
 Q    422 405 404     0.854751425854    66.80991625   345.69197889
 Q    149 109 107     4.104704617874    98.24926799   221.78136853
 Q    425 149 109     1.560416611037    48.53837680    94.12991546
 Q    425 149 109     0.855160803592    29.24733461   122.77110916
 Q    378 377 320     2.645316616211    94.65358260   218.33250036
 Q    428 378 377     1.472277147822   104.00002276   216.83231665
 Q    429 428 378     0.808579000469    24.83048862   128.02918132
 Q    107  84  83     3.321866944957    85.20886974   247.38493701
 Q    431 107  84     1.517201370946    99.14481998   118.86578723
 Q    432 431 107     0.823953882205    24.94343276   299.37298998
 Q    222 221  75     2.207170133904   132.62464085   282.50209426
 Q    434 222 221     1.641767340399    73.73032056   162.68166679
 Q    434 222 221     0.872811548961    68.85898315   184.24301558
 Q    130 128  98     1.912851274930    94.39616013   203.97579734
 Q    437 130 128     1.574928569809   126.83276142   343.56698124
 Q    438 437 130     0.860871651293    24.57487726   187.08162955
 Q    378 377 320     3.353162686182   140.97841715    99.85641058
 Q    440 378 377     1.503662196107   120.16268426   185.25030546
 Q    440 378 377     0.824803006784   107.28808174   161.56473091
 Q    407 402 401     2.130563305795    71.12268565   347.38029238
 Q    443 407 402     1.470374102057   159.15103007   148.72183308
 Q    443 407 402     0.803803458564   132.73710597   160.31849440
 Q    335 120 119     2.601634101868   104.89547277   344.34875402
 Q    446 335 120     1.476008130059    72.99714504   201.82633028
 Q    446 335 120     0.818962758616    49.48730033   188.50249961
 Q    348 347 245     2.067220355937    90.27491104    41.81104493
 Q    449 348 347     1.586001261034   127.12221612   174.32622792
 Q    450 449 348     0.849352694703    21.78161366   238.47843994
 Q    339 338 150     3.235815198679    82.14716866   237.72232569
 Q    452 339 338     1.540551849176   137.79200518   280.28267085
 Q    453 452 339     0.844985206971    24.99794735   347.57001993
 Q    293 159 158     2.250977565415   122.38214713   325.33199531
 Q    455 293 159     1.541590088188    73.69203930   217.33680872
 Q    456 455 293     0.832406150866    24.65980444   306.73320035
 Q    247 245 202     1.932511319501   119.09303504   251.62102481
 Q    458 247 245     1.601811474550   163.55584340   178.49657721
 Q    458 247 245     0.854751425854   158.98995178   105.68046298
 Q    312 311 221     2.975130249250   112.54483834   287.00155576
 Q    461 312 311     1.610403676101   109.98252207   266.58171285
 Q    462 461 312     0.870057469366    23.39033542   202.22784692
 Q    113  78  77     2.062837851117    38.92106749    44.84308513
 Q    464 113  78     1.643684884642    76.10401263    57.00508026
 Q    464 113  78     0.870402205880    69.29534667    35.10161657
 Q     92   8   7     1.983658236693   104.51995298   186.00818226
 Q    467  92   8     1.557080601639   143.06607178   330.33526421
 Q    467  92   8     0.834026378480   165.56570676   306.35046788
 Q    253 252 251     2.410726031717    82.63385526   140.53056165
 Q    470 253 252     1.514793715329   163.83631298   339.86681781
 Q    470 253 252     0.822253002427   139.01738425   346.23659290
 Q    465 464 113     2.206671701908   153.68140763   186.27307799
 Q    473 465 464     1.502165104108    78.74792953   241.44307850
 Q    474 473 465     0.840000000000    26.62640777    31.14450301
 Q    412 411 410     2.074873490119   101.44664308   253.31517818
 Q    476 412 411     1.600031249695   154.90554072    63.67613004
 Q    477 476 412     0.873498712077    24.72490273   223.43480143
 Q    130 128  98     1.961479033791   104.06034259   126.57594551
 Q    479 130 128     1.444264518708   151.14612229   136.78332168
 Q    479 130 128     0.804238770515   174.26439690   212.35270273
 Q    229 227 228     1.922550389457    91.32494391   137.71753210
 Q    482 229 227     1.474381226142   128.67940070   326.85328720
 Q    483 482 229     0.828371897157    27.30001973   169.15975323
 Q    244 242  49     2.268060845745    83.00313399   134.98230641
 Q    485 244 242     1.573435731131    96.85914875   230.50498591
 Q    485 244 242     0.840535543567   119.58120707   227.78501925
 Q    155 141 140     3.284661321963   134.43214604   178.87199245
 Q    488 155 141     1.609254485779   133.86507687   269.40881320
 Q    489 488 155     0.853814968245    22.56698783    15.06284603
 Q    445 443 407     3.051114550455   101.90202874   289.99807154
 Q    491 445 443     1.543016526159    70.60758780   160.50443873
 Q    492 491 445     0.843682404700    25.87566723   211.59878673
 Q    301 299 300     2.341452540625    80.06494161   159.88507419
 Q    494 301 299     1.587891683963   152.86662373   242.52958496
 Q    494 301 299     0.853756405540   162.31896031   308.51719018
 Q    243 242  49     1.938272426673    90.18923128   341.79354680
 Q    497 243 242     1.534046935397   149.71447498    81.85977282
 Q    497 243 242     0.840178552452   172.37623488   131.91443949
 Q    115 114 113     1.924837655492   130.12862761   227.97101260
 Q    500 115 114     1.540551849176   147.14146374   270.78463506
 Q    500 115 114     0.833126641034   168.58270968   303.71601508
 Q    421 419 284     2.001474456495   136.83528755   352.47031356
 Q    503 421 419     1.577117624022   122.40709954   200.51422683
 Q    504 503 421     0.840178552452    24.23312670   174.36907198
 Q    427 425 149     1.945302033104    94.57876375    37.87766463
 Q    506 427 425     1.535871088340   159.72423213   266.16465426
 Q    507 506 427     0.823711114408    25.69636878   151.56759550
 Q    240 239 112     2.529090745703   124.12716410   128.08005206
 Q    509 240 239     1.508741197157   105.69310810   346.51509105
 Q    510 509 240     0.825651258099    25.69642544   137.26576096
 Q    259 257 170     2.323381156849    91.14949379   354.98712684
 Q    512 259 257     1.512977197449   140.68145779   131.74793042
 Q    512 259 257     0.809629544915   140.44323932   173.65741093
 Q    240 239 112     2.033568292436    91.07836456    39.79644659
 Q    515 240 239     1.554380905698    82.94743169   180.02579632
 Q    516 515 240     0.842258867570    22.78814278   312.63961602
 Q    436 434 222     2.089234309502   127.22796427    74.31841787
 Q    518 436 434     1.553640885147   128.02491781   269.51905674
 Q    518 436 434     0.855160803592   151.29086701   249.26992726
 Q    211 210 209     1.943347627163    97.88967441   172.26629065
 Q    521 211 210     1.486640507991   158.49829387   197.59261392
 Q    522 521 211     0.817129120764    26.05745596   231.69525381
 Q    428 378 377     2.147440336773    60.75451930    81.46121308
 Q    524 428 378     1.632115192013    76.45621170   205.43745308
 Q    525 524 428     0.851234397801    23.88824359    53.20740558
 Q     74  54  53     2.039019372149   107.35588391   339.84216153
 Q    527  74  54     1.512283042291   143.77099758   193.24046384
 Q    528 527  74     0.817496177361    24.13671947   219.80891314
 Q    365  90  89     2.089282173379   105.58484998   119.52975767
 Q    530 365  90     1.547126368465   123.46446573   246.50077236
 Q    530 365  90     0.829095893127   125.02593307   215.77115303
 Q    249 248  98     2.244749429224   167.29314268   320.51266640
 Q    533 249 250     1.498332406377   100.38866221   120.42180616
 Q    533 249 250     0.832045671823    79.26490291   103.70618048
 Q    522 521 211     1.991306104043   167.22714887   261.37841995
 Q    536 522 523     1.624099750631   106.48654404   182.77265203
 Q    537 536 522     0.882949602186    24.58492368     8.30310099
 Q    406 404 104     2.031181921936   118.08216177   298.07582611
 Q    539 406 404     1.569235482648   157.34660544   299.50770928
 Q    539 406 404     0.861742420912   174.23409600   193.83293729
 Q     62  15   1     1.760539689981   146.22854364   100.50991625
 Q    542  62  15     1.528692251567   147.32847666    26.68733842
 Q    542  62  15     0.821218606706   172.08080665    42.31805186
 Q    199 197  37     1.999024762228    95.93634463    12.38075813
 Q    545 199 197     1.473125928086   139.47439062    83.21180629
 Q    546 545 199     0.808579000469    26.52057697   135.94545217
 Q    154 153 152     2.029926107030    94.18742063   148.23972994
 Q    548 154 153     1.543178537953   142.64416020   313.47009118
 Q    548 154 153     0.838689453850   159.69661293   272.98287606
 Q    292 291 290     2.227420032235   117.57292325   148.47886268
 Q    551 292 291     1.597028490666   154.39080584   245.48086490
 Q    552 551 292     0.870517087713    23.67859276   140.28759368
 Q    333 332  93     2.186183889795   107.93611577   152.77271998
 Q    554 333 332     1.527383383437   101.35264257   185.41812174
 Q    554 333 332     0.838689453850    79.95205205   200.70883219
 Q    281 169 167     1.913426246292    63.06384900    72.53692996
 Q    557 281 169     1.489832205317   176.31806784   118.88778684
 Q    557 281 169     0.814432317630   152.94291893   179.00082008
 Q    157 156 155     2.004020957974   123.12106822   237.45005343
 Q    560 157 156     1.565950190779   154.66204056    19.92899789
 Q    561 560 157     0.850058821494    23.93280126   226.68675633
 Q    151 149 109     2.293686988235   113.19126178   209.71041895
 Q    563 151 149     1.532514273996   128.09279693   346.89369886
 Q    564 563 151     0.841546195999    25.20404421   201.09243794
 Q    523 522 521     1.979419106708    90.25505164   135.90627245
 Q    566 523 522     1.504792344478   118.05284555    60.99461637
 Q    566 523 522     0.830481787880   143.15931921    72.47567722
 Q    394 393 392     1.914262259984    95.86775819   240.02512835
 Q    569 394 393     1.609130199828   143.48380321   208.18727448
 Q    570 569 394     0.855920557061    23.86821580   202.22531874
 Q    163 161 120     2.079879804219   101.01706410   262.08036293
 Q    572 163 161     1.436871601779   142.93829349   244.27484416
 Q    572 163 161     0.810000000000   170.64576982   253.29181457
 Q    487 485 244     2.151534336235    94.67199528   278.32922349
 Q    575 487 485     1.516739924971   128.80658966    96.57770828
 Q    575 487 485     0.837317144217   151.66684054   115.10423521
 Q    347 245 202     2.392906182866   110.12870877   332.93536136
 Q    578 347 245     1.536847422485    70.01309619   298.41163951
 Q    579 578 347     0.854809920392    26.04542059   297.48612112
 Q    547 546 545     1.926110069544   124.38722786   197.45612912
 Q    581 547 546     1.552546295606   150.13282519   162.62543286
 Q    581 547 546     0.851645466142   173.52522060   132.94404061
 Q    433 432 431     2.001824168103   115.74310840   223.34611229
 Q    584 433 432     1.425061402186   129.17398054   239.45878941
 Q    585 584 433     0.774402995862    30.09551990   216.37120185
 Q     59  15   1     2.087223035519   100.34428972   190.67474628
 Q    587  59  15     1.507779824775   137.30725651    52.81669944
 Q    587  59  15     0.815904406165   152.52501684    89.83458818
 Q    171 170 159     2.130563305795   152.55712184   315.65809217
 Q    590 171 170     1.483880049061   122.64682178     7.41397213
 Q    590 171 170     0.814984662432   126.28944874   336.70478184
 Q    187 185  84     2.119009202434   101.45827504   129.93489779
 Q    593 187 185     1.441735065815   120.39003338    98.76401887
 Q    594 593 187     0.796617850666    26.62748088   153.92402152
 Q    306 305 166     2.715308453933   125.16495176    85.70800229
 Q    596 306 305     1.586757700470    69.59198955    68.29644873
 Q    596 306 305     0.845990543682    48.14338303    69.20033676
 Q    194 117 116     2.523885892825   126.14906257   217.47125240
 Q    599 194 117     1.622744588652    64.50946657   305.46111060
 Q    599 194 117     0.883911760302    50.12025509   282.91053927
 Q    425 149 109     2.754668764117   116.49827870   285.53003672
 Q    602 425 149     1.556695217440    70.88400929   315.77680161
 Q    603 602 425     0.841902607194    23.66237822   202.52508442
 Q    571 570 569     1.946638127645    80.87972527   211.17276092
 Q    605 571 570     1.564416824251   125.73964449   285.02132245
 Q    606 605 571     0.838749068554    25.30968135   187.93101000
 Q    349 347 245     1.783171332206    88.62126217   189.22442412
 Q    608 349 347     1.558236182355   150.92267803   341.51703474
 Q    608 349 347     0.852936105462   168.18343872    44.37068148
 Q    419 284 231     2.431337080703    84.32082476   100.46095617
 Q    611 419 284     1.631533021425    77.47002636   272.64585357
 Q    611 419 284     0.862206471792    58.52952959   265.55687282
 Q    193 192 191     2.061407286297   105.04800284   195.33359896
 Q    614 193 192     1.513935269422   163.53103729   278.03636250
 Q    615 614 193     0.808949936646    26.58628454   140.50392545
 Q    343 342 341     2.200977055764   122.55172303   231.09530138
 Q    617 343 342     1.499066376115   106.60356517    18.62862428
 Q    618 617 343     0.833486652563    27.60679626   152.59300447
 Q    471 470 253     1.929896370275    81.67049077   286.54177753
 Q    620 471 470     1.636001222493   130.67897158   224.55878153
 Q    621 620 471     0.883345911860    23.55898484   262.27260904
 Q    346 344 283     2.004744372732   120.33764899   256.39923257
 Q    623 346 344     1.526728528587   149.38259207   208.43321289
 Q    624 623 346     0.836361166004    24.93208943   151.40558449
 Q    609 608 349     2.277674252390   164.07242023   260.23415364
 Q    626 609 608     1.610589954023    65.18137734    83.29262113
 Q    627 626 609     0.864754300365    23.23539121    17.21100981
 Q    148 147 146     1.971623696348   108.67212974   113.38741222
 Q    629 148 147     1.585591372328   148.43990323    54.03345155
 Q    630 629 148     0.854224794770    22.47234733   193.93613430

---------------------------
INTERNAL COORDINATES (A.U.)
---------------------------
 C      0   0   0     0.000000000000     0.00000000     0.00000000
 H      1   0   0     2.132461956116     0.00000000     0.00000000
 H      1   2   0     2.078183303553   109.88493811     0.00000000
 C      1   2   3     2.891836733292   105.63834131   240.66592167
 H      4   1   2     2.104140255531   117.26576424   186.25516219
 H      4   1   2     2.120033545569   103.13378380   298.19010393
 C      4   1   2     2.810931893865   113.05429444    57.66625445
 H      7   4   1     2.099637961931   108.83251714   315.26311931
 H      7   4   1     2.109394893586   109.15442823   196.42971204
 C      7   4   1     2.861609483014   111.61649699    84.32832232
 H     10   7   4     2.117589702053   107.51538179    64.26734850
 H     10   7   4     2.046321249529   116.45832141   299.38862576
 O     10   7   4     2.711411298531   104.07247482   181.15297591
 H     13  10   7     1.877688029862   102.52993022   292.11094963
 O      1   2   3     2.793600749520   108.67294078   122.80313914
 H     15   1   2     1.922976251491   105.82387406   289.53929490
 O     14  13  10     5.605610674438   127.86098819   223.21556491
 H     17  14  13     1.807234329598   168.09958566   202.12088341
 H     17  14  13     1.798816797441    82.06919692    14.29117825
 O      3   1   2     4.973391564595   150.39392926    31.25694989
 H     20   3   1     1.852895506385    96.64924997   288.79257895
 H     20   3   1     1.775638805043    86.35532707    36.90499992
 O     13  10   7     5.137761890279   117.90704563   111.28817990
 H     23  13  10     1.789661441176    95.03103903    68.21825652
 H     23  13  10     1.831182651919     5.83684492   169.28062351
 O     11  10   7     3.945909261682   128.26566999   250.02051220
 H     26  11  10     1.864040265116   166.07826435   276.22564361
 H     26  11  10     1.846621194502    74.24598004   178.37714279
 O     16  15   1     5.868139760079   113.90760393   255.55048054
 H     29  16  15     1.858187992190    58.73801189    22.87218443
 H     29  16  15     1.905346303936   114.50834004   116.20784772
 O      3   1   2     4.402129095781   132.44416002   180.57134016
 H     32   3   1     1.847781132553    89.66796533    69.97686539
 H     32   3   1     1.783364899679    56.17039264   180.78306135
 O     20   3   1     5.107332305501   123.34274986   129.72784476
 H     35  20   3     1.879398907693    19.29714043   168.71665530
 H     35  20   3     1.828450415811   129.86227752   173.28551740
 O      6   4   1     5.519068032448   163.82468941    20.85558720
 H     38   6   4     1.822973658574   157.94863904   178.16475477
 H     38   6   4     1.827278206854    79.60196881    77.27757251
 O     18  17  19     4.803808722225   157.95131470    64.14589752
 H     41  18  17     1.881392965450   106.98696201   302.57149918
 H     41  18  17     1.848843769810   112.41622032   185.69417963
 O     14  13  10     3.499464634569   163.37255020   355.05964516
 H     44  14  13     1.816792572428    76.02684541   219.75713230
 H     44  14  13     1.879208887076    91.20727878   111.11914701
 O     24  23  13     3.689711448128   155.62513037   291.48828894
 H     47  24  23     1.799213799608   124.94080642    76.60067391
 H     47  24  23     1.796234144569   111.19192928   204.62348756
 O     27  26  28     4.794023282575   120.10573678   313.78719382
 H     50  27  26     1.898210853666   100.14149437   127.99177867
 H     50  27  26     1.816006167209    88.03955931    31.66904664
 O     28  26  11     3.491495971180   155.39972507   154.07945091
 H     53  28  26     1.705994684018    99.29469742   227.43482740
 H     53  28  26     1.767373880681   148.57260150   100.05470283
 O     21  20   3     3.468097974264   171.54230061   272.92342566
 H     56  21  20     1.854918055815   114.59292150    16.23101313
 H     56  21  20     1.836537710320   130.04759431   227.60278561
 O     15   1   2     4.964983457881   124.07777294    38.80834505
 H     59  15   1     1.764441652766    88.03538994    22.58366938
 H     59  15   1     1.875594837590    11.82159005   178.55347267
 O     15   1   2     5.275721432645   117.24365223   161.70564890
 H     62  15   1     1.873880486595     9.95508508   340.16663783
 H     62  15   1     1.818560740800   114.83705089   315.91151599
 O     48  47  24     3.669135786576   166.60029461   110.30916448
 H     65  48  47     1.811970483592   153.93593184   188.48185128
 H     65  48  47     1.823952857044    86.82486175   330.07400568
 O     27  26  28     3.938027853233   136.76499164   212.82106092
 H     68  27  26     1.847491216314    79.94231921   100.21058233
 H     68  27  26     1.960676241277    75.01390951   335.39006090
 O     66  65  48     4.973894163087   136.39526507   243.87303817
 H     71  66  65     1.797128559812   126.56551911   241.88487029
 H     71  66  65     1.826105245437    80.03812642   124.41949876
 O     54  53  28     3.730043673447   156.95992891   107.60636192
 H     74  54  53     1.793249538556   113.10399779    95.53607737
 H     74  54  53     1.724834524204   119.32253709   218.95395793
 O     16  15   1     3.671957188820   158.37229119   329.29765525
 H     77  16  15     1.805257264867   103.08656604   148.13294911
 H     77  16  15     1.867007340918    95.88990284   260.72684983
 O     31  29  16     3.584556942939   143.70637023   117.94695721
 H     80  31  29     1.867007340918    88.79533281   191.78726973
 H     80  31  29     1.834300224131   171.54090029    51.07811739
 O     23  13  10     5.544921482057    88.33711214   257.49280781
 H     83  23  13     1.826496316272   132.25335132   158.90773694
 H     83  23  13     1.916838187149    32.87864063    99.05394558
 O     29  16  15     5.785340311366   139.88214184   314.75424210
 H     86  29  16     1.843911834761   118.63121241   280.38419756
 H     86  29  16     1.936024193635    20.92609004   292.31571065
 O     19  17  14     3.537827756139   162.50056067   300.83362369
 H     89  19  17     1.786965640103   124.66793279   319.31786845
 H     89  19  17     1.796234144569   129.19143130   151.10089129
 O      8   7   4     5.041426666164   136.69922786   287.56226665
 H     92   8   7     1.849036910972   117.34340966    88.10394532
 H     92   8   7     1.862027624329    84.29304119   335.00909816
 O     79  77  16     5.624213574159   115.93720139   295.76371704
 H     95  79  77     1.896611092109    78.58458372   268.52895011
 H     95  79  77     1.857899699892    43.07173310   145.89898483
 O      5   4   1     5.998176503768   112.22310609   129.42114310
 H     98   5   4     1.871306015305    79.24210792    25.06160935
 H     98   5   4     1.859820804428   141.04370808   289.28028085
 O     17  14  13     5.501699998203    74.40304579   280.97326265
 H    101  17  14     1.852413621509    28.89081380   337.92072944
 H    101  17  14     1.863273801158   128.76051917   333.40924947
 Q     93  92   8    15.401012934285   118.65506861   112.32026323
 Q    104  93  92     3.115756701869    43.04117659   226.98065431
 Q    105 104  93     1.681006729519    22.27798106   112.26900483
 Q     84  83  23     8.298458578788   116.36957522    96.34871494
 Q    107  84  83     2.620935017709    87.81696975   144.79694775
 Q    107  84  83     1.509653468328    79.56158188   114.81496013
 Q     62  15   1     3.820846798705   114.38143222   228.41362078
 Q    110  62  15     2.867095081098   142.27903255     5.77223269
 Q    110  62  15     1.560369194256   151.33539028   322.73029034
 Q     78  77  16     6.808916915402   159.60057369   208.39826001
 Q    113  78  77     3.038054351114   153.24566740   124.62090672
 Q    114 113  78     1.652295096648    24.01497460   216.72104667
 Q     42  41  18     4.297995046604   143.92623492   325.52837641
 Q    116  42  41     2.921506824365    69.68087669   125.90264967
 Q    117 116  42     1.577666697460    24.96521757    38.99002317
 Q     95  79  77     9.436490829039   153.02584712   209.06387917
 Q    119  95  79     2.884913129640    31.67890910   241.09429793
 Q    119  95  79     1.535918437719    11.51170057   286.67849650
 Q     84  83  23     5.346856455854   115.95942671   180.34039071
 Q    122  84  83     2.954446452433   107.40624280   252.70930389
 Q    122  84  83     1.600141714192   113.68156995   276.30387018
 Q     43  41  18     6.037904185665   115.40709446    25.15466967
 Q    125  43  41     2.957044034031   107.27367840   299.68930748
 Q    126 125  43     1.597014252875    23.09875947   297.06686736
 Q     98   5   4     6.524701949524   131.75430087   116.77669684
 Q    128  98   5     2.919917354340     8.73568711    98.82834737
 Q    128  98   5     1.592984209083    33.54857227   105.19915610
 Q     58  56  21     9.393155531862   151.82391723   326.45467684
 Q    131  58  56     2.893318207125    39.48941059    40.64166771
 Q    131  58  56     1.564140830113    26.30189777     1.77345678
 Q     94  92   8     9.512326511779   129.36538786   206.04531561
 Q    134  94  92     2.793025454475    52.51738203   245.59998851
 Q    134  94  92     1.549805867088    58.91426733   213.46542941
 Q     93  92   8     6.922435942122    99.21999370   177.36417903
 Q    137  93  92     2.854737662168    57.80926894   113.34396826
 Q    138 137  93     1.574494594040    27.27717166   116.30728735
 Q     87  86  29     5.004921025257   126.51961508   257.57196707
 Q    140  87  86     3.178393522822    79.26292144   359.35570799
 Q    140  87  86     1.692755872726    85.20775571   337.51067888
 Q     67  65  48     8.338533000082   123.60188786   111.01860300
 Q    143  67  65     2.817530334620    77.72610572   122.02630923
 Q    143  67  65     1.545190592197    55.26127749   109.76704127
 Q    128  98   5     9.084473900529   104.98267776   279.78806843
 Q    146 128  98     2.766819788676   123.04401321    31.67796273
 Q    147 146 128     1.533708063514    26.64549717   328.73695320
 Q    109 107  84     4.335881797503    83.26080643   292.94070295
 Q    149 109 107     2.765270545054   116.41777502    32.07779089
 Q    149 109 107     1.547961408396   140.32968793    14.53016067
 Q    135 134  94     6.077871613522    89.76135057   119.78612502
 Q    152 135 134     2.805845611051    43.45492487   170.64312212
 Q    153 152 135     1.540097815343    25.63177590   262.64268500
 Q    141 140  87     5.095046506381   105.75094530   120.16429004
 Q    155 141 140     2.756539825889   114.11708636    37.07442542
 Q    156 155 141     1.542993500627    26.79102545   284.96219606
 Q    128  98   5     4.213750300682   145.60512403   206.56430529
 Q    158 128  98     2.997286751611    60.25323692    41.77449419
 Q    159 158 128     1.617786585676    23.89163549    95.14574544
 Q    120 119  95     4.907651878091   137.08297088   211.50690449
 Q    161 120 119     2.954144259826    72.54607486   139.73918998
 Q    161 120 119     1.591302011906    51.94309582   126.82758533
 Q    154 153 152     5.814616993975    92.30600037   209.84468487
 Q    164 154 153     2.896402177183    78.00162207   321.88607621
 Q    164 154 153     1.595112445448    88.30112151   345.83590236
 Q    139 138 137     5.971803683698   128.40902632   244.03935187
 Q    167 139 138     2.896217231585    27.67970287   276.49237733
 Q    167 139 138     1.574154346690    51.80582461   279.53197622
 Q    159 158 128     5.624531037573    91.92040822   263.59797893
 Q    170 159 158     3.134098117048    97.29498598   241.77001985
 Q    170 159 158     1.655425979772    91.19551409   218.56707653
 Q     59  15   1     6.765166773586   147.23202872   158.89052503
 Q    173  59  15     2.873440283987   115.41708543   121.69415126
 Q    174 173  59     1.574494594040    24.66726139   219.26614704
 Q     49  47  24     5.809609490265   154.74024357   308.61396738
 Q    176  49  47     2.985886892120   140.24939117   315.06189568
 Q    177 176  49     1.617786585676    24.06653297    51.47236363
 Q     53  28  26     3.628126539271   117.50629163   323.91752121
 Q    179  53  28     3.003416361322   151.11557801     6.79009174
 Q    180 179  53     1.609487635968    23.13381751   142.39420293
 Q     86  29  16     3.368804554879   103.31796489   118.53308257
 Q    182  86  29     2.799347197379   119.89988989   318.11375246
 Q    182  86  29     1.552108358132   147.18867464   316.30834566
 Q     84  83  23     4.543917122333   132.08583066   319.34427148
 Q    185  84  83     2.766690718175    89.31967592   212.39815741
 Q    185  84  83     1.564483255226    76.58041765   238.43551523
 Q    177 176  49     6.001747591218   109.44634810    77.79526824
 Q    188 177 176     3.048790699160   111.57157715   195.31105091
 Q    189 188 177     1.632399644525    23.41412856   101.84633372
 Q    161 120 119     7.197599456888   134.43045623   349.00204835
 Q    191 161 120     2.947306444015    65.86981644   206.45909833
 Q    192 191 161     1.579363417826    25.27610560   254.14259998
 Q    117 116  42     4.956308916309   107.79513391   180.63322284
 Q    194 117 116     3.144506558150    66.01601885    16.48957103
 Q    194 117 116     1.676433131916    60.06160814    38.88105412
 Q     37  35  20     8.008025260007   139.91794614    29.87555584
 Q    197  37  35     2.824050133155    97.71811218   127.42770483
 Q    197  37  35     1.559338983034    83.78269261   106.09229228
 Q    166 164 154     4.181763685209    87.39181431    81.44003231
 Q    200 166 164     2.967351450085   153.04812560    93.75136798
 Q    201 200 166     1.604153776606    23.55435230   130.51711351
 Q    174 173  59     8.645801685306   143.08013344    48.25331547
 Q    203 174 173     2.874061608682    48.60561112   240.48250818
 Q    203 174 173     1.577666697460    43.14957742   206.07374881
 Q     58  56  21     4.449612894409   149.35145833   151.56341515
 Q    206  58  56     2.897203471679    91.85888375   186.39910423
 Q    207 206  58     1.560369194256    25.32142843   355.53896035
 Q    115 114 113     6.656370862015   103.81832230   254.75230061
 Q    209 115 114     2.877662646436   139.25501959     4.54473950
 Q    210 209 115     1.586132149202    24.90398856    79.85263567
 Q    183 182  86     5.730358864715   100.07733679   112.41391493
 Q    212 183 182     2.855300523268    43.52939664    41.75527063
 Q    212 183 182     1.557964308376    70.51264652    44.98837211
 Q    126 125  43     5.782067902644   159.45651488   252.09243720
 Q    215 126 125     3.003356910686    81.77363817    86.77535587
 Q    216 215 126     1.630429600656    24.57736213   174.72639935
 Q     41  18  17     4.030303416341    66.98253998    94.20701163
 Q    218  41  18     2.764624770648   166.88735113   354.26275055
 Q    219 218  41     1.529277730700    28.99856633   134.48114837
 Q     75  74  54     4.984472846651   165.44695813   254.07511899
 Q    221  75  74     3.038877051005    64.77619955   159.00141546
 Q    222 221  75     1.638186571551    22.08124984   346.10670766
 Q    146 128  98     4.322188289342    73.85361283   211.67960703
 Q    224 146 128     3.024742662518    70.18842640   275.83424331
 Q    224 146 128     1.621865092040    62.79291123   252.23685851
 Q    184 182  86     3.929994341573   120.68579164   226.72751696
 Q    227 184 182     2.607137291524   141.45045947   320.85061670
 Q    227 184 182     1.475076208182   168.31594248   294.44335710
 Q    188 177 176     7.549757451036   111.19660039    78.98703687
 Q    230 188 177     2.857113432518    16.67660159   295.34334682
 Q    230 188 177     1.575628221226    10.77308708   157.77082830
 Q    105 104  93     5.026849118933   162.31263150   277.92476193
 Q    233 105 104     2.945427808292    71.43437252   157.14506069
 Q    234 233 105     1.598690439447    23.68898394   337.49653306
 Q    145 143  67     4.280094114806   144.91067605   308.85045983
 Q    236 145 143     2.734950174742   140.27623230     1.13114947
 Q    237 236 145     1.516262364387    28.52347375   189.43314058
 Q    112 110  62     3.875966042768   117.10727288   257.53050393
 Q    239 112 110     2.849040264644   138.32716503   321.67476515
 Q    240 239 112     1.571316086932    26.54132372   206.21896363
 Q     49  47  24     8.864608410486   125.79920857   110.33941098
 Q    242  49  47     2.892947909791    37.38057183   303.26620530
 Q    242  49  47     1.547846056750    52.74835234   277.70939584
 Q    202 201 200     4.204714962391   140.06134658   203.67827213
 Q    245 202 201     2.916368491803   118.77202385   292.02685356
 Q    245 202 201     1.576308006210   141.82212559   281.01499571
 Q     98   5   4     3.753759146432    82.24395281   214.70193784
 Q    248  98   5     2.795964607735   151.06795990   269.40982981
 Q    248  98   5     1.522490788616   174.42100806   321.06540536
 Q    145 143  67     4.211503882550    81.63203881   344.63370785
 Q    251 145 143     2.894983958990   103.22017583   333.85298093
 Q    252 251 145     1.571316086932    25.11505783   187.94986377
 Q    132 131  58     4.586003640829   129.98262824   146.30357518
 Q    254 132 131     2.897265100538    73.10830836   246.08940618
 Q    255 254 132     1.559567977672    25.52571277    55.11195219
 Q    170 159 158     6.228131399995   140.54738588    76.94935541
 Q    257 170 159     2.898250984055   127.53414242    99.97937595
 Q    257 170 159     1.569041782531   120.75364036    70.96429907
 Q    124 122  84     3.929721731355    88.88059769   149.13438317
 Q    260 124 122     2.771204608841   145.71967471   175.13407680
 Q    261 260 124     1.518615714188    26.48406670   189.21182625
 Q    103 101  17     4.231003550322   153.85316550   242.06701402
 Q    263 103 101     2.907784426659    66.76902126   177.30675346
 Q    263 103 101     1.579476467711    53.30288601   154.16467427
 Q     96  95  79     4.182105255828   122.40473080   192.61165100
 Q    266  96  95     2.984929953744    76.64575702   147.28020734
 Q    266  96  95     1.613033743568    62.38233051   166.94862187
 Q    255 254 132     4.698202742935    93.22444097   246.89608585
 Q    269 255 254     2.844775419696    87.03796240   189.50190742
 Q    269 255 254     1.522138916776    63.15239226   198.64086953
 Q     81  80  31     5.206358403830    95.91274856   111.16721923
 Q    272  81  80     2.866285369557   142.40333253   224.93305136
 Q    273 272  81     1.580380575665    25.13141912   307.57286970
 Q    244 242  49     3.613184041765   117.36621832   242.40695544
 Q    275 244 242     2.972221434163   154.06426150   244.56007286
 Q    275 244 242     1.627908852951   178.20377857   237.64815814
 Q     82  80  81     3.752950428550    79.64507089   113.19785622
 Q    278  82  80     2.995379853012   139.11711668   277.71046925
 Q    279 278  82     1.609154787730    22.33330662   277.21732138
 Q    169 167 139     3.510519169024   125.52648790   173.63622268
 Q    281 169 167     2.849917528696   135.82653323    48.81160480
 Q    282 281 169     1.538125635493    26.99205735   200.72919094
 Q    231 230 188     4.409261992384   140.73331443   199.50365016
 Q    284 231 230     3.006803104489    77.29195720   232.31452360
 Q    284 231 230     1.639385072080    54.05187633   226.53306804
 Q    233 105 104     4.484109477657   119.26946369   311.80556483
 Q    287 233 105     2.933400397083    65.39541430    65.25129447
 Q    287 233 105     1.621314542076    46.47619507    88.46094909
 Q    204 203 174     5.147448877923   154.68375174    64.36710917
 Q    290 204 203     3.019425208663   109.52057560   311.65961801
 Q    291 290 204     1.612923045716    23.51646153    24.62056748
 Q    159 158 128     4.527974678347   155.81975430   177.34854907
 Q    293 159 158     2.926392086461    68.65132134   107.69457564
 Q    293 159 158     1.584893379185    59.60058440   133.49513678
 Q    262 261 260     4.214597694468    81.58778298    93.94411894
 Q    296 262 261     3.057095655735   165.29942608   108.68663175
 Q    296 262 261     1.579476467711   171.47209646   345.80333264
 Q     35  20   3     3.887649394192    91.69126170    62.07898832
 Q    299  35  20     2.919366951550   163.76236865    11.82755069
 Q    299  35  20     1.582977009663   167.47501492   120.94690982
 Q    265 263 103     3.334657234465   113.19026534   275.79811698
 Q    302 265 263     2.826072639217   128.68593964     6.11760033
 Q    302 265 263     1.565281955843   153.99728781   351.77476405
 Q    166 164 154     4.253982978840   127.94824592   157.10027180
 Q    305 166 164     3.119708347391   159.86566684    57.17108447
 Q    306 305 166     1.654778696862    21.35206793   227.93152569
 Q     94  92   8     4.175567874966   164.01089067   122.99702113
 Q    308  94  92     2.943487313766    67.77186719   145.84375745
 Q    308  94  92     1.571656948736    49.10081788   129.26580147
 Q    221  75  74     4.580393657722   144.68909807   326.20467017
 Q    311 221  75     2.709303198656    79.50134018    92.65061096
 Q    311 221  75     1.518027718768    68.08536834    66.66440796
 Q    155 141 140     4.580081790515    57.43526655   209.03118458
 Q    314 155 141     2.958251434364    72.70276318   292.91101825
 Q    315 314 155     1.568131137195    21.42065486    49.94697495
 Q    174 173  59     3.737455994546   123.07028727   120.27468444
 Q    317 174 173     2.936867882510    88.64656662   209.10013996
 Q    317 174 173     1.585681799350    82.19403688   186.56597483
 Q     50  27  26     7.978382559004   139.50931708   245.03605776
 Q    320  50  27     2.886336296198    48.98055693    24.85570968
 Q    320  50  27     1.592872117874    23.82459725    24.03888073
 Q    202 201 200     3.746474400959    81.15064320   126.88986558
 Q    323 202 201     2.924194728503   134.52172116    40.86839470
 Q    323 202 201     1.618669295650   158.26058568    59.88983910
 Q    277 275 276     5.704406825293    83.20220960   279.92461637
 Q    326 277 275     2.720746285642   117.59946569    95.13124033
 Q    326 277 275     1.544612713202    98.95580215    70.96750235
 Q    181 180 179     3.683124229284   126.73213852   136.63344747
 Q    329 181 180     3.103929105037   137.02613294   237.51823272
 Q    330 329 181     1.692333896931    24.79090153   170.18083176
 Q     93  92   8     4.404683675878   159.29717759    43.25467469
 Q    332  93  92     3.104964380770    76.55605798   164.44864230
 Q    332  93  92     1.652943352122    56.55356731   173.95105588
 Q    120 119  95     4.050058299218   108.10196311    63.63171394
 Q    335 120 119     2.835722809886    66.32329884   177.66871118
 Q    336 335 120     1.544612713202    26.02309468   245.54025878
 Q    150 149 109     6.184776573249   103.71024929   255.25564203
 Q    338 150 149     2.862545271357    42.86797969   355.99314440
 Q    338 150 149     1.573473631265    64.25036820    14.12316715
 Q    254 132 131     5.009378482390    68.59225068    70.55832388
 Q    341 254 132     3.025155850508   103.15245833     2.76001408
 Q    342 341 254     1.619000187813    23.82797381   125.83964428
 Q    283 282 281     4.152971461527   100.33141946   180.30918759
 Q    344 283 282     2.911711710839   118.40101019     1.38475441
 Q    344 283 282     1.592087258443   132.23329509   337.13813854
 Q    245 202 201     5.317119840650    82.55326752    36.04370150
 Q    347 245 202     3.086449841453    82.79969492    81.91123165
 Q    347 245 202     1.634039533407    85.37456911   102.46056874
 Q    160 159 158     3.302536343351    91.55117077    90.31170363
 Q    350 160 159     2.798964467898   147.81386041   208.69706676
 Q    350 160 159     1.549344958270   172.59780578   163.69377012
 Q    139 138 137     4.337034694757   104.15735042    89.79160636
 Q    353 139 138     2.813471587095   136.69369753   236.49406735
 Q    354 353 139     1.574721384764    26.85982324   188.09390396
 Q    287 233 105     4.261280055669   126.17729197   245.10301189
 Q    356 287 233     2.839498238012    82.32026388    80.41673718
 Q    357 356 287     1.589393369443    27.28284209   315.68464822
 Q     59  15   1     3.870664738618   122.92398650   113.55024748
 Q    359  59  15     2.882931903118   159.35321736   251.05076243
 Q    359  59  15     1.583991847042   172.73503055   134.79695445
 Q    356 287 233     4.786680400456   170.77031032   356.98884514
 Q    362 356 358     2.935469214646    71.11886093   159.06203227
 Q    363 362 356     1.595672035869    25.45845703   287.86937011
 Q     90  89  19     4.083339190362   129.30752085    21.80631226
 Q    365  90  89     2.757057972478    89.32389829   222.21142735
 Q    366 365  90     1.539518024706    26.97275800   298.45552152
 Q    119  95  79     7.276549917192    81.78312712   146.72890437
 Q    368 119  95     2.986604394688    83.61571300   242.27837910
 Q    368 119  95     1.613476459027    89.09199524   265.00943084
 Q    106 105 104     3.617628850976    81.93209173   207.97814322
 Q    371 106 105     2.907845831266   144.74219510   121.93909801
 Q    371 106 105     1.591638593574   165.02041265   161.92522441
 Q    330 329 181     3.708536382461    79.42987341   270.47698213
 Q    374 330 329     2.984750493642   151.24050075   129.42780772
 Q    375 374 330     1.595000503805    23.19159726   309.93398166
 Q    320  50  27     6.710789742266   105.63120635   132.48265648
 Q    377 320  50     2.793856398183    60.24196313    21.69336468
 Q    378 377 320     1.560826847644    26.74387882   126.97604281
 Q    311 221  75     4.751825240634    61.81112099   239.63746317
 Q    380 311 221     2.954809042766    78.48923547    82.12358381
 Q    381 380 311     1.634476559233    25.60519176    59.38211007
 Q    243 242  49     3.982886431539   175.54060691   146.07248761
 Q    383 243 244     2.918632919702    87.63900720   166.13223125
 Q    384 383 243     1.598355342757    25.16997029    17.37702749
 Q    220 219 218     3.834887131520    82.75180011   227.17274100
 Q    386 220 219     2.914347382509   139.85629420   244.40942142
 Q    387 386 220     1.602149001263    25.02181606   166.69765826
 Q    158 128  98     4.538884574916   119.99166968   264.26398075
 Q    389 158 128     2.857675825675    75.62410548    22.25326292
 Q    390 389 158     1.573133163095    24.86214243   313.81882838
 Q    280 279 278     7.987754119620   127.62553084   192.71000552
 Q    392 280 279     3.056161014170    32.09590650    65.42067216
 Q    393 392 280     1.651214105301    22.86392453     0.33090882
 Q    115 114 113     4.145742161615    91.84925381   143.16028859
 Q    395 115 114     3.048556429089   168.02263052   221.18828955
 Q    395 115 114     1.626262782032   167.63839445    80.08635488
 Q    295 293 159     3.815843270518   112.20056165   128.13391354
 Q    398 295 293     2.655989745248   132.96297674   123.71842055
 Q    399 398 295     1.516262364387    28.87715637   174.14681961
 Q     72  71  66     4.701621911369   148.79725148    87.42335875
 Q    401  72  71     2.866098480561    78.55591889   124.81908681
 Q    402 401  72     1.548538037735    24.92305482    24.61448853
 Q    104  93  92     5.059316032063    59.83951207    36.15813853
 Q    404 104  93     2.738799324705   105.11361244   348.59147669
 Q    404 104  93     1.535453360210   122.47443011   324.57109704
 Q    402 401  72     5.515152043414   127.41157486    67.08605200
 Q    407 402 401     3.050020321816    60.59131613   127.31017957
 Q    408 407 402     1.616461616915    24.98583583   239.49690700
 Q    125  43  41     5.993620281431    88.92570396    87.68013565
 Q    410 125  43     2.910669042810    62.58650030   286.01255448
 Q    411 410 125     1.564026671748    22.32955912   346.85960843
 Q    217 216 215     6.906503071080    88.18994534    98.18195869
 Q    413 217 216     2.870580458248     8.39267702    83.40656655
 Q    413 217 216     1.565738173269    24.60533738   347.57599351
 Q    178 177 176     3.890817158349   108.59275205   246.86226279
 Q    416 178 177     2.898435799881   142.19174910   344.10793737
 Q    417 416 178     1.547499950222    24.32668343   190.21558355
 Q    284 231 230     5.941708872417    97.36859011   344.85376444
 Q    419 284 231     2.918327018608   107.13756395   273.24118280
 Q    419 284 231     1.588044711271    81.82767858   268.55774505
 Q    405 404 104     4.191700529642   159.38300613    37.01088128
 Q    422 405 404     3.037113849783    86.63742160   333.46494912
 Q    422 405 404     1.615246107443    66.80991625   345.69197889
 Q    149 109 107     7.756767588425    98.24926799   221.78136853
 Q    425 149 109     2.948760049681    48.53837680    94.12991546
 Q    425 149 109     1.616019719253    29.24733461   122.77110916
 Q    378 377 320     4.998923942149    94.65358260   218.33250036
 Q    428 378 377     2.782200602615   104.00002276   216.83231665
 Q    429 428 378     1.527992868527    24.83048862   128.02918132
 Q    107  84  83     6.277418779295    85.20886974   247.38493701
 Q    431 107  84     2.867095081098    99.14481998   118.86578723
 Q    432 431 107     1.557047184348    24.94343276   299.37298998
 Q    222 221  75     4.170947084050   132.62464085   282.50209426
 Q    434 222 221     3.102490648970    73.73032056   162.68166679
 Q    434 222 221     1.649374794060    68.85898315   184.24301558
 Q    130 128  98     3.614765044539    94.39616013   203.97579734
 Q    437 130 128     2.976183677427   126.83276142   343.56698124
 Q    438 437 130     1.626811657400    24.57487726   187.08162955
 Q    378 377 320     6.336559159367   140.97841715    99.85641058
 Q    440 378 377     2.841509748572   120.16268426   185.25030546
 Q    440 378 377     1.558651797257   107.28808174   161.56473091
 Q    407 402 401     4.026181158934    71.12268565   347.38029238
 Q    443 407 402     2.778604367298   159.15103007   148.72183308
 Q    443 407 402     1.518968402185   132.73710597   160.31849440
 Q    335 120 119     4.916375953200   104.89547277   344.34875402
 Q    446 335 120     2.789251137253    72.99714504   201.82633028
 Q    446 335 120     1.547615327665    49.48730033   188.50249961
 Q    348 347 245     3.906480331188    90.27491104    41.81104493
 Q    449 348 347     2.997108031407   127.12221612   174.32622792
 Q    450 449 348     1.605043984098    21.78161366   238.47843994
 Q    339 338 150     6.114804545483    82.14716866   237.72232569
 Q    452 339 338     2.911221090049   137.79200518   280.28267085
 Q    453 452 339     1.596790628390    24.99794735   347.57001993
 Q    293 159 158     4.253731132234   122.38214713   325.33199531
 Q    455 293 159     2.913183077443    73.69203930   217.33680872
 Q    456 455 293     1.573019657329    24.65980444   306.73320035
 Q    247 245 202     3.651917144560   119.09303504   251.62102481
 Q    458 247 245     3.026985005072   163.55584340   178.49657721
 Q    458 247 245     1.615246107443   158.98995178   105.68046298
 Q    312 311 221     5.622181383827   112.54483834   287.00155576
 Q    461 312 311     3.043221912891   109.98252207   266.58171285
 Q    462 461 312     1.644170337875    23.39033542   202.22784692
 Q    113  78  77     3.898198597297    38.92106749    44.84308513
 Q    464 113  78     3.106114282439    76.10401263    57.00508026
 Q    464 113  78     1.644821795473    69.29534667    35.10161657
 Q     92   8   7     3.748570810647   104.51995298   186.00818226
 Q    467  92   8     2.942455905539   143.06607178   330.33526421
 Q    467  92   8     1.576081443793   165.56570676   306.35046788
 Q    253 252 251     4.555611983861    82.63385526   140.53056165
 Q    470 253 252     2.862545271357   163.83631298   339.86681781
 Q    470 253 252     1.553832987381   139.01738425   346.23659290
 Q    465 464 113     4.170005184079   153.68140763   186.27307799
 Q    473 465 464     2.838680654698    78.74792953   241.44307850
 Q    474 473 465     1.587369952494    26.62640777    31.14450301
 Q    412 411 410     3.920942658859   101.44664308   253.31517818
 Q    476 412 411     3.023620867639   154.90554072    63.67613004
 Q    477 476 412     1.650673344158    24.72490273   223.43480143
 Q    130 128  98     3.706658191293   104.06034259   126.57594551
 Q    479 130 128     2.729264405298   151.14612229   136.78332168
 Q    479 130 128     1.519791022556   174.26439690   212.35270273
 Q    229 227 228     3.633093714737    91.32494391   137.71753210
 Q    482 229 227     2.786176734403   128.67940070   326.85328720
 Q    483 482 229     1.565396022664    27.30001973   169.15975323
 Q    244 242  49     4.286013853527    83.00313399   134.98230641
 Q    485 244 242     2.973362621164    96.85914875   230.50498591
 Q    485 244 242     1.588381983169   119.58120707   227.78501925
 Q    155 141 140     6.207110341194   134.43214604   178.87199245
 Q    488 155 141     3.041050257907   133.86507687   269.40881320
 Q    489 488 155     1.613476459027    22.56698783    15.06284603
 Q    445 443 407     5.765770903583   101.90202874   289.99807154
 Q    491 445 443     2.915878654555    70.60758780   160.50443873
 Q    492 491 445     1.594328688891    25.87566723   211.59878673
 Q    301 299 300     4.424704057356    80.06494161   159.88507419
 Q    494 301 299     3.000680413022   152.86662373   242.52958496
 Q    494 301 299     1.613365791551   162.31896031   308.51719018
 Q    243 242  49     3.662804059343    90.18923128   341.79354680
 Q    497 243 242     2.898928584481   149.71447498    81.85977282
 Q    497 243 242     1.587707367728   172.37623488   131.91443949
 Q    115 114 113     3.637416021139   130.12862761   227.97101260
 Q    500 115 114     2.911221090049   147.14146374   270.78463506
 Q    500 115 114     1.574381186427   168.58270968   303.71601508
 Q    421 419 284     3.782238586814   136.83528755   352.47031356
 Q    503 421 419     2.980320390382   122.40709954   200.51422683
 Q    504 503 421     1.587707367728    24.23312670   174.36907198
 Q    427 425 149     3.676088090327    94.57876375    37.87766463
 Q    506 427 425     2.902375733971   159.72423213   266.16465426
 Q    507 506 427     1.556588419699    25.69636878   151.56759550
 Q    240 239 112     4.779288877213   124.12716410   128.08005206
 Q    509 240 239     2.851107669592   105.69310810   346.51509105
 Q    510 509 240     1.560254759934    25.69642544   137.26576096
 Q    259 257 170     4.390554091157    91.14949379   354.98712684
 Q    512 259 257     2.859112550046   140.68145779   131.74793042
 Q    512 259 257     1.529978109821   140.44323932   173.65741093
 Q    240 239 112     3.842887147329    91.07836456    39.79644659
 Q    515 240 239     2.937354219567    82.94743169   180.02579632
 Q    516 515 240     1.591638593574    22.78814278   312.63961602
 Q    436 434 222     3.948080674551   127.22796427    74.31841787
 Q    518 436 434     2.935955783391   128.02491781   269.51905674
 Q    518 436 434     1.616019719253   151.29086701   249.26992726
 Q    211 210 209     3.672394798344    97.88967441   172.26629065
 Q    521 211 210     2.809343419697   158.49829387   197.59261392
 Q    522 521 211     1.544150254295    26.05745596   231.69525381
 Q    428 378 377     4.058074125437    60.75451930    81.46121308
 Q    524 428 378     3.084250731917    76.45621170   205.43745308
 Q    525 524 428     1.608599887618    23.88824359    53.20740558
 Q     74  54  53     3.853188195122   107.35588391   339.84216153
 Q    527  74  54     2.857800786903   143.77099758   193.24046384
 Q    528 527  74     1.544843890740    24.13671947   219.80891314
 Q    365  90  89     3.948171124170   105.58484998   119.52975767
 Q    530 365  90     2.923645130967   123.46446573   246.50077236
 Q    530 365  90     1.566764176769   125.02593307   215.77115303
 Q    249 248  98     4.241961660509   167.29314268   320.51266640
 Q    533 249 250     2.831437905632   100.38866221   120.42180616
 Q    533 249 250     1.572338450661    79.26490291   103.70618048
 Q    522 521 211     3.763023185447   167.22714887   261.37841995
 Q    536 522 523     3.069103742863   106.48654404   182.77265203
 Q    537 536 522     1.668532938186    24.58492368     8.30310099
 Q    406 404 104     3.838377560631   118.08216177   298.07582611
 Q    539 406 404     2.965425301836   157.34660544   299.50770928
 Q    539 406 404     1.628457173507   174.23409600   193.83293729
 Q     62  15   1     3.326937861964   146.22854364   100.50991625
 Q    542  62  15     2.888809698508   147.32847666    26.68733842
 Q    542  62  15     1.551878262755   172.08080665    42.31805186
 Q    199 197  37     3.777609335538    95.93634463    12.38075813
 Q    545 199 197     2.783804564862   139.47439062    83.21180629
 Q    546 545 199     1.527992868527    26.52057697   135.94545217
 Q    154 153 152     3.836004414383    94.18742063   148.23972994
 Q    548 154 153     2.916184812477   142.64416020   313.47009118
 Q    548 154 153     1.584893379185   159.69661293   272.98287606
 Q    292 291 290     4.209213846133   117.57292325   148.47886268
 Q    551 292 291     3.017946475429   154.39080584   245.48086490
 Q    552 551 292     1.645038890676    23.67859276   140.28759368
 Q    333 332  93     4.131288830104   107.93611577   152.77271998
 Q    554 333 332     2.886336296198   101.35264257   185.41812174
 Q    554 333 332     1.584893379185    79.95205205   200.70883219
 Q    281 169 167     3.615851582949    63.06384900    72.53692996
 Q    557 281 169     2.815374853545   176.31806784   118.88778684
 Q    557 281 169     1.539054034935   152.94291893   179.00082008
 Q    157 156 155     3.787050777210   123.12106822   237.45005343
 Q    560 157 156     2.959216999934   154.66204056    19.92899789
 Q    561 560 157     1.606378370348    23.93280126   226.68675633
 Q    151 149 109     4.334440244703   113.19126178   209.71041895
 Q    563 151 149     2.896032274177   128.09279693   346.89369886
 Q    564 563 151     1.590291839481    25.20404421   201.09243794
 Q    523 522 521     3.740560015929    90.25505164   135.90627245
 Q    566 523 522     2.843645419485   118.05284555    60.99461637
 Q    566 523 522     1.569383138302   143.15931921    72.47567722
 Q    394 393 392     3.617431419871    95.86775819   240.02512835
 Q    569 394 393     3.040815391498   143.48380321   208.18727448
 Q    570 569 394     1.617455445239    23.86821580   202.22531874
 Q    163 161 120     3.930403221449   101.01706410   262.08036293
 Q    572 163 161     2.715293816972   142.93829349   244.27484416
 Q    572 163 161     1.530678168476   170.64576982   253.29181457
 Q    487 485 244     4.065810663213    94.67199528   278.32922349
 Q    575 487 485     2.866223074579   128.80658966    96.57770828
 Q    575 487 485     1.582300089807   151.66684054   115.10423521
 Q    347 245 202     4.521937349784   110.12870877   332.93536136
 Q    578 347 245     2.904220738120    70.01309619   298.41163951
 Q    579 578 347     1.615356646099    26.04542059   297.48612112
 Q    547 546 545     3.639820535227   124.38722786   197.45612912
 Q    581 547 546     2.933887308929   150.13282519   162.62543286
 Q    581 547 546     1.609376694204   173.52522060   132.94404061
 Q    433 432 431     3.782899445979   115.74310840   223.34611229
 Q    584 433 432     2.692975774153   129.17398054   239.45878941
 Q    585 584 433     1.463409579467    30.09551990   216.37120185
 Q     59  15   1     3.944279917542   100.34428972   190.67474628
 Q    587  59  15     2.849290939077   137.30725651    52.81669944
 Q    587  59  15     1.541835879112   152.52501684    89.83458818
 Q    171 170 159     4.026181158934   152.55712184   315.65809217
 Q    590 171 170     2.804126908314   122.64682178     7.41397213
 Q    590 171 170     1.540097815343   126.28944874   336.70478184
 Q    187 185  84     4.004347067859   101.45827504   129.93489779
 Q    593 187 185     2.724484432061   120.39003338    98.76401887
 Q    594 593 187     1.505389571152    26.62748088   153.92402152
 Q    306 305 166     5.131189347054   125.16495176    85.70800229
 Q    596 306 305     2.998537494778    69.59198955    68.29644873
 Q    596 306 305     1.598690439447    48.14338303    69.20033676
 Q    194 117 116     4.769453130706   126.14906257   217.47125240
 Q    599 194 117     3.066542857855    64.50946657   305.46111060
 Q    599 194 117     1.670351153523    50.12025509   282.91053927
 Q    425 149 109     5.205569553848   116.49827870   285.53003672
 Q    602 425 149     2.941727634946    70.88400929   315.77680161
 Q    603 602 425     1.590965359031    23.66237822   202.52508442
 Q    571 570 569     3.678612943098    80.87972527   211.17276092
 Q    605 571 570     2.956319357133   125.73964449   285.02132245
 Q    606 605 571     1.585006034648    25.30968135   187.93101000
 Q    349 347 245     3.369705467728    88.62126217   189.22442412
 Q    608 349 347     2.944639636618   150.92267803   341.51703474
 Q    608 349 347     1.611815649056   168.18343872    44.37068148
 Q    419 284 231     4.594561221776    84.32082476   100.46095617
 Q    611 419 284     3.083150588942    77.47002636   272.64585357
 Q    611 419 284     1.629334102581    58.52952959   265.55687282
 Q    193 192 191     3.895495221572   105.04800284   195.33359896
 Q    614 193 192     2.860923043692   163.53103729   278.03636250
 Q    615 614 193     1.528693836314    26.58628454   140.50392545
 Q    343 342 341     4.159243862438   122.55172303   231.09530138
 Q    617 343 342     2.832824907428   106.60356517    18.62862428
 Q    618 617 343     1.575061509622    27.60679626   152.59300447
 Q    471 470 253     3.646975606668    81.67049077   286.54177753
 Q    620 471 470     3.091594265273   130.67897158   224.55878153
 Q    621 620 471     1.669281854935    23.55898484   262.27260904
 Q    346 344 283     3.788417832983   120.33764899   256.39923257
 Q    623 346 344     2.885098799873   149.38259207   208.43321289
 Q    624 623 346     1.580493552795    24.93208943   151.40558449
 Q    609 608 349     4.304180559301   164.07242023   260.23415364
 Q    626 609 608     3.043573927148    65.18137734    83.29262113
 Q    627 626 609     1.634148800821    23.23539121    17.21100981
 Q    148 147 146     3.725828825247   108.67212974   113.38741222
 Q    629 148 147     2.996333454008   148.43990323    54.03345155
 Q    630 629 148     1.614250918921    22.47234733   193.93613430

---------------------
BASIS SET INFORMATION
---------------------
There are 4 groups of distinct atoms

 Group   1 Type C   : 19s6p3d2f contracted to 5s4p3d2f pattern {88111/3111/111/11}
 Group   2 Type H   : 5s2p1d contracted to 3s2p1d pattern {311/11/1}
 Group   3 Type O   : 19s6p3d2f contracted to 5s4p3d2f pattern {88111/3111/111/11}
 Group   4 Type Q,> :  contracted to  pattern {}

Atom   0C    basis set group =>   1
Atom   1H    basis set group =>   2
Atom   2H    basis set group =>   2
Atom   3C    basis set group =>   1
Atom   4H    basis set group =>   2
Atom   5H    basis set group =>   2
Atom   6C    basis set group =>   1
Atom   7H    basis set group =>   2
Atom   8H    basis set group =>   2
Atom   9C    basis set group =>   1
Atom  10H    basis set group =>   2
Atom  11H    basis set group =>   2
Atom  12O    basis set group =>   3
Atom  13H    basis set group =>   2
Atom  14O    basis set group =>   3
Atom  15H    basis set group =>   2
Atom  16O    basis set group =>   3
Atom  17H    basis set group =>   2
Atom  18H    basis set group =>   2
Atom  19O    basis set group =>   3
Atom  20H    basis set group =>   2
Atom  21H    basis set group =>   2
Atom  22O    basis set group =>   3
Atom  23H    basis set group =>   2
Atom  24H    basis set group =>   2
Atom  25O    basis set group =>   3
Atom  26H    basis set group =>   2
Atom  27H    basis set group =>   2
Atom  28O    basis set group =>   3
Atom  29H    basis set group =>   2
Atom  30H    basis set group =>   2
Atom  31O    basis set group =>   3
Atom  32H    basis set group =>   2
Atom  33H    basis set group =>   2
Atom  34O    basis set group =>   3
Atom  35H    basis set group =>   2
Atom  36H    basis set group =>   2
Atom  37O    basis set group =>   3
Atom  38H    basis set group =>   2
Atom  39H    basis set group =>   2
Atom  40O    basis set group =>   3
Atom  41H    basis set group =>   2
Atom  42H    basis set group =>   2
Atom  43O    basis set group =>   3
Atom  44H    basis set group =>   2
Atom  45H    basis set group =>   2
Atom  46O    basis set group =>   3
Atom  47H    basis set group =>   2
Atom  48H    basis set group =>   2
Atom  49O    basis set group =>   3
Atom  50H    basis set group =>   2
Atom  51H    basis set group =>   2
Atom  52O    basis set group =>   3
Atom  53H    basis set group =>   2
Atom  54H    basis set group =>   2
Atom  55O    basis set group =>   3
Atom  56H    basis set group =>   2
Atom  57H    basis set group =>   2
Atom  58O    basis set group =>   3
Atom  59H    basis set group =>   2
Atom  60H    basis set group =>   2
Atom  61O    basis set group =>   3
Atom  62H    basis set group =>   2
Atom  63H    basis set group =>   2
Atom  64O    basis set group =>   3
Atom  65H    basis set group =>   2
Atom  66H    basis set group =>   2
Atom  67O    basis set group =>   3
Atom  68H    basis set group =>   2
Atom  69H    basis set group =>   2
Atom  70O    basis set group =>   3
Atom  71H    basis set group =>   2
Atom  72H    basis set group =>   2
Atom  73O    basis set group =>   3
Atom  74H    basis set group =>   2
Atom  75H    basis set group =>   2
Atom  76O    basis set group =>   3
Atom  77H    basis set group =>   2
Atom  78H    basis set group =>   2
Atom  79O    basis set group =>   3
Atom  80H    basis set group =>   2
Atom  81H    basis set group =>   2
Atom  82O    basis set group =>   3
Atom  83H    basis set group =>   2
Atom  84H    basis set group =>   2
Atom  85O    basis set group =>   3
Atom  86H    basis set group =>   2
Atom  87H    basis set group =>   2
Atom  88O    basis set group =>   3
Atom  89H    basis set group =>   2
Atom  90H    basis set group =>   2
Atom  91O    basis set group =>   3
Atom  92H    basis set group =>   2
Atom  93H    basis set group =>   2
Atom  94O    basis set group =>   3
Atom  95H    basis set group =>   2
Atom  96H    basis set group =>   2
Atom  97O    basis set group =>   3
Atom  98H    basis set group =>   2
Atom  99H    basis set group =>   2
Atom 100O    basis set group =>   3
Atom 101H    basis set group =>   2
Atom 102H    basis set group =>   2
Atom 103Q    basis set group =>   4
Atom 104Q    basis set group =>   4
Atom 105Q    basis set group =>   4
Atom 106Q    basis set group =>   4
Atom 107Q    basis set group =>   4
Atom 108Q    basis set group =>   4
Atom 109Q    basis set group =>   4
Atom 110Q    basis set group =>   4
Atom 111Q    basis set group =>   4
Atom 112Q    basis set group =>   4
Atom 113Q    basis set group =>   4
Atom 114Q    basis set group =>   4
Atom 115Q    basis set group =>   4
Atom 116Q    basis set group =>   4
Atom 117Q    basis set group =>   4
Atom 118Q    basis set group =>   4
Atom 119Q    basis set group =>   4
Atom 120Q    basis set group =>   4
Atom 121Q    basis set group =>   4
Atom 122Q    basis set group =>   4
Atom 123Q    basis set group =>   4
Atom 124Q    basis set group =>   4
Atom 125Q    basis set group =>   4
Atom 126Q    basis set group =>   4
Atom 127Q    basis set group =>   4
Atom 128Q    basis set group =>   4
Atom 129Q    basis set group =>   4
Atom 130Q    basis set group =>   4
Atom 131Q    basis set group =>   4
Atom 132Q    basis set group =>   4
Atom 133Q    basis set group =>   4
Atom 134Q    basis set group =>   4
Atom 135Q    basis set group =>   4
Atom 136Q    basis set group =>   4
Atom 137Q    basis set group =>   4
Atom 138Q    basis set group =>   4
Atom 139Q    basis set group =>   4
Atom 140Q    basis set group =>   4
Atom 141Q    basis set group =>   4
Atom 142Q    basis set group =>   4
Atom 143Q    basis set group =>   4
Atom 144Q    basis set group =>   4
Atom 145Q    basis set group =>   4
Atom 146Q    basis set group =>   4
Atom 147Q    basis set group =>   4
Atom 148Q    basis set group =>   4
Atom 149Q    basis set group =>   4
Atom 150Q    basis set group =>   4
Atom 151Q    basis set group =>   4
Atom 152Q    basis set group =>   4
Atom 153Q    basis set group =>   4
Atom 154Q    basis set group =>   4
Atom 155Q    basis set group =>   4
Atom 156Q    basis set group =>   4
Atom 157Q    basis set group =>   4
Atom 158Q    basis set group =>   4
Atom 159Q    basis set group =>   4
Atom 160Q    basis set group =>   4
Atom 161Q    basis set group =>   4
Atom 162Q    basis set group =>   4
Atom 163Q    basis set group =>   4
Atom 164Q    basis set group =>   4
Atom 165Q    basis set group =>   4
Atom 166Q    basis set group =>   4
Atom 167Q    basis set group =>   4
Atom 168Q    basis set group =>   4
Atom 169Q    basis set group =>   4
Atom 170Q    basis set group =>   4
Atom 171Q    basis set group =>   4
Atom 172Q    basis set group =>   4
Atom 173Q    basis set group =>   4
Atom 174Q    basis set group =>   4
Atom 175Q    basis set group =>   4
Atom 176Q    basis set group =>   4
Atom 177Q    basis set group =>   4
Atom 178Q    basis set group =>   4
Atom 179Q    basis set group =>   4
Atom 180Q    basis set group =>   4
Atom 181Q    basis set group =>   4
Atom 182Q    basis set group =>   4
Atom 183Q    basis set group =>   4
Atom 184Q    basis set group =>   4
Atom 185Q    basis set group =>   4
Atom 186Q    basis set group =>   4
Atom 187Q    basis set group =>   4
Atom 188Q    basis set group =>   4
Atom 189Q    basis set group =>   4
Atom 190Q    basis set group =>   4
Atom 191Q    basis set group =>   4
Atom 192Q    basis set group =>   4
Atom 193Q    basis set group =>   4
Atom 194Q    basis set group =>   4
Atom 195Q    basis set group =>   4
Atom 196Q    basis set group =>   4
Atom 197Q    basis set group =>   4
Atom 198Q    basis set group =>   4
Atom 199Q    basis set group =>   4
Atom 200Q    basis set group =>   4
Atom 201Q    basis set group =>   4
Atom 202Q    basis set group =>   4
Atom 203Q    basis set group =>   4
Atom 204Q    basis set group =>   4
Atom 205Q    basis set group =>   4
Atom 206Q    basis set group =>   4
Atom 207Q    basis set group =>   4
Atom 208Q    basis set group =>   4
Atom 209Q    basis set group =>   4
Atom 210Q    basis set group =>   4
Atom 211Q    basis set group =>   4
Atom 212Q    basis set group =>   4
Atom 213Q    basis set group =>   4
Atom 214Q    basis set group =>   4
Atom 215Q    basis set group =>   4
Atom 216Q    basis set group =>   4
Atom 217Q    basis set group =>   4
Atom 218Q    basis set group =>   4
Atom 219Q    basis set group =>   4
Atom 220Q    basis set group =>   4
Atom 221Q    basis set group =>   4
Atom 222Q    basis set group =>   4
Atom 223Q    basis set group =>   4
Atom 224Q    basis set group =>   4
Atom 225Q    basis set group =>   4
Atom 226Q    basis set group =>   4
Atom 227Q    basis set group =>   4
Atom 228Q    basis set group =>   4
Atom 229Q    basis set group =>   4
Atom 230Q    basis set group =>   4
Atom 231Q    basis set group =>   4
Atom 232Q    basis set group =>   4
Atom 233Q    basis set group =>   4
Atom 234Q    basis set group =>   4
Atom 235Q    basis set group =>   4
Atom 236Q    basis set group =>   4
Atom 237Q    basis set group =>   4
Atom 238Q    basis set group =>   4
Atom 239Q    basis set group =>   4
Atom 240Q    basis set group =>   4
Atom 241Q    basis set group =>   4
Atom 242Q    basis set group =>   4
Atom 243Q    basis set group =>   4
Atom 244Q    basis set group =>   4
Atom 245Q    basis set group =>   4
Atom 246Q    basis set group =>   4
Atom 247Q    basis set group =>   4
Atom 248Q    basis set group =>   4
Atom 249Q    basis set group =>   4
Atom 250Q    basis set group =>   4
Atom 251Q    basis set group =>   4
Atom 252Q    basis set group =>   4
Atom 253Q    basis set group =>   4
Atom 254Q    basis set group =>   4
Atom 255Q    basis set group =>   4
Atom 256Q    basis set group =>   4
Atom 257Q    basis set group =>   4
Atom 258Q    basis set group =>   4
Atom 259Q    basis set group =>   4
Atom 260Q    basis set group =>   4
Atom 261Q    basis set group =>   4
Atom 262Q    basis set group =>   4
Atom 263Q    basis set group =>   4
Atom 264Q    basis set group =>   4
Atom 265Q    basis set group =>   4
Atom 266Q    basis set group =>   4
Atom 267Q    basis set group =>   4
Atom 268Q    basis set group =>   4
Atom 269Q    basis set group =>   4
Atom 270Q    basis set group =>   4
Atom 271Q    basis set group =>   4
Atom 272Q    basis set group =>   4
Atom 273Q    basis set group =>   4
Atom 274Q    basis set group =>   4
Atom 275Q    basis set group =>   4
Atom 276Q    basis set group =>   4
Atom 277Q    basis set group =>   4
Atom 278Q    basis set group =>   4
Atom 279Q    basis set group =>   4
Atom 280Q    basis set group =>   4
Atom 281Q    basis set group =>   4
Atom 282Q    basis set group =>   4
Atom 283Q    basis set group =>   4
Atom 284Q    basis set group =>   4
Atom 285Q    basis set group =>   4
Atom 286Q    basis set group =>   4
Atom 287Q    basis set group =>   4
Atom 288Q    basis set group =>   4
Atom 289Q    basis set group =>   4
Atom 290Q    basis set group =>   4
Atom 291Q    basis set group =>   4
Atom 292Q    basis set group =>   4
Atom 293Q    basis set group =>   4
Atom 294Q    basis set group =>   4
Atom 295Q    basis set group =>   4
Atom 296Q    basis set group =>   4
Atom 297Q    basis set group =>   4
Atom 298Q    basis set group =>   4
Atom 299Q    basis set group =>   4
Atom 300Q    basis set group =>   4
Atom 301Q    basis set group =>   4
Atom 302Q    basis set group =>   4
Atom 303Q    basis set group =>   4
Atom 304Q    basis set group =>   4
Atom 305Q    basis set group =>   4
Atom 306Q    basis set group =>   4
Atom 307Q    basis set group =>   4
Atom 308Q    basis set group =>   4
Atom 309Q    basis set group =>   4
Atom 310Q    basis set group =>   4
Atom 311Q    basis set group =>   4
Atom 312Q    basis set group =>   4
Atom 313Q    basis set group =>   4
Atom 314Q    basis set group =>   4
Atom 315Q    basis set group =>   4
Atom 316Q    basis set group =>   4
Atom 317Q    basis set group =>   4
Atom 318Q    basis set group =>   4
Atom 319Q    basis set group =>   4
Atom 320Q    basis set group =>   4
Atom 321Q    basis set group =>   4
Atom 322Q    basis set group =>   4
Atom 323Q    basis set group =>   4
Atom 324Q    basis set group =>   4
Atom 325Q    basis set group =>   4
Atom 326Q    basis set group =>   4
Atom 327Q    basis set group =>   4
Atom 328Q    basis set group =>   4
Atom 329Q    basis set group =>   4
Atom 330Q    basis set group =>   4
Atom 331Q    basis set group =>   4
Atom 332Q    basis set group =>   4
Atom 333Q    basis set group =>   4
Atom 334Q    basis set group =>   4
Atom 335Q    basis set group =>   4
Atom 336Q    basis set group =>   4
Atom 337Q    basis set group =>   4
Atom 338Q    basis set group =>   4
Atom 339Q    basis set group =>   4
Atom 340Q    basis set group =>   4
Atom 341Q    basis set group =>   4
Atom 342Q    basis set group =>   4
Atom 343Q    basis set group =>   4
Atom 344Q    basis set group =>   4
Atom 345Q    basis set group =>   4
Atom 346Q    basis set group =>   4
Atom 347Q    basis set group =>   4
Atom 348Q    basis set group =>   4
Atom 349Q    basis set group =>   4
Atom 350Q    basis set group =>   4
Atom 351Q    basis set group =>   4
Atom 352Q    basis set group =>   4
Atom 353Q    basis set group =>   4
Atom 354Q    basis set group =>   4
Atom 355Q    basis set group =>   4
Atom 356Q    basis set group =>   4
Atom 357Q    basis set group =>   4
Atom 358Q    basis set group =>   4
Atom 359Q    basis set group =>   4
Atom 360Q    basis set group =>   4
Atom 361Q    basis set group =>   4
Atom 362Q    basis set group =>   4
Atom 363Q    basis set group =>   4
Atom 364Q    basis set group =>   4
Atom 365Q    basis set group =>   4
Atom 366Q    basis set group =>   4
Atom 367Q    basis set group =>   4
Atom 368Q    basis set group =>   4
Atom 369Q    basis set group =>   4
Atom 370Q    basis set group =>   4
Atom 371Q    basis set group =>   4
Atom 372Q    basis set group =>   4
Atom 373Q    basis set group =>   4
Atom 374Q    basis set group =>   4
Atom 375Q    basis set group =>   4
Atom 376Q    basis set group =>   4
Atom 377Q    basis set group =>   4
Atom 378Q    basis set group =>   4
Atom 379Q    basis set group =>   4
Atom 380Q    basis set group =>   4
Atom 381Q    basis set group =>   4
Atom 382Q    basis set group =>   4
Atom 383Q    basis set group =>   4
Atom 384Q    basis set group =>   4
Atom 385Q    basis set group =>   4
Atom 386Q    basis set group =>   4
Atom 387Q    basis set group =>   4
Atom 388Q    basis set group =>   4
Atom 389Q    basis set group =>   4
Atom 390Q    basis set group =>   4
Atom 391Q    basis set group =>   4
Atom 392Q    basis set group =>   4
Atom 393Q    basis set group =>   4
Atom 394Q    basis set group =>   4
Atom 395Q    basis set group =>   4
Atom 396Q    basis set group =>   4
Atom 397Q    basis set group =>   4
Atom 398Q    basis set group =>   4
Atom 399Q    basis set group =>   4
Atom 400Q    basis set group =>   4
Atom 401Q    basis set group =>   4
Atom 402Q    basis set group =>   4
Atom 403Q    basis set group =>   4
Atom 404Q    basis set group =>   4
Atom 405Q    basis set group =>   4
Atom 406Q    basis set group =>   4
Atom 407Q    basis set group =>   4
Atom 408Q    basis set group =>   4
Atom 409Q    basis set group =>   4
Atom 410Q    basis set group =>   4
Atom 411Q    basis set group =>   4
Atom 412Q    basis set group =>   4
Atom 413Q    basis set group =>   4
Atom 414Q    basis set group =>   4
Atom 415Q    basis set group =>   4
Atom 416Q    basis set group =>   4
Atom 417Q    basis set group =>   4
Atom 418Q    basis set group =>   4
Atom 419Q    basis set group =>   4
Atom 420Q    basis set group =>   4
Atom 421Q    basis set group =>   4
Atom 422Q    basis set group =>   4
Atom 423Q    basis set group =>   4
Atom 424Q    basis set group =>   4
Atom 425Q    basis set group =>   4
Atom 426Q    basis set group =>   4
Atom 427Q    basis set group =>   4
Atom 428Q    basis set group =>   4
Atom 429Q    basis set group =>   4
Atom 430Q    basis set group =>   4
Atom 431Q    basis set group =>   4
Atom 432Q    basis set group =>   4
Atom 433Q    basis set group =>   4
Atom 434Q    basis set group =>   4
Atom 435Q    basis set group =>   4
Atom 436Q    basis set group =>   4
Atom 437Q    basis set group =>   4
Atom 438Q    basis set group =>   4
Atom 439Q    basis set group =>   4
Atom 440Q    basis set group =>   4
Atom 441Q    basis set group =>   4
Atom 442Q    basis set group =>   4
Atom 443Q    basis set group =>   4
Atom 444Q    basis set group =>   4
Atom 445Q    basis set group =>   4
Atom 446Q    basis set group =>   4
Atom 447Q    basis set group =>   4
Atom 448Q    basis set group =>   4
Atom 449Q    basis set group =>   4
Atom 450Q    basis set group =>   4
Atom 451Q    basis set group =>   4
Atom 452Q    basis set group =>   4
Atom 453Q    basis set group =>   4
Atom 454Q    basis set group =>   4
Atom 455Q    basis set group =>   4
Atom 456Q    basis set group =>   4
Atom 457Q    basis set group =>   4
Atom 458Q    basis set group =>   4
Atom 459Q    basis set group =>   4
Atom 460Q    basis set group =>   4
Atom 461Q    basis set group =>   4
Atom 462Q    basis set group =>   4
Atom 463Q    basis set group =>   4
Atom 464Q    basis set group =>   4
Atom 465Q    basis set group =>   4
Atom 466Q    basis set group =>   4
Atom 467Q    basis set group =>   4
Atom 468Q    basis set group =>   4
Atom 469Q    basis set group =>   4
Atom 470Q    basis set group =>   4
Atom 471Q    basis set group =>   4
Atom 472Q    basis set group =>   4
Atom 473Q    basis set group =>   4
Atom 474Q    basis set group =>   4
Atom 475Q    basis set group =>   4
Atom 476Q    basis set group =>   4
Atom 477Q    basis set group =>   4
Atom 478Q    basis set group =>   4
Atom 479Q    basis set group =>   4
Atom 480Q    basis set group =>   4
Atom 481Q    basis set group =>   4
Atom 482Q    basis set group =>   4
Atom 483Q    basis set group =>   4
Atom 484Q    basis set group =>   4
Atom 485Q    basis set group =>   4
Atom 486Q    basis set group =>   4
Atom 487Q    basis set group =>   4
Atom 488Q    basis set group =>   4
Atom 489Q    basis set group =>   4
Atom 490Q    basis set group =>   4
Atom 491Q    basis set group =>   4
Atom 492Q    basis set group =>   4
Atom 493Q    basis set group =>   4
Atom 494Q    basis set group =>   4
Atom 495Q    basis set group =>   4
Atom 496Q    basis set group =>   4
Atom 497Q    basis set group =>   4
Atom 498Q    basis set group =>   4
Atom 499Q    basis set group =>   4
Atom 500Q    basis set group =>   4
Atom 501Q    basis set group =>   4
Atom 502Q    basis set group =>   4
Atom 503Q    basis set group =>   4
Atom 504Q    basis set group =>   4
Atom 505Q    basis set group =>   4
Atom 506Q    basis set group =>   4
Atom 507Q    basis set group =>   4
Atom 508Q    basis set group =>   4
Atom 509Q    basis set group =>   4
Atom 510Q    basis set group =>   4
Atom 511Q    basis set group =>   4
Atom 512Q    basis set group =>   4
Atom 513Q    basis set group =>   4
Atom 514Q    basis set group =>   4
Atom 515Q    basis set group =>   4
Atom 516Q    basis set group =>   4
Atom 517Q    basis set group =>   4
Atom 518Q    basis set group =>   4
Atom 519Q    basis set group =>   4
Atom 520Q    basis set group =>   4
Atom 521Q    basis set group =>   4
Atom 522Q    basis set group =>   4
Atom 523Q    basis set group =>   4
Atom 524Q    basis set group =>   4
Atom 525Q    basis set group =>   4
Atom 526Q    basis set group =>   4
Atom 527Q    basis set group =>   4
Atom 528Q    basis set group =>   4
Atom 529Q    basis set group =>   4
Atom 530Q    basis set group =>   4
Atom 531Q    basis set group =>   4
Atom 532Q    basis set group =>   4
Atom 533Q    basis set group =>   4
Atom 534Q    basis set group =>   4
Atom 535Q    basis set group =>   4
Atom 536Q    basis set group =>   4
Atom 537Q    basis set group =>   4
Atom 538Q    basis set group =>   4
Atom 539Q    basis set group =>   4
Atom 540Q    basis set group =>   4
Atom 541Q    basis set group =>   4
Atom 542Q    basis set group =>   4
Atom 543Q    basis set group =>   4
Atom 544Q    basis set group =>   4
Atom 545Q    basis set group =>   4
Atom 546Q    basis set group =>   4
Atom 547Q    basis set group =>   4
Atom 548Q    basis set group =>   4
Atom 549Q    basis set group =>   4
Atom 550Q    basis set group =>   4
Atom 551Q    basis set group =>   4
Atom 552Q    basis set group =>   4
Atom 553Q    basis set group =>   4
Atom 554Q    basis set group =>   4
Atom 555Q    basis set group =>   4
Atom 556Q    basis set group =>   4
Atom 557Q    basis set group =>   4
Atom 558Q    basis set group =>   4
Atom 559Q    basis set group =>   4
Atom 560Q    basis set group =>   4
Atom 561Q    basis set group =>   4
Atom 562Q    basis set group =>   4
Atom 563Q    basis set group =>   4
Atom 564Q    basis set group =>   4
Atom 565Q    basis set group =>   4
Atom 566Q    basis set group =>   4
Atom 567Q    basis set group =>   4
Atom 568Q    basis set group =>   4
Atom 569Q    basis set group =>   4
Atom 570Q    basis set group =>   4
Atom 571Q    basis set group =>   4
Atom 572Q    basis set group =>   4
Atom 573Q    basis set group =>   4
Atom 574Q    basis set group =>   4
Atom 575Q    basis set group =>   4
Atom 576Q    basis set group =>   4
Atom 577Q    basis set group =>   4
Atom 578Q    basis set group =>   4
Atom 579Q    basis set group =>   4
Atom 580Q    basis set group =>   4
Atom 581Q    basis set group =>   4
Atom 582Q    basis set group =>   4
Atom 583Q    basis set group =>   4
Atom 584Q    basis set group =>   4
Atom 585Q    basis set group =>   4
Atom 586Q    basis set group =>   4
Atom 587Q    basis set group =>   4
Atom 588Q    basis set group =>   4
Atom 589Q    basis set group =>   4
Atom 590Q    basis set group =>   4
Atom 591Q    basis set group =>   4
Atom 592Q    basis set group =>   4
Atom 593Q    basis set group =>   4
Atom 594Q    basis set group =>   4
Atom 595Q    basis set group =>   4
Atom 596Q    basis set group =>   4
Atom 597Q    basis set group =>   4
Atom 598Q    basis set group =>   4
Atom 599Q    basis set group =>   4
Atom 600Q    basis set group =>   4
Atom 601Q    basis set group =>   4
Atom 602Q    basis set group =>   4
Atom 603Q    basis set group =>   4
Atom 604Q    basis set group =>   4
Atom 605Q    basis set group =>   4
Atom 606Q    basis set group =>   4
Atom 607Q    basis set group =>   4
Atom 608Q    basis set group =>   4
Atom 609Q    basis set group =>   4
Atom 610Q    basis set group =>   4
Atom 611Q    basis set group =>   4
Atom 612Q    basis set group =>   4
Atom 613Q    basis set group =>   4
Atom 614Q    basis set group =>   4
Atom 615Q    basis set group =>   4
Atom 616Q    basis set group =>   4
Atom 617Q    basis set group =>   4
Atom 618Q    basis set group =>   4
Atom 619Q    basis set group =>   4
Atom 620Q    basis set group =>   4
Atom 621Q    basis set group =>   4
Atom 622Q    basis set group =>   4
Atom 623Q    basis set group =>   4
Atom 624Q    basis set group =>   4
Atom 625Q    basis set group =>   4
Atom 626Q    basis set group =>   4
Atom 627Q    basis set group =>   4
Atom 628Q    basis set group =>   4
Atom 629Q    basis set group =>   4
Atom 630Q    basis set group =>   4

-------------------------
BASIS SET IN INPUT FORMAT
-------------------------

 # Basis set for element : H 
 NewGTO H 
 S 3 
   1      33.8700000000      0.0254948632
   2       5.0950000000      0.1903627659
   3       1.1590000000      0.8521620222
 S 1 
   1       0.3258000000      1.0000000000
 S 1 
   1       0.1027000000      1.0000000000
 P 1 
   1       1.4070000000      1.0000000000
 P 1 
   1       0.3880000000      1.0000000000
 D 1 
   1       1.0570000000      1.0000000000
  end;

 # Basis set for element : C 
 NewGTO C 
 S 8 
   1    8236.0000000000      0.0005424302
   2    1235.0000000000      0.0041964279
   3     280.8000000000      0.0215409141
   4      79.2700000000      0.0836149496
   5      25.5900000000      0.2398716189
   6       8.9970000000      0.4437518201
   7       3.3190000000      0.3535796965
   8       0.3643000000     -0.0091763661
 S 8 
   1    8236.0000000000     -0.0001963922
   2    1235.0000000000     -0.0015259503
   3     280.8000000000     -0.0078904490
   4      79.2700000000     -0.0315148705
   5      25.5900000000     -0.0969100083
   6       8.9970000000     -0.2205415263
   7       3.3190000000     -0.2960691129
   8       0.3643000000      1.0405034329
 S 1 
   1       0.9059000000      1.0000000000
 S 1 
   1       0.1285000000      1.0000000000
 S 1 
   1       0.0440200000      1.0000000000
 P 3 
   1      18.7100000000      0.0394263872
   2       4.1330000000      0.2440889849
   3       1.2000000000      0.8154920089
 P 1 
   1       0.3827000000      1.0000000000
 P 1 
   1       0.1209000000      1.0000000000
 P 1 
   1       0.0356900000      1.0000000000
 D 1 
   1       1.0970000000      1.0000000000
 D 1 
   1       0.3180000000      1.0000000000
 D 1 
   1       0.1000000000      1.0000000000
 F 1 
   1       0.7610000000      1.0000000000
 F 1 
   1       0.2680000000      1.0000000000
  end;

 # Basis set for element : O 
 NewGTO O 
 S 8 
   1   15330.0000000000      0.0005201983
   2    2299.0000000000      0.0040233448
   3     522.4000000000      0.0207290833
   4     147.3000000000      0.0810823271
   5      47.5500000000      0.2362263521
   6      16.7600000000      0.4435182094
   7       6.2070000000      0.3586705887
   8       0.6882000000     -0.0083497972
 S 8 
   1   15330.0000000000     -0.0001972360
   2    2299.0000000000     -0.0015350107
   3     522.4000000000     -0.0079511839
   4     147.3000000000     -0.0321134529
   5      47.5500000000     -0.1002696430
   6      16.7600000000     -0.2340471118
   7       6.2070000000     -0.3014109278
   8       0.6882000000      1.0349196495
 S 1 
   1       1.7520000000      1.0000000000
 S 1 
   1       0.2384000000      1.0000000000
 S 1 
   1       0.0737600000      1.0000000000
 P 3 
   1      34.4600000000      0.0411634896
   2       7.7490000000      0.2577628359
   3       2.2800000000      0.8024192744
 P 1 
   1       0.7156000000      1.0000000000
 P 1 
   1       0.2140000000      1.0000000000
 P 1 
   1       0.0597400000      1.0000000000
 D 1 
   1       2.3140000000      1.0000000000
 D 1 
   1       0.6450000000      1.0000000000
 D 1 
   1       0.2140000000      1.0000000000
 F 1 
   1       1.4280000000      1.0000000000
 F 1 
   1       0.5000000000      1.0000000000
  end;

 # Basis set for element : Q 
 NewGTO Q 
  end;

---------------------------------
AUXILIARY/J BASIS SET INFORMATION
---------------------------------
There are 4 groups of distinct atoms

 Group   1 Type C   : 12s5p4d2f1g contracted to 6s4p3d1f1g pattern {711111/2111/211/2/1}
 Group   2 Type H   : 5s2p1d contracted to 3s1p1d pattern {311/2/1}
 Group   3 Type O   : 12s5p4d2f1g contracted to 6s4p3d1f1g pattern {711111/2111/211/2/1}
 Group   4 Type Q,> :  contracted to  pattern {}

Atom   0C    basis set group =>   1
Atom   1H    basis set group =>   2
Atom   2H    basis set group =>   2
Atom   3C    basis set group =>   1
Atom   4H    basis set group =>   2
Atom   5H    basis set group =>   2
Atom   6C    basis set group =>   1
Atom   7H    basis set group =>   2
Atom   8H    basis set group =>   2
Atom   9C    basis set group =>   1
Atom  10H    basis set group =>   2
Atom  11H    basis set group =>   2
Atom  12O    basis set group =>   3
Atom  13H    basis set group =>   2
Atom  14O    basis set group =>   3
Atom  15H    basis set group =>   2
Atom  16O    basis set group =>   3
Atom  17H    basis set group =>   2
Atom  18H    basis set group =>   2
Atom  19O    basis set group =>   3
Atom  20H    basis set group =>   2
Atom  21H    basis set group =>   2
Atom  22O    basis set group =>   3
Atom  23H    basis set group =>   2
Atom  24H    basis set group =>   2
Atom  25O    basis set group =>   3
Atom  26H    basis set group =>   2
Atom  27H    basis set group =>   2
Atom  28O    basis set group =>   3
Atom  29H    basis set group =>   2
Atom  30H    basis set group =>   2
Atom  31O    basis set group =>   3
Atom  32H    basis set group =>   2
Atom  33H    basis set group =>   2
Atom  34O    basis set group =>   3
Atom  35H    basis set group =>   2
Atom  36H    basis set group =>   2
Atom  37O    basis set group =>   3
Atom  38H    basis set group =>   2
Atom  39H    basis set group =>   2
Atom  40O    basis set group =>   3
Atom  41H    basis set group =>   2
Atom  42H    basis set group =>   2
Atom  43O    basis set group =>   3
Atom  44H    basis set group =>   2
Atom  45H    basis set group =>   2
Atom  46O    basis set group =>   3
Atom  47H    basis set group =>   2
Atom  48H    basis set group =>   2
Atom  49O    basis set group =>   3
Atom  50H    basis set group =>   2
Atom  51H    basis set group =>   2
Atom  52O    basis set group =>   3
Atom  53H    basis set group =>   2
Atom  54H    basis set group =>   2
Atom  55O    basis set group =>   3
Atom  56H    basis set group =>   2
Atom  57H    basis set group =>   2
Atom  58O    basis set group =>   3
Atom  59H    basis set group =>   2
Atom  60H    basis set group =>   2
Atom  61O    basis set group =>   3
Atom  62H    basis set group =>   2
Atom  63H    basis set group =>   2
Atom  64O    basis set group =>   3
Atom  65H    basis set group =>   2
Atom  66H    basis set group =>   2
Atom  67O    basis set group =>   3
Atom  68H    basis set group =>   2
Atom  69H    basis set group =>   2
Atom  70O    basis set group =>   3
Atom  71H    basis set group =>   2
Atom  72H    basis set group =>   2
Atom  73O    basis set group =>   3
Atom  74H    basis set group =>   2
Atom  75H    basis set group =>   2
Atom  76O    basis set group =>   3
Atom  77H    basis set group =>   2
Atom  78H    basis set group =>   2
Atom  79O    basis set group =>   3
Atom  80H    basis set group =>   2
Atom  81H    basis set group =>   2
Atom  82O    basis set group =>   3
Atom  83H    basis set group =>   2
Atom  84H    basis set group =>   2
Atom  85O    basis set group =>   3
Atom  86H    basis set group =>   2
Atom  87H    basis set group =>   2
Atom  88O    basis set group =>   3
Atom  89H    basis set group =>   2
Atom  90H    basis set group =>   2
Atom  91O    basis set group =>   3
Atom  92H    basis set group =>   2
Atom  93H    basis set group =>   2
Atom  94O    basis set group =>   3
Atom  95H    basis set group =>   2
Atom  96H    basis set group =>   2
Atom  97O    basis set group =>   3
Atom  98H    basis set group =>   2
Atom  99H    basis set group =>   2
Atom 100O    basis set group =>   3
Atom 101H    basis set group =>   2
Atom 102H    basis set group =>   2
Atom 103Q    basis set group =>   4
Atom 104Q    basis set group =>   4
Atom 105Q    basis set group =>   4
Atom 106Q    basis set group =>   4
Atom 107Q    basis set group =>   4
Atom 108Q    basis set group =>   4
Atom 109Q    basis set group =>   4
Atom 110Q    basis set group =>   4
Atom 111Q    basis set group =>   4
Atom 112Q    basis set group =>   4
Atom 113Q    basis set group =>   4
Atom 114Q    basis set group =>   4
Atom 115Q    basis set group =>   4
Atom 116Q    basis set group =>   4
Atom 117Q    basis set group =>   4
Atom 118Q    basis set group =>   4
Atom 119Q    basis set group =>   4
Atom 120Q    basis set group =>   4
Atom 121Q    basis set group =>   4
Atom 122Q    basis set group =>   4
Atom 123Q    basis set group =>   4
Atom 124Q    basis set group =>   4
Atom 125Q    basis set group =>   4
Atom 126Q    basis set group =>   4
Atom 127Q    basis set group =>   4
Atom 128Q    basis set group =>   4
Atom 129Q    basis set group =>   4
Atom 130Q    basis set group =>   4
Atom 131Q    basis set group =>   4
Atom 132Q    basis set group =>   4
Atom 133Q    basis set group =>   4
Atom 134Q    basis set group =>   4
Atom 135Q    basis set group =>   4
Atom 136Q    basis set group =>   4
Atom 137Q    basis set group =>   4
Atom 138Q    basis set group =>   4
Atom 139Q    basis set group =>   4
Atom 140Q    basis set group =>   4
Atom 141Q    basis set group =>   4
Atom 142Q    basis set group =>   4
Atom 143Q    basis set group =>   4
Atom 144Q    basis set group =>   4
Atom 145Q    basis set group =>   4
Atom 146Q    basis set group =>   4
Atom 147Q    basis set group =>   4
Atom 148Q    basis set group =>   4
Atom 149Q    basis set group =>   4
Atom 150Q    basis set group =>   4
Atom 151Q    basis set group =>   4
Atom 152Q    basis set group =>   4
Atom 153Q    basis set group =>   4
Atom 154Q    basis set group =>   4
Atom 155Q    basis set group =>   4
Atom 156Q    basis set group =>   4
Atom 157Q    basis set group =>   4
Atom 158Q    basis set group =>   4
Atom 159Q    basis set group =>   4
Atom 160Q    basis set group =>   4
Atom 161Q    basis set group =>   4
Atom 162Q    basis set group =>   4
Atom 163Q    basis set group =>   4
Atom 164Q    basis set group =>   4
Atom 165Q    basis set group =>   4
Atom 166Q    basis set group =>   4
Atom 167Q    basis set group =>   4
Atom 168Q    basis set group =>   4
Atom 169Q    basis set group =>   4
Atom 170Q    basis set group =>   4
Atom 171Q    basis set group =>   4
Atom 172Q    basis set group =>   4
Atom 173Q    basis set group =>   4
Atom 174Q    basis set group =>   4
Atom 175Q    basis set group =>   4
Atom 176Q    basis set group =>   4
Atom 177Q    basis set group =>   4
Atom 178Q    basis set group =>   4
Atom 179Q    basis set group =>   4
Atom 180Q    basis set group =>   4
Atom 181Q    basis set group =>   4
Atom 182Q    basis set group =>   4
Atom 183Q    basis set group =>   4
Atom 184Q    basis set group =>   4
Atom 185Q    basis set group =>   4
Atom 186Q    basis set group =>   4
Atom 187Q    basis set group =>   4
Atom 188Q    basis set group =>   4
Atom 189Q    basis set group =>   4
Atom 190Q    basis set group =>   4
Atom 191Q    basis set group =>   4
Atom 192Q    basis set group =>   4
Atom 193Q    basis set group =>   4
Atom 194Q    basis set group =>   4
Atom 195Q    basis set group =>   4
Atom 196Q    basis set group =>   4
Atom 197Q    basis set group =>   4
Atom 198Q    basis set group =>   4
Atom 199Q    basis set group =>   4
Atom 200Q    basis set group =>   4
Atom 201Q    basis set group =>   4
Atom 202Q    basis set group =>   4
Atom 203Q    basis set group =>   4
Atom 204Q    basis set group =>   4
Atom 205Q    basis set group =>   4
Atom 206Q    basis set group =>   4
Atom 207Q    basis set group =>   4
Atom 208Q    basis set group =>   4
Atom 209Q    basis set group =>   4
Atom 210Q    basis set group =>   4
Atom 211Q    basis set group =>   4
Atom 212Q    basis set group =>   4
Atom 213Q    basis set group =>   4
Atom 214Q    basis set group =>   4
Atom 215Q    basis set group =>   4
Atom 216Q    basis set group =>   4
Atom 217Q    basis set group =>   4
Atom 218Q    basis set group =>   4
Atom 219Q    basis set group =>   4
Atom 220Q    basis set group =>   4
Atom 221Q    basis set group =>   4
Atom 222Q    basis set group =>   4
Atom 223Q    basis set group =>   4
Atom 224Q    basis set group =>   4
Atom 225Q    basis set group =>   4
Atom 226Q    basis set group =>   4
Atom 227Q    basis set group =>   4
Atom 228Q    basis set group =>   4
Atom 229Q    basis set group =>   4
Atom 230Q    basis set group =>   4
Atom 231Q    basis set group =>   4
Atom 232Q    basis set group =>   4
Atom 233Q    basis set group =>   4
Atom 234Q    basis set group =>   4
Atom 235Q    basis set group =>   4
Atom 236Q    basis set group =>   4
Atom 237Q    basis set group =>   4
Atom 238Q    basis set group =>   4
Atom 239Q    basis set group =>   4
Atom 240Q    basis set group =>   4
Atom 241Q    basis set group =>   4
Atom 242Q    basis set group =>   4
Atom 243Q    basis set group =>   4
Atom 244Q    basis set group =>   4
Atom 245Q    basis set group =>   4
Atom 246Q    basis set group =>   4
Atom 247Q    basis set group =>   4
Atom 248Q    basis set group =>   4
Atom 249Q    basis set group =>   4
Atom 250Q    basis set group =>   4
Atom 251Q    basis set group =>   4
Atom 252Q    basis set group =>   4
Atom 253Q    basis set group =>   4
Atom 254Q    basis set group =>   4
Atom 255Q    basis set group =>   4
Atom 256Q    basis set group =>   4
Atom 257Q    basis set group =>   4
Atom 258Q    basis set group =>   4
Atom 259Q    basis set group =>   4
Atom 260Q    basis set group =>   4
Atom 261Q    basis set group =>   4
Atom 262Q    basis set group =>   4
Atom 263Q    basis set group =>   4
Atom 264Q    basis set group =>   4
Atom 265Q    basis set group =>   4
Atom 266Q    basis set group =>   4
Atom 267Q    basis set group =>   4
Atom 268Q    basis set group =>   4
Atom 269Q    basis set group =>   4
Atom 270Q    basis set group =>   4
Atom 271Q    basis set group =>   4
Atom 272Q    basis set group =>   4
Atom 273Q    basis set group =>   4
Atom 274Q    basis set group =>   4
Atom 275Q    basis set group =>   4
Atom 276Q    basis set group =>   4
Atom 277Q    basis set group =>   4
Atom 278Q    basis set group =>   4
Atom 279Q    basis set group =>   4
Atom 280Q    basis set group =>   4
Atom 281Q    basis set group =>   4
Atom 282Q    basis set group =>   4
Atom 283Q    basis set group =>   4
Atom 284Q    basis set group =>   4
Atom 285Q    basis set group =>   4
Atom 286Q    basis set group =>   4
Atom 287Q    basis set group =>   4
Atom 288Q    basis set group =>   4
Atom 289Q    basis set group =>   4
Atom 290Q    basis set group =>   4
Atom 291Q    basis set group =>   4
Atom 292Q    basis set group =>   4
Atom 293Q    basis set group =>   4
Atom 294Q    basis set group =>   4
Atom 295Q    basis set group =>   4
Atom 296Q    basis set group =>   4
Atom 297Q    basis set group =>   4
Atom 298Q    basis set group =>   4
Atom 299Q    basis set group =>   4
Atom 300Q    basis set group =>   4
Atom 301Q    basis set group =>   4
Atom 302Q    basis set group =>   4
Atom 303Q    basis set group =>   4
Atom 304Q    basis set group =>   4
Atom 305Q    basis set group =>   4
Atom 306Q    basis set group =>   4
Atom 307Q    basis set group =>   4
Atom 308Q    basis set group =>   4
Atom 309Q    basis set group =>   4
Atom 310Q    basis set group =>   4
Atom 311Q    basis set group =>   4
Atom 312Q    basis set group =>   4
Atom 313Q    basis set group =>   4
Atom 314Q    basis set group =>   4
Atom 315Q    basis set group =>   4
Atom 316Q    basis set group =>   4
Atom 317Q    basis set group =>   4
Atom 318Q    basis set group =>   4
Atom 319Q    basis set group =>   4
Atom 320Q    basis set group =>   4
Atom 321Q    basis set group =>   4
Atom 322Q    basis set group =>   4
Atom 323Q    basis set group =>   4
Atom 324Q    basis set group =>   4
Atom 325Q    basis set group =>   4
Atom 326Q    basis set group =>   4
Atom 327Q    basis set group =>   4
Atom 328Q    basis set group =>   4
Atom 329Q    basis set group =>   4
Atom 330Q    basis set group =>   4
Atom 331Q    basis set group =>   4
Atom 332Q    basis set group =>   4
Atom 333Q    basis set group =>   4
Atom 334Q    basis set group =>   4
Atom 335Q    basis set group =>   4
Atom 336Q    basis set group =>   4
Atom 337Q    basis set group =>   4
Atom 338Q    basis set group =>   4
Atom 339Q    basis set group =>   4
Atom 340Q    basis set group =>   4
Atom 341Q    basis set group =>   4
Atom 342Q    basis set group =>   4
Atom 343Q    basis set group =>   4
Atom 344Q    basis set group =>   4
Atom 345Q    basis set group =>   4
Atom 346Q    basis set group =>   4
Atom 347Q    basis set group =>   4
Atom 348Q    basis set group =>   4
Atom 349Q    basis set group =>   4
Atom 350Q    basis set group =>   4
Atom 351Q    basis set group =>   4
Atom 352Q    basis set group =>   4
Atom 353Q    basis set group =>   4
Atom 354Q    basis set group =>   4
Atom 355Q    basis set group =>   4
Atom 356Q    basis set group =>   4
Atom 357Q    basis set group =>   4
Atom 358Q    basis set group =>   4
Atom 359Q    basis set group =>   4
Atom 360Q    basis set group =>   4
Atom 361Q    basis set group =>   4
Atom 362Q    basis set group =>   4
Atom 363Q    basis set group =>   4
Atom 364Q    basis set group =>   4
Atom 365Q    basis set group =>   4
Atom 366Q    basis set group =>   4
Atom 367Q    basis set group =>   4
Atom 368Q    basis set group =>   4
Atom 369Q    basis set group =>   4
Atom 370Q    basis set group =>   4
Atom 371Q    basis set group =>   4
Atom 372Q    basis set group =>   4
Atom 373Q    basis set group =>   4
Atom 374Q    basis set group =>   4
Atom 375Q    basis set group =>   4
Atom 376Q    basis set group =>   4
Atom 377Q    basis set group =>   4
Atom 378Q    basis set group =>   4
Atom 379Q    basis set group =>   4
Atom 380Q    basis set group =>   4
Atom 381Q    basis set group =>   4
Atom 382Q    basis set group =>   4
Atom 383Q    basis set group =>   4
Atom 384Q    basis set group =>   4
Atom 385Q    basis set group =>   4
Atom 386Q    basis set group =>   4
Atom 387Q    basis set group =>   4
Atom 388Q    basis set group =>   4
Atom 389Q    basis set group =>   4
Atom 390Q    basis set group =>   4
Atom 391Q    basis set group =>   4
Atom 392Q    basis set group =>   4
Atom 393Q    basis set group =>   4
Atom 394Q    basis set group =>   4
Atom 395Q    basis set group =>   4
Atom 396Q    basis set group =>   4
Atom 397Q    basis set group =>   4
Atom 398Q    basis set group =>   4
Atom 399Q    basis set group =>   4
Atom 400Q    basis set group =>   4
Atom 401Q    basis set group =>   4
Atom 402Q    basis set group =>   4
Atom 403Q    basis set group =>   4
Atom 404Q    basis set group =>   4
Atom 405Q    basis set group =>   4
Atom 406Q    basis set group =>   4
Atom 407Q    basis set group =>   4
Atom 408Q    basis set group =>   4
Atom 409Q    basis set group =>   4
Atom 410Q    basis set group =>   4
Atom 411Q    basis set group =>   4
Atom 412Q    basis set group =>   4
Atom 413Q    basis set group =>   4
Atom 414Q    basis set group =>   4
Atom 415Q    basis set group =>   4
Atom 416Q    basis set group =>   4
Atom 417Q    basis set group =>   4
Atom 418Q    basis set group =>   4
Atom 419Q    basis set group =>   4
Atom 420Q    basis set group =>   4
Atom 421Q    basis set group =>   4
Atom 422Q    basis set group =>   4
Atom 423Q    basis set group =>   4
Atom 424Q    basis set group =>   4
Atom 425Q    basis set group =>   4
Atom 426Q    basis set group =>   4
Atom 427Q    basis set group =>   4
Atom 428Q    basis set group =>   4
Atom 429Q    basis set group =>   4
Atom 430Q    basis set group =>   4
Atom 431Q    basis set group =>   4
Atom 432Q    basis set group =>   4
Atom 433Q    basis set group =>   4
Atom 434Q    basis set group =>   4
Atom 435Q    basis set group =>   4
Atom 436Q    basis set group =>   4
Atom 437Q    basis set group =>   4
Atom 438Q    basis set group =>   4
Atom 439Q    basis set group =>   4
Atom 440Q    basis set group =>   4
Atom 441Q    basis set group =>   4
Atom 442Q    basis set group =>   4
Atom 443Q    basis set group =>   4
Atom 444Q    basis set group =>   4
Atom 445Q    basis set group =>   4
Atom 446Q    basis set group =>   4
Atom 447Q    basis set group =>   4
Atom 448Q    basis set group =>   4
Atom 449Q    basis set group =>   4
Atom 450Q    basis set group =>   4
Atom 451Q    basis set group =>   4
Atom 452Q    basis set group =>   4
Atom 453Q    basis set group =>   4
Atom 454Q    basis set group =>   4
Atom 455Q    basis set group =>   4
Atom 456Q    basis set group =>   4
Atom 457Q    basis set group =>   4
Atom 458Q    basis set group =>   4
Atom 459Q    basis set group =>   4
Atom 460Q    basis set group =>   4
Atom 461Q    basis set group =>   4
Atom 462Q    basis set group =>   4
Atom 463Q    basis set group =>   4
Atom 464Q    basis set group =>   4
Atom 465Q    basis set group =>   4
Atom 466Q    basis set group =>   4
Atom 467Q    basis set group =>   4
Atom 468Q    basis set group =>   4
Atom 469Q    basis set group =>   4
Atom 470Q    basis set group =>   4
Atom 471Q    basis set group =>   4
Atom 472Q    basis set group =>   4
Atom 473Q    basis set group =>   4
Atom 474Q    basis set group =>   4
Atom 475Q    basis set group =>   4
Atom 476Q    basis set group =>   4
Atom 477Q    basis set group =>   4
Atom 478Q    basis set group =>   4
Atom 479Q    basis set group =>   4
Atom 480Q    basis set group =>   4
Atom 481Q    basis set group =>   4
Atom 482Q    basis set group =>   4
Atom 483Q    basis set group =>   4
Atom 484Q    basis set group =>   4
Atom 485Q    basis set group =>   4
Atom 486Q    basis set group =>   4
Atom 487Q    basis set group =>   4
Atom 488Q    basis set group =>   4
Atom 489Q    basis set group =>   4
Atom 490Q    basis set group =>   4
Atom 491Q    basis set group =>   4
Atom 492Q    basis set group =>   4
Atom 493Q    basis set group =>   4
Atom 494Q    basis set group =>   4
Atom 495Q    basis set group =>   4
Atom 496Q    basis set group =>   4
Atom 497Q    basis set group =>   4
Atom 498Q    basis set group =>   4
Atom 499Q    basis set group =>   4
Atom 500Q    basis set group =>   4
Atom 501Q    basis set group =>   4
Atom 502Q    basis set group =>   4
Atom 503Q    basis set group =>   4
Atom 504Q    basis set group =>   4
Atom 505Q    basis set group =>   4
Atom 506Q    basis set group =>   4
Atom 507Q    basis set group =>   4
Atom 508Q    basis set group =>   4
Atom 509Q    basis set group =>   4
Atom 510Q    basis set group =>   4
Atom 511Q    basis set group =>   4
Atom 512Q    basis set group =>   4
Atom 513Q    basis set group =>   4
Atom 514Q    basis set group =>   4
Atom 515Q    basis set group =>   4
Atom 516Q    basis set group =>   4
Atom 517Q    basis set group =>   4
Atom 518Q    basis set group =>   4
Atom 519Q    basis set group =>   4
Atom 520Q    basis set group =>   4
Atom 521Q    basis set group =>   4
Atom 522Q    basis set group =>   4
Atom 523Q    basis set group =>   4
Atom 524Q    basis set group =>   4
Atom 525Q    basis set group =>   4
Atom 526Q    basis set group =>   4
Atom 527Q    basis set group =>   4
Atom 528Q    basis set group =>   4
Atom 529Q    basis set group =>   4
Atom 530Q    basis set group =>   4
Atom 531Q    basis set group =>   4
Atom 532Q    basis set group =>   4
Atom 533Q    basis set group =>   4
Atom 534Q    basis set group =>   4
Atom 535Q    basis set group =>   4
Atom 536Q    basis set group =>   4
Atom 537Q    basis set group =>   4
Atom 538Q    basis set group =>   4
Atom 539Q    basis set group =>   4
Atom 540Q    basis set group =>   4
Atom 541Q    basis set group =>   4
Atom 542Q    basis set group =>   4
Atom 543Q    basis set group =>   4
Atom 544Q    basis set group =>   4
Atom 545Q    basis set group =>   4
Atom 546Q    basis set group =>   4
Atom 547Q    basis set group =>   4
Atom 548Q    basis set group =>   4
Atom 549Q    basis set group =>   4
Atom 550Q    basis set group =>   4
Atom 551Q    basis set group =>   4
Atom 552Q    basis set group =>   4
Atom 553Q    basis set group =>   4
Atom 554Q    basis set group =>   4
Atom 555Q    basis set group =>   4
Atom 556Q    basis set group =>   4
Atom 557Q    basis set group =>   4
Atom 558Q    basis set group =>   4
Atom 559Q    basis set group =>   4
Atom 560Q    basis set group =>   4
Atom 561Q    basis set group =>   4
Atom 562Q    basis set group =>   4
Atom 563Q    basis set group =>   4
Atom 564Q    basis set group =>   4
Atom 565Q    basis set group =>   4
Atom 566Q    basis set group =>   4
Atom 567Q    basis set group =>   4
Atom 568Q    basis set group =>   4
Atom 569Q    basis set group =>   4
Atom 570Q    basis set group =>   4
Atom 571Q    basis set group =>   4
Atom 572Q    basis set group =>   4
Atom 573Q    basis set group =>   4
Atom 574Q    basis set group =>   4
Atom 575Q    basis set group =>   4
Atom 576Q    basis set group =>   4
Atom 577Q    basis set group =>   4
Atom 578Q    basis set group =>   4
Atom 579Q    basis set group =>   4
Atom 580Q    basis set group =>   4
Atom 581Q    basis set group =>   4
Atom 582Q    basis set group =>   4
Atom 583Q    basis set group =>   4
Atom 584Q    basis set group =>   4
Atom 585Q    basis set group =>   4
Atom 586Q    basis set group =>   4
Atom 587Q    basis set group =>   4
Atom 588Q    basis set group =>   4
Atom 589Q    basis set group =>   4
Atom 590Q    basis set group =>   4
Atom 591Q    basis set group =>   4
Atom 592Q    basis set group =>   4
Atom 593Q    basis set group =>   4
Atom 594Q    basis set group =>   4
Atom 595Q    basis set group =>   4
Atom 596Q    basis set group =>   4
Atom 597Q    basis set group =>   4
Atom 598Q    basis set group =>   4
Atom 599Q    basis set group =>   4
Atom 600Q    basis set group =>   4
Atom 601Q    basis set group =>   4
Atom 602Q    basis set group =>   4
Atom 603Q    basis set group =>   4
Atom 604Q    basis set group =>   4
Atom 605Q    basis set group =>   4
Atom 606Q    basis set group =>   4
Atom 607Q    basis set group =>   4
Atom 608Q    basis set group =>   4
Atom 609Q    basis set group =>   4
Atom 610Q    basis set group =>   4
Atom 611Q    basis set group =>   4
Atom 612Q    basis set group =>   4
Atom 613Q    basis set group =>   4
Atom 614Q    basis set group =>   4
Atom 615Q    basis set group =>   4
Atom 616Q    basis set group =>   4
Atom 617Q    basis set group =>   4
Atom 618Q    basis set group =>   4
Atom 619Q    basis set group =>   4
Atom 620Q    basis set group =>   4
Atom 621Q    basis set group =>   4
Atom 622Q    basis set group =>   4
Atom 623Q    basis set group =>   4
Atom 624Q    basis set group =>   4
Atom 625Q    basis set group =>   4
Atom 626Q    basis set group =>   4
Atom 627Q    basis set group =>   4
Atom 628Q    basis set group =>   4
Atom 629Q    basis set group =>   4
Atom 630Q    basis set group =>   4

-------------------------------------
AUXILIARY/J BASIS SET IN INPUT FORMAT
-------------------------------------

 # Auxiliary/J basis set for element : H 
 NewAuxJGTO H 
 S 3 
   1      15.6752927000      0.1007184237
   2       3.6063578000      0.3404257499
   3       1.2080016000      0.6491996172
 S 1 
   1       0.4726794000      1.0000000000
 S 1 
   1       0.2018100000      1.0000000000
 P 2 
   1       2.0281365000      0.5596620919
   2       0.5358730000      0.5596620919
 D 1 
   1       2.2165124000      1.0000000000
  end;

 # Auxiliary/J basis set for element : C 
 NewAuxJGTO C 
 S 7 
   1    1861.0916331000      0.0134602335
   2     642.9939764000      0.0299160374
   3     235.1105725000      0.1008649584
   4      90.7028894000      0.2370970548
   5      36.7794552000      0.3924037254
   6      15.6046273000      0.3195862154
   7       6.8907294000      0.0530104441
 S 1 
   1       3.1478850000     -1.0000000000
 S 1 
   1       1.4777287000      1.0000000000
 S 1 
   1       0.7076466000      1.0000000000
 S 1 
   1       0.3430122000      1.0000000000
 S 1 
   1       0.1669453000      1.0000000000
 P 2 
   1      13.5472892000     -0.6769313712
   2       5.4669419000     -0.3779500978
 P 1 
   1       2.1751721000      1.0000000000
 P 1 
   1       0.8582194000      1.0000000000
 P 1 
   1       0.3376720000      1.0000000000
 D 2 
   1       5.9287253000     -0.3533329857
   2       1.9809209000     -0.7456525731
 D 1 
   1       0.8055417000     -1.0000000000
 D 1 
   1       0.3531244000     -1.0000000000
 F 2 
   1       1.6755626000      0.6311076882
   2       0.5997536000      0.4968166032
 G 1 
   1       1.0024600000     -1.0000000000
  end;

 # Auxiliary/J basis set for element : O 
 NewAuxJGTO O 
 S 7 
   1    2876.8216605000      0.0168151159
   2    1004.7443032000      0.0340137548
   3     369.7579954000      0.1194951309
   4     142.9442404000      0.2664627624
   5      57.8366425000      0.4202764046
   6      24.3864983000      0.2765077335
   7      10.6622662000      0.0057008815
 S 1 
   1       4.8070437000     -1.0000000000
 S 1 
   1       2.2210770000      1.0000000000
 S 1 
   1       1.0447795000      1.0000000000
 S 1 
   1       0.4968425000      1.0000000000
 S 1 
   1       0.2371384000      1.0000000000
 P 2 
   1      64.2613382000     -0.2731534179
   2      16.3006076000     -0.8168011598
 P 1 
   1       4.3550542000      1.0000000000
 P 1 
   1       1.2019554000      1.0000000000
 P 1 
   1       0.3354196000      1.0000000000
 D 2 
   1       9.2146611000     -0.4661230638
   2       2.8435251000     -0.6600908911
 D 1 
   1       0.9955759000     -1.0000000000
 D 1 
   1       0.3649441000     -1.0000000000
 F 2 
   1       2.6420115000      0.5931563945
   2       0.7345613000      0.5931563945
 G 1 
   1       1.3931000000     -1.0000000000
  end;

 # Auxiliary/J basis set for element : Q 
 NewAuxJGTO Q 
  end;



           ************************************************************
           *        Program running with 32 parallel MPI-processes    *
           *              working on a common directory               *
           ************************************************************
------------------------------------------------------------------------------
                           ORCA GTO INTEGRAL CALCULATION
                           -- RI-GTO INTEGRALS CHOSEN --
------------------------------------------------------------------------------
------------------------------------------------------------------------------
                   ___                                                        
                  /   \      - P O W E R E D   B Y -                         
                 /     \                                                     
                 |  |  |   _    _      __       _____    __    __             
                 |  |  |  | |  | |    /  \     |  _  \  |  |  /  |          
                  \  \/   | |  | |   /    \    | | | |  |  | /  /          
                 / \  \   | |__| |  /  /\  \   | |_| |  |  |/  /          
                |  |  |   |  __  | /  /__\  \  |    /   |      \           
                |  |  |   | |  | | |   __   |  |    \   |  |\   \          
                \     /   | |  | | |  |  |  |  | |\  \  |  | \   \       
                 \___/    |_|  |_| |__|  |__|  |_| \__\ |__|  \__/        
                                                                              
                      - O R C A' S   B I G   F R I E N D -                    
                                      &                                       
                       - I N T E G R A L  F E E D E R -                       
                                                                              
 v1 FN, 2020, v2 2021                                                         
------------------------------------------------------------------------------


Reading SHARK input file final004.orca.SHARKINP.tmp ... ok
----------------------
SHARK INTEGRAL PACKAGE
----------------------

Number of atoms                             ...    631
Number of basis functions                   ...   2772
Number of shells                            ...   1108
Maximum angular momentum                    ...      3
Integral batch strategy                     ... SHARK/LIBINT Hybrid
RI-J (if used) integral strategy            ... SPLIT-RIJ (Revised 2003 algorithm where possible)
Printlevel                                  ...      1
Contraction scheme used                     ... PARTIAL GENERAL contraction
Coulomb Range Separation                    ... NOT USED
Exchange Range Separation                   ... NOT USED
Finite Nucleus Model                        ... NOT USED
Auxiliary Coulomb fitting basis             ... AVAILABLE
   # of basis functions in Aux-J            ...   2463
   # of shells in Aux-J                     ...    865
   Maximum angular momentum in Aux-J        ...      4
Auxiliary J/K fitting basis                 ... NOT available
Auxiliary Correlation fitting basis         ... NOT available
Auxiliary 'external' fitting basis          ... NOT available
Integral threshold                          ...     2.500000e-11
Primitive cut-off                           ...     2.500000e-12
Primitive pair pre-selection threshold      ...     2.500000e-12

Calculating pre-screening integrals         ... done (  0.4 sec) Dimension = 1108
Calculating pre-screening integrals (ORCA)  ... done (  0.6 sec) Dimension = 898
Organizing shell pair data                  ... done (  2.6 sec)
Shell pair information
Total number of shell pairs                 ...    614386
Shell pairs after pre-screening             ...    247938
Total number of primitive shell pairs       ...    864264
Primitive shell pairs kept                  ...    294476
          la=0 lb=0:  65381 shell pairs
          la=1 lb=0:  71114 shell pairs
          la=1 lb=1:  19319 shell pairs
          la=2 lb=0:  37035 shell pairs
          la=2 lb=1:  21068 shell pairs
          la=2 lb=2:   5607 shell pairs
          la=3 lb=0:  14582 shell pairs
          la=3 lb=1:   8500 shell pairs
          la=3 lb=2:   4400 shell pairs
          la=3 lb=3:    932 shell pairs

Calculating one electron integrals          ... done (  1.3 sec)
Calculating RI/J V-Matrix + Cholesky decomp.... done (  0.7 sec)
Calculating Nuclear repulsion               ... done (  0.0 sec) ENN=   5255.716256109119 Eh

SHARK setup successfully completed in   8.4 seconds

Maximum memory used throughout the entire GTOINT-calculation: 347.9 MB


           ************************************************************
           *        Program running with 32 parallel MPI-processes    *
           *              working on a common directory               *
           ************************************************************
-------------------------------------------------------------------------------
                                 ORCA SCF
-------------------------------------------------------------------------------

------------
SCF SETTINGS
------------
Hamiltonian:
 Density Functional     Method          .... DFT(GTOs)
 Exchange Functional    Exchange        .... B88
   X-Alpha parameter    XAlpha          ....  0.666667
   Becke's b parameter  XBeta           ....  0.004200
 Correlation Functional Correlation     .... LYP
 LDA part of GGA corr.  LDAOpt          .... VWN-5
 Gradients option       PostSCFGGA      .... off
 Hybrid DFT is turned on
   Fraction HF Exchange ScalHFX         ....  0.200000
   Scaling of DF-GGA-X  ScalDFX         ....  0.720000
   Scaling of DF-GGA-C  ScalDFC         ....  0.810000
   Scaling of DF-LDA-C  ScalLDAC        ....  1.000000
   Perturbative correction              ....  0.000000
   Density functional embedding theory  .... OFF
   NL short-range parameter             ....  4.800000
 RI-approximation to the Coulomb term is turned on
   Number of AuxJ basis functions       .... 2463
   RIJ-COSX (HFX calculated with COS-X)).... on


General Settings:
 Integral files         IntName         .... final004.orca
 Hartree-Fock type      HFTyp           .... RHF
 Total Charge           Charge          ....    0
 Multiplicity           Mult            ....    1
 Number of Electrons    NEL             ....  340
 Basis Dimension        Dim             .... 2562
 Nuclear Repulsion      ENuc            ....   5255.7162561091 Eh

Convergence Acceleration:
 DIIS                   CNVDIIS         .... on
   Start iteration      DIISMaxIt       ....    12
   Startup error        DIISStart       ....  0.200000
   # of expansion vecs  DIISMaxEq       ....     5
   Bias factor          DIISBfac        ....   1.050
   Max. coefficient     DIISMaxC        ....  10.000
 Trust-Rad. Augm. Hess. CNVTRAH         .... auto
   Auto Start mean grad. ratio tolernc. ....  1.125000
   Auto Start start iteration           ....    20
   Auto Start num. interpolation iter.  ....    10
   Max. Number of Micro iterations      ....    16
   Max. Number of Macro iterations      .... Maxiter - #DIIS iter
   Number of Davidson start vectors     ....     2
   Converg. threshold I  (grad. norm)   ....   1.000e-05
   Converg. threshold II (energy diff.) ....   1.000e-08
   Grad. Scal. Fac. for Micro threshold ....   0.100
   Minimum threshold for Micro iter.    ....   0.010
   NR start threshold (gradient norm)   ....   0.001
   Initial trust radius                 ....   0.400
   Minimum AH scaling param. (alpha)    ....   1.000
   Maximum AH scaling param. (alpha)    .... 1000.000
   Orbital update algorithm             .... Taylor
   White noise on init. David. guess    .... on
   Maximum white noise                  ....   0.010
   Quad. conv. algorithm                .... NR
 SOSCF                  CNVSOSCF        .... on
   Start iteration      SOSCFMaxIt      ....   150
   Startup grad/error   SOSCFStart      ....  0.003300
 Level Shifting         CNVShift        .... on
   Level shift para.    LevelShift      ....    0.2500
   Turn off err/grad.   ShiftErr        ....    0.0010
 Zerner damping         CNVZerner       .... off
 Static damping         CNVDamp         .... on
   Fraction old density DampFac         ....    0.7000
   Max. Damping (<1)    DampMax         ....    0.9800
   Min. Damping (>=0)   DampMin         ....    0.0000
   Turn off err/grad.   DampErr         ....    0.1000
 Fernandez-Rico         CNVRico         .... off

SCF Procedure:
 Maximum # iterations   MaxIter         ....   500
 SCF integral mode      SCFMode         .... Direct
   Integral package                     .... SHARK and LIBINT hybrid scheme
 Reset frequency        DirectResetFreq ....    20
 Integral Threshold     Thresh          ....  2.500e-11 Eh
 Primitive CutOff       TCut            ....  2.500e-12 Eh

Convergence Tolerance:
 Convergence Check Mode ConvCheckMode   .... Total+1el-Energy
 Convergence forced     ConvForced      .... 0
 Energy Change          TolE            ....  1.000e-08 Eh
 1-El. energy change                    ....  1.000e-05 Eh
 Orbital Gradient       TolG            ....  1.000e-05
 Orbital Rotation angle TolX            ....  1.000e-05
 DIIS Error             TolErr          ....  5.000e-07


Diagonalization of the overlap matrix:
Smallest eigenvalue                        ... 3.409e-06
Time for diagonalization                   ...    1.051 sec
Threshold for overlap eigenvalues          ... 1.000e-08
Number of eigenvalues below threshold      ... 0
Time for construction of square roots      ...    1.228 sec
Total time needed                          ...    2.318 sec

Time for model grid setup =    2.094 sec

------------------------------
INITIAL GUESS: MODEL POTENTIAL
------------------------------
Loading Hartree-Fock densities                     ... done
Calculating cut-offs                               ... done
Initializing the effective Hamiltonian             ... done
Setting up the integral package (SHARK)            ... done
Starting the Coulomb interaction                   ... done (   2.4 sec)
Reading the grid                                   ... done
Mapping shells                                     ... done
Starting the XC term evaluation                    ... done (   0.8 sec)
  promolecular density results
     # of electrons  =    339.971384991
     EX              =   -294.709840984
     EC              =    -11.606864186
     EX+EC           =   -306.316705169
Transforming the Hamiltonian                       ... done (   0.6 sec)
Diagonalizing the Hamiltonian                      ... done (   1.2 sec)
Back transforming the eigenvectors                 ... done (   0.2 sec)
Now organizing SCF variables                       ... done
                      ------------------
                      INITIAL GUESS DONE (   7.6 sec)
                      ------------------
-------------------
DFT GRID GENERATION
-------------------

General Integration Accuracy     IntAcc      ... 4.388
Radial Grid Type                 RadialGrid  ... OptM3 with GC (2021)
Angular Grid (max. ang.)         AngularGrid ... 4 (Lebedev-302)
Angular grid pruning method      GridPruning ... 4 (adaptive)
Weight generation scheme         WeightScheme... Becke
Basis function cutoff            BFCut       ... 1.0000e-11
Integration weight cutoff        WCut        ... 1.0000e-14
Angular grids for H and He will be reduced by one unit
Partially contracted basis set               ... off
Rotationally invariant grid construction     ... off

Total number of grid points                  ...   438270
Total number of batches                      ...     7028
Average number of points per batch           ...       62
Average number of grid points per atom       ...      695
Time for grid setup =    7.114 sec

--------------------
COSX GRID GENERATION
--------------------

GRIDX 1
-------
General Integration Accuracy     IntAcc      ... 3.816
Radial Grid Type                 RadialGrid  ... OptM3 with GC (2021)
Angular Grid (max. ang.)         AngularGrid ... 1 (Lebedev-50)
Angular grid pruning method      GridPruning ... 4 (adaptive)
Weight generation scheme         WeightScheme... Becke
Basis function cutoff            BFCut       ... 1.0000e-11
Integration weight cutoff        WCut        ... 1.0000e-14
Angular grids for H and He will be reduced by one unit
Partially contracted basis set               ... on
Rotationally invariant grid construction     ... off

Total number of grid points                  ...    55765
Total number of batches                      ...     1095
Average number of points per batch           ...       50
Average number of grid points per atom       ...       88
UseSFitting                                  ... on

GRIDX 2
-------
General Integration Accuracy     IntAcc      ... 4.020
Radial Grid Type                 RadialGrid  ... OptM3 with GC (2021)
Angular Grid (max. ang.)         AngularGrid ... 2 (Lebedev-110)
Angular grid pruning method      GridPruning ... 4 (adaptive)
Weight generation scheme         WeightScheme... Becke
Basis function cutoff            BFCut       ... 1.0000e-11
Integration weight cutoff        WCut        ... 1.0000e-14
Angular grids for H and He will be reduced by one unit
Partially contracted basis set               ... on
Rotationally invariant grid construction     ... off

Total number of grid points                  ...   121437
Total number of batches                      ...     2076
Average number of points per batch           ...       58
Average number of grid points per atom       ...      192
UseSFitting                                  ... on

GRIDX 3
-------
General Integration Accuracy     IntAcc      ... 4.338
Radial Grid Type                 RadialGrid  ... OptM3 with GC (2021)
Angular Grid (max. ang.)         AngularGrid ... 3 (Lebedev-194)
Angular grid pruning method      GridPruning ... 4 (adaptive)
Weight generation scheme         WeightScheme... Becke
Basis function cutoff            BFCut       ... 1.0000e-11
Integration weight cutoff        WCut        ... 1.0000e-14
Angular grids for H and He will be reduced by one unit
Partially contracted basis set               ... on
Rotationally invariant grid construction     ... off

Total number of grid points                  ...   259522
Total number of batches                      ...     4225
Average number of points per batch           ...       61
Average number of grid points per atom       ...      411
UseSFitting                                  ... on

Time for X-Grid setup             =   13.149 sec

 re-compute Schwartz prescreening matrix in partically contracted basis (1) ...done (   0.206 sec)
--------------
SCF ITERATIONS
--------------
ITER       Energy         Delta-E        Max-DP      RMS-DP      [F,P]     Damp
               ***  Starting incremental Fock matrix formation  ***
  0  -2693.2023031329   0.000000000000 1.57880313  0.00154268  0.4036064 0.7000
  1  -2694.7564863167  -1.554183183755 1.14220052  0.00112395  0.1554401 0.7000
                               ***Turning on DIIS***
  2  -2695.2476909128  -0.491204596080 0.51534244  0.00073321  0.0362426 0.0000
  3  -2696.1413275511  -0.893636638333 1.03893147  0.00101138  0.0936150 0.0000
  4  -2696.3076053462  -0.166277795104 0.23231373  0.00023432  0.0174888 0.0000
  5  -2696.3131121798  -0.005506833654 0.05272230  0.00005876  0.0051497 0.0000
                      *** Initiating the SOSCF procedure ***
                           *** Shutting down DIIS ***
                      *** Re-Reading the Fockian *** 
                      *** Removing any level shift *** 
ITER      Energy       Delta-E        Grad      Rot      Max-DP    RMS-DP
  6  -2696.31348293  -0.0003707507  0.000196  0.000196  0.008736  0.000014
               *** Restarting incremental Fock matrix formation ***
  7  -2696.31357432  -0.0000913902  0.000083  0.000216  0.023345  0.000045
  8  -2696.31357587  -0.0000015498  0.000089  0.000095  0.009212  0.000011
  9  -2696.31358264  -0.0000067665  0.000018  0.000040  0.008201  0.000010
 10  -2696.31358265  -0.0000000112  0.000021  0.000016  0.002087  0.000002
 11  -2696.31358286  -0.0000002108  0.000004  0.000009  0.003196  0.000003
                  ***Gradient check signals convergence***
              ***Rediagonalizing the Fockian in SOSCF/NRSCF***

               *****************************************************
               *                     SUCCESS                       *
               *           SCF CONVERGED AFTER  12 CYCLES          *
               *****************************************************

Old exchange energy                            =    -59.884786664 Eh
New exchange energy                            =    -59.884603928 Eh
Exchange energy change after final integration =      0.000182736 Eh
Total energy after final integration           =  -2696.313400118 Eh
Final COS-X integration done in                =    84.364 sec

----------------
TOTAL SCF ENERGY
----------------

Total Energy       :        -2696.31340012 Eh          -73370.41770 eV

Components:
Nuclear Repulsion  :         5255.71625611 Eh          143015.31009 eV
Electronic Energy  :        -7952.02965623 Eh         -216385.72778 eV
One Electron Energy:       -14301.44164012 Eh         -389162.01164 eV
Two Electron Energy:         6349.41198389 Eh          172776.28386 eV
Max COSX asymmetry :            0.00002076 Eh               0.00057 eV

Virial components:
Potential Energy   :        -5207.41800227 Eh         -141701.04778 eV
Kinetic Energy     :         2511.10460216 Eh           68330.63009 eV
Virial Ratio       :            2.07375591


DFT components:
N(Alpha)           :      170.000088880237 electrons
N(Beta)            :      170.000088880237 electrons
N(Total)           :      340.000177760474 electrons
E(X)               :     -238.535609629249 Eh       
E(C)               :      -13.774182550690 Eh       
E(XC)              :     -252.309792179939 Eh       
DFET-embed. en.    :        0.000000000000 Eh       

---------------
SCF CONVERGENCE
---------------

  Last Energy change         ...    4.8758e-09  Tolerance :   1.0000e-08
  Last MAX-Density change    ...    5.9952e-15  Tolerance :   1.0000e-07
  Last RMS-Density change    ...    9.4865e-18  Tolerance :   5.0000e-09
  Last Orbital Gradient      ...    2.4590e-06  Tolerance :   1.0000e-05
  Last Orbital Rotation      ...    2.3920e-06  Tolerance :   1.0000e-05

             **** THE GBW FILE WAS UPDATED (final004.orca.gbw) ****
             **** DENSITY final004.orca.scfp WAS UPDATED ****
             **** ENERGY FILE WAS UPDATED (final004.orca.en.tmp) ****
             **** THE GBW FILE WAS UPDATED (final004.orca.gbw) ****
             **** DENSITY final004.orca.scfp WAS UPDATED ****
----------------
ORBITAL ENERGIES
----------------

  NO   OCC          E(Eh)            E(eV) 
   0   2.0000     -19.187751      -522.1252 
   1   2.0000     -19.185043      -522.0516 
   2   2.0000     -19.178314      -521.8685 
   3   2.0000     -19.167123      -521.5639 
   4   2.0000     -19.159291      -521.3508 
   5   2.0000     -19.156379      -521.2716 
   6   2.0000     -19.156300      -521.2694 
   7   2.0000     -19.153790      -521.2011 
   8   2.0000     -19.153596      -521.1958 
   9   2.0000     -19.151801      -521.1470 
  10   2.0000     -19.149827      -521.0933 
  11   2.0000     -19.147195      -521.0217 
  12   2.0000     -19.147172      -521.0210 
  13   2.0000     -19.146194      -520.9944 
  14   2.0000     -19.144908      -520.9594 
  15   2.0000     -19.140004      -520.8260 
  16   2.0000     -19.138923      -520.7966 
  17   2.0000     -19.137934      -520.7697 
  18   2.0000     -19.134862      -520.6861 
  19   2.0000     -19.134510      -520.6765 
  20   2.0000     -19.128937      -520.5248 
  21   2.0000     -19.127696      -520.4911 
  22   2.0000     -19.127463      -520.4847 
  23   2.0000     -19.126353      -520.4545 
  24   2.0000     -19.123796      -520.3849 
  25   2.0000     -19.122341      -520.3453 
  26   2.0000     -19.118358      -520.2370 
  27   2.0000     -19.117285      -520.2078 
  28   2.0000     -19.108942      -519.9808 
  29   2.0000     -19.098064      -519.6847 
  30   2.0000     -19.094996      -519.6013 
  31   2.0000     -10.222772      -278.1758 
  32   2.0000     -10.215502      -277.9780 
  33   2.0000     -10.162297      -276.5302 
  34   2.0000     -10.160034      -276.4686 
  35   2.0000      -1.073952       -29.2237 
  36   2.0000      -1.068962       -29.0879 
  37   2.0000      -1.059073       -28.8189 
  38   2.0000      -1.056154       -28.7394 
  39   2.0000      -1.055130       -28.7116 
  40   2.0000      -1.051770       -28.6201 
  41   2.0000      -1.048228       -28.5237 
  42   2.0000      -1.044935       -28.4341 
  43   2.0000      -1.042210       -28.3600 
  44   2.0000      -1.037942       -28.2438 
  45   2.0000      -1.031330       -28.0639 
  46   2.0000      -1.029943       -28.0262 
  47   2.0000      -1.025228       -27.8979 
  48   2.0000      -1.023712       -27.8566 
  49   2.0000      -1.021019       -27.7833 
  50   2.0000      -1.020658       -27.7735 
  51   2.0000      -1.020077       -27.7577 
  52   2.0000      -1.018248       -27.7079 
  53   2.0000      -1.017888       -27.6981 
  54   2.0000      -1.011454       -27.5230 
  55   2.0000      -1.005588       -27.3634 
  56   2.0000      -1.003779       -27.3142 
  57   2.0000      -1.001654       -27.2564 
  58   2.0000      -0.993675       -27.0393 
  59   2.0000      -0.992497       -27.0072 
  60   2.0000      -0.987308       -26.8660 
  61   2.0000      -0.987089       -26.8600 
  62   2.0000      -0.985217       -26.8091 
  63   2.0000      -0.984101       -26.7787 
  64   2.0000      -0.982718       -26.7411 
  65   2.0000      -0.974243       -26.5105 
  66   2.0000      -0.795851       -21.6562 
  67   2.0000      -0.705418       -19.1954 
  68   2.0000      -0.634707       -17.2713 
  69   2.0000      -0.599383       -16.3101 
  70   2.0000      -0.585898       -15.9431 
  71   2.0000      -0.578811       -15.7502 
  72   2.0000      -0.578348       -15.7376 
  73   2.0000      -0.576045       -15.6750 
  74   2.0000      -0.573959       -15.6182 
  75   2.0000      -0.570543       -15.5253 
  76   2.0000      -0.568673       -15.4744 
  77   2.0000      -0.567801       -15.4506 
  78   2.0000      -0.564626       -15.3643 
  79   2.0000      -0.563061       -15.3217 
  80   2.0000      -0.559661       -15.2292 
  81   2.0000      -0.555607       -15.1188 
  82   2.0000      -0.552677       -15.0391 
  83   2.0000      -0.545558       -14.8454 
  84   2.0000      -0.543820       -14.7981 
  85   2.0000      -0.542252       -14.7554 
  86   2.0000      -0.534816       -14.5531 
  87   2.0000      -0.533436       -14.5155 
  88   2.0000      -0.529574       -14.4104 
  89   2.0000      -0.525569       -14.3015 
  90   2.0000      -0.522630       -14.2215 
  91   2.0000      -0.519877       -14.1466 
  92   2.0000      -0.517902       -14.0928 
  93   2.0000      -0.514558       -14.0018 
  94   2.0000      -0.512913       -13.9571 
  95   2.0000      -0.507909       -13.8209 
  96   2.0000      -0.504825       -13.7370 
  97   2.0000      -0.502986       -13.6869 
  98   2.0000      -0.500407       -13.6168 
  99   2.0000      -0.495349       -13.4791 
 100   2.0000      -0.486623       -13.2417 
 101   2.0000      -0.468202       -12.7404 
 102   2.0000      -0.463338       -12.6081 
 103   2.0000      -0.462189       -12.5768 
 104   2.0000      -0.455077       -12.3833 
 105   2.0000      -0.454537       -12.3686 
 106   2.0000      -0.445040       -12.1101 
 107   2.0000      -0.444386       -12.0924 
 108   2.0000      -0.437816       -11.9136 
 109   2.0000      -0.435772       -11.8580 
 110   2.0000      -0.432393       -11.7660 
 111   2.0000      -0.429844       -11.6966 
 112   2.0000      -0.429121       -11.6770 
 113   2.0000      -0.424249       -11.5444 
 114   2.0000      -0.421940       -11.4816 
 115   2.0000      -0.416398       -11.3308 
 116   2.0000      -0.415421       -11.3042 
 117   2.0000      -0.411433       -11.1957 
 118   2.0000      -0.410514       -11.1707 
 119   2.0000      -0.407153       -11.0792 
 120   2.0000      -0.402825       -10.9614 
 121   2.0000      -0.401435       -10.9236 
 122   2.0000      -0.398486       -10.8434 
 123   2.0000      -0.398243       -10.8367 
 124   2.0000      -0.395422       -10.7600 
 125   2.0000      -0.394808       -10.7433 
 126   2.0000      -0.390919       -10.6374 
 127   2.0000      -0.386530       -10.5180 
 128   2.0000      -0.385862       -10.4998 
 129   2.0000      -0.384123       -10.4525 
 130   2.0000      -0.381991       -10.3945 
 131   2.0000      -0.381769       -10.3885 
 132   2.0000      -0.379623       -10.3301 
 133   2.0000      -0.376297       -10.2396 
 134   2.0000      -0.373741       -10.1700 
 135   2.0000      -0.372926       -10.1478 
 136   2.0000      -0.365242        -9.9387 
 137   2.0000      -0.364427        -9.9166 
 138   2.0000      -0.361049        -9.8246 
 139   2.0000      -0.360780        -9.8173 
 140   2.0000      -0.357941        -9.7401 
 141   2.0000      -0.354256        -9.6398 
 142   2.0000      -0.353380        -9.6160 
 143   2.0000      -0.350644        -9.5415 
 144   2.0000      -0.349541        -9.5115 
 145   2.0000      -0.346084        -9.4174 
 146   2.0000      -0.344003        -9.3608 
 147   2.0000      -0.340517        -9.2659 
 148   2.0000      -0.339318        -9.2333 
 149   2.0000      -0.337862        -9.1937 
 150   2.0000      -0.334739        -9.1087 
 151   2.0000      -0.333944        -9.0871 
 152   2.0000      -0.332768        -9.0551 
 153   2.0000      -0.331242        -9.0136 
 154   2.0000      -0.326891        -8.8951 
 155   2.0000      -0.325007        -8.8439 
 156   2.0000      -0.323725        -8.8090 
 157   2.0000      -0.318655        -8.6710 
 158   2.0000      -0.315871        -8.5953 
 159   2.0000      -0.315242        -8.5782 
 160   2.0000      -0.311940        -8.4883 
 161   2.0000      -0.309665        -8.4264 
 162   2.0000      -0.308600        -8.3974 
 163   2.0000      -0.304014        -8.2726 
 164   2.0000      -0.302889        -8.2420 
 165   2.0000      -0.301233        -8.1970 
 166   2.0000      -0.300254        -8.1703 
 167   2.0000      -0.290872        -7.9150 
 168   2.0000      -0.287877        -7.8335 
 169   2.0000      -0.276305        -7.5186 
 170   0.0000      -0.042002        -1.1429 
 171   0.0000      -0.029937        -0.8146 
 172   0.0000      -0.018515        -0.5038 
 173   0.0000      -0.010281        -0.2798 
 174   0.0000      -0.006649        -0.1809 
 175   0.0000      -0.001018        -0.0277 
 176   0.0000       0.004248         0.1156 
 177   0.0000       0.009956         0.2709 
 178   0.0000       0.018739         0.5099 
 179   0.0000       0.022061         0.6003 
 180   0.0000       0.025831         0.7029 
 181   0.0000       0.027351         0.7443 
 182   0.0000       0.035650         0.9701 
 183   0.0000       0.038521         1.0482 
 184   0.0000       0.039099         1.0640 
 185   0.0000       0.043993         1.1971 
 186   0.0000       0.047958         1.3050 
 187   0.0000       0.051611         1.4044 
 188   0.0000       0.055494         1.5101 
 189   0.0000       0.056176         1.5286 
 190   0.0000       0.058565         1.5936 
 191   0.0000       0.060209         1.6384 
 192   0.0000       0.064377         1.7518 
 193   0.0000       0.066101         1.7987 
 194   0.0000       0.067471         1.8360 
 195   0.0000       0.073558         2.0016 
 196   0.0000       0.076298         2.0762 
 197   0.0000       0.080407         2.1880 
 198   0.0000       0.081338         2.2133 
 199   0.0000       0.082001         2.2314 
 200   0.0000       0.084901         2.3103 
 201   0.0000       0.088727         2.4144 
 202   0.0000       0.090462         2.4616 
 203   0.0000       0.090966         2.4753 
 204   0.0000       0.093166         2.5352 
 205   0.0000       0.093819         2.5529 
 206   0.0000       0.096904         2.6369 
 207   0.0000       0.098103         2.6695 
 208   0.0000       0.101411         2.7595 
 209   0.0000       0.102756         2.7961 
 210   0.0000       0.108033         2.9397 
 211   0.0000       0.108501         2.9525 
 212   0.0000       0.109717         2.9856 
 213   0.0000       0.111394         3.0312 
 214   0.0000       0.113972         3.1013 
 215   0.0000       0.115383         3.1397 
 216   0.0000       0.116037         3.1575 
 217   0.0000       0.117961         3.2099 
 218   0.0000       0.121794         3.3142 
 219   0.0000       0.122953         3.3457 
 220   0.0000       0.124284         3.3819 
 221   0.0000       0.124999         3.4014 
 222   0.0000       0.125669         3.4196 
 223   0.0000       0.128993         3.5101 
 224   0.0000       0.130844         3.5604 
 225   0.0000       0.133363         3.6290 
 226   0.0000       0.134155         3.6505 
 227   0.0000       0.136427         3.7124 
 228   0.0000       0.136560         3.7160 
 229   0.0000       0.138216         3.7611 
 230   0.0000       0.140461         3.8221 
 231   0.0000       0.141862         3.8603 
 232   0.0000       0.142946         3.8898 
 233   0.0000       0.144671         3.9367 
 234   0.0000       0.146320         3.9816 
 235   0.0000       0.148392         4.0380 
 236   0.0000       0.149124         4.0579 
 237   0.0000       0.149800         4.0763 
 238   0.0000       0.151295         4.1169 
 239   0.0000       0.152438         4.1481 
 240   0.0000       0.153658         4.1813 
 241   0.0000       0.155304         4.2260 
 242   0.0000       0.156045         4.2462 
 243   0.0000       0.156862         4.2684 
 244   0.0000       0.157748         4.2925 
 245   0.0000       0.160172         4.3585 
 246   0.0000       0.163683         4.4540 
 247   0.0000       0.165070         4.4918 
 248   0.0000       0.166054         4.5186 
 249   0.0000       0.166864         4.5406 
 250   0.0000       0.167349         4.5538 
 251   0.0000       0.168844         4.5945 
 252   0.0000       0.170915         4.6508 
 253   0.0000       0.172677         4.6988 
 254   0.0000       0.173898         4.7320 
 255   0.0000       0.175054         4.7635 
 256   0.0000       0.175644         4.7795 
 257   0.0000       0.176636         4.8065 
 258   0.0000       0.177692         4.8353 
 259   0.0000       0.180497         4.9116 
 260   0.0000       0.182760         4.9731 
 261   0.0000       0.182894         4.9768 
 262   0.0000       0.185655         5.0519 
 263   0.0000       0.187029         5.0893 
 264   0.0000       0.187927         5.1138 
 265   0.0000       0.189093         5.1455 
 266   0.0000       0.191559         5.2126 
 267   0.0000       0.192465         5.2372 
 268   0.0000       0.193796         5.2735 
 269   0.0000       0.196776         5.3545 
 270   0.0000       0.197570         5.3762 
 271   0.0000       0.198161         5.3922 
 272   0.0000       0.199472         5.4279 
 273   0.0000       0.200869         5.4659 
 274   0.0000       0.202830         5.5193 
 275   0.0000       0.205152         5.5825 
 276   0.0000       0.206220         5.6115 
 277   0.0000       0.206625         5.6225 
 278   0.0000       0.208749         5.6803 
 279   0.0000       0.210233         5.7207 
 280   0.0000       0.210502         5.7281 
 281   0.0000       0.213119         5.7993 
 282   0.0000       0.217289         5.9127 
 283   0.0000       0.217742         5.9251 
 284   0.0000       0.218155         5.9363 
 285   0.0000       0.219316         5.9679 
 286   0.0000       0.221741         6.0339 
 287   0.0000       0.222839         6.0638 
 288   0.0000       0.223816         6.0903 
 289   0.0000       0.227020         6.1775 
 290   0.0000       0.227758         6.1976 
 291   0.0000       0.228901         6.2287 
 292   0.0000       0.229959         6.2575 
 293   0.0000       0.230309         6.2670 
 294   0.0000       0.232734         6.3330 
 295   0.0000       0.234417         6.3788 
 296   0.0000       0.235552         6.4097 
 297   0.0000       0.236686         6.4405 
 298   0.0000       0.237334         6.4582 
 299   0.0000       0.237680         6.4676 
 300   0.0000       0.238541         6.4910 
 301   0.0000       0.240353         6.5403 
 302   0.0000       0.242177         6.5900 
 303   0.0000       0.243521         6.6265 
 304   0.0000       0.247534         6.7357 
 305   0.0000       0.247659         6.7392 
 306   0.0000       0.248577         6.7641 
 307   0.0000       0.251924         6.8552 
 308   0.0000       0.252935         6.8827 
 309   0.0000       0.255043         6.9401 
 310   0.0000       0.255579         6.9547 
 311   0.0000       0.257302         7.0016 
 312   0.0000       0.260237         7.0814 
 313   0.0000       0.261558         7.1173 
 314   0.0000       0.262888         7.1536 
 315   0.0000       0.264342         7.1931 
 316   0.0000       0.265508         7.2248 
 317   0.0000       0.267816         7.2876 
 318   0.0000       0.268434         7.3045 
 319   0.0000       0.271003         7.3744 
 320   0.0000       0.271731         7.3942 
 321   0.0000       0.273208         7.4344 
 322   0.0000       0.274900         7.4804 
 323   0.0000       0.276436         7.5222 
 324   0.0000       0.277505         7.5513 
 325   0.0000       0.279324         7.6008 
 326   0.0000       0.280717         7.6387 
 327   0.0000       0.282449         7.6858 
 328   0.0000       0.283310         7.7093 
 329   0.0000       0.284827         7.7505 
 330   0.0000       0.287899         7.8341 
 331   0.0000       0.289192         7.8693 
 332   0.0000       0.290104         7.8941 
 333   0.0000       0.290622         7.9082 
 334   0.0000       0.295564         8.0427 
 335   0.0000       0.295760         8.0480 
 336   0.0000       0.298652         8.1267 
 337   0.0000       0.300353         8.1730 
 338   0.0000       0.301936         8.2161 
 339   0.0000       0.302400         8.2287 
 340   0.0000       0.306944         8.3524 
 341   0.0000       0.307647         8.3715 
 342   0.0000       0.309343         8.4176 
 343   0.0000       0.311901         8.4872 
 344   0.0000       0.313503         8.5308 
 345   0.0000       0.315232         8.5779 
 346   0.0000       0.319507         8.6942 
 347   0.0000       0.320516         8.7217 
 348   0.0000       0.324130         8.8200 
 349   0.0000       0.324503         8.8302 
 350   0.0000       0.326833         8.8936 
 351   0.0000       0.327887         8.9223 
 352   0.0000       0.332131         9.0377 
 353   0.0000       0.337255         9.1772 
 354   0.0000       0.337516         9.1843 
 355   0.0000       0.339324         9.2335 
 356   0.0000       0.342663         9.3243 
 357   0.0000       0.343855         9.3568 
 358   0.0000       0.347078         9.4445 
 359   0.0000       0.347950         9.4682 
 360   0.0000       0.350857         9.5473 
 361   0.0000       0.351595         9.5674 
 362   0.0000       0.355788         9.6815 
 363   0.0000       0.356816         9.7095 
 364   0.0000       0.360826         9.8186 
 365   0.0000       0.362128         9.8540 
 366   0.0000       0.364823         9.9273 
 367   0.0000       0.367026         9.9873 
 368   0.0000       0.368891        10.0380 
 369   0.0000       0.371066        10.0972 
 370   0.0000       0.373427        10.1615 
 371   0.0000       0.375228        10.2105 
 372   0.0000       0.377932        10.2841 
 373   0.0000       0.381409        10.3787 
 374   0.0000       0.382781        10.4160 
 375   0.0000       0.384927        10.4744 
 376   0.0000       0.387369        10.5409 
 377   0.0000       0.392268        10.6741 
 378   0.0000       0.392325        10.6757 
 379   0.0000       0.395512        10.7624 
 380   0.0000       0.397698        10.8219 
 381   0.0000       0.399778        10.8785 
 382   0.0000       0.400644        10.9021 
 383   0.0000       0.402794        10.9606 
 384   0.0000       0.406862        11.0713 
 385   0.0000       0.409648        11.1471 
 386   0.0000       0.410761        11.1774 
 387   0.0000       0.416066        11.3217 
 388   0.0000       0.416312        11.3284 
 389   0.0000       0.419291        11.4095 
 390   0.0000       0.420511        11.4427 
 391   0.0000       0.421005        11.4561 
 392   0.0000       0.426467        11.6048 
 393   0.0000       0.428837        11.6692 
 394   0.0000       0.430167        11.7054 
 395   0.0000       0.431220        11.7341 
 396   0.0000       0.433956        11.8085 
 397   0.0000       0.436466        11.8768 
 398   0.0000       0.437478        11.9044 
 399   0.0000       0.439815        11.9680 
 400   0.0000       0.442430        12.0391 
 401   0.0000       0.445196        12.1144 
 402   0.0000       0.447286        12.1713 
 403   0.0000       0.451454        12.2847 
 404   0.0000       0.453579        12.3425 
 405   0.0000       0.455601        12.3975 
 406   0.0000       0.458521        12.4770 
 407   0.0000       0.460788        12.5387 
 408   0.0000       0.461658        12.5623 
 409   0.0000       0.463194        12.6041 
 410   0.0000       0.463661        12.6169 
 411   0.0000       0.465513        12.6672 
 412   0.0000       0.470964        12.8156 
 413   0.0000       0.471733        12.8365 
 414   0.0000       0.473976        12.8975 
 415   0.0000       0.475393        12.9361 
 416   0.0000       0.477034        12.9807 
 417   0.0000       0.477850        13.0030 
 418   0.0000       0.482697        13.1348 
 419   0.0000       0.483540        13.1578 
 420   0.0000       0.483991        13.1701 
 421   0.0000       0.487089        13.2544 
 422   0.0000       0.491156        13.3650 
 423   0.0000       0.492278        13.3956 
 424   0.0000       0.494116        13.4456 
 425   0.0000       0.494945        13.4681 
 426   0.0000       0.497674        13.5424 
 427   0.0000       0.499488        13.5918 
 428   0.0000       0.501004        13.6330 
 429   0.0000       0.501621        13.6498 
 430   0.0000       0.504478        13.7276 
 431   0.0000       0.506840        13.7918 
 432   0.0000       0.509257        13.8576 
 433   0.0000       0.510958        13.9039 
 434   0.0000       0.512792        13.9538 
 435   0.0000       0.513838        13.9822 
 436   0.0000       0.515581        14.0297 
 437   0.0000       0.516786        14.0624 
 438   0.0000       0.518106        14.0984 
 439   0.0000       0.519705        14.1419 
 440   0.0000       0.522183        14.2093 
 441   0.0000       0.522901        14.2289 
 442   0.0000       0.526562        14.3285 
 443   0.0000       0.528738        14.3877 
 444   0.0000       0.529238        14.4013 
 445   0.0000       0.531148        14.4533 
 446   0.0000       0.532299        14.4846 
 447   0.0000       0.534832        14.5535 
 448   0.0000       0.535715        14.5775 
 449   0.0000       0.540388        14.7047 
 450   0.0000       0.541841        14.7443 
 451   0.0000       0.543751        14.7962 
 452   0.0000       0.545110        14.8332 
 453   0.0000       0.546738        14.8775 
 454   0.0000       0.548632        14.9290 
 455   0.0000       0.550449        14.9785 
 456   0.0000       0.553033        15.0488 
 457   0.0000       0.554812        15.0972 
 458   0.0000       0.555171        15.1070 
 459   0.0000       0.556897        15.1539 
 460   0.0000       0.559908        15.2359 
 461   0.0000       0.561015        15.2660 
 462   0.0000       0.561431        15.2773 
 463   0.0000       0.562757        15.3134 
 464   0.0000       0.565159        15.3787 
 465   0.0000       0.566707        15.4209 
 466   0.0000       0.569270        15.4906 
 467   0.0000       0.571850        15.5608 
 468   0.0000       0.572938        15.5904 
 469   0.0000       0.575786        15.6679 
 470   0.0000       0.576038        15.6748 
 471   0.0000       0.577406        15.7120 
 472   0.0000       0.580280        15.7902 
 473   0.0000       0.582248        15.8438 
 474   0.0000       0.585196        15.9240 
 475   0.0000       0.585717        15.9382 
 476   0.0000       0.586908        15.9706 
 477   0.0000       0.588091        16.0028 
 478   0.0000       0.588918        16.0253 
 479   0.0000       0.592983        16.1359 
 480   0.0000       0.593741        16.1565 
 481   0.0000       0.596101        16.2207 
 482   0.0000       0.597397        16.2560 
 483   0.0000       0.600021        16.3274 
 484   0.0000       0.601104        16.3569 
 485   0.0000       0.603244        16.4151 
 486   0.0000       0.605548        16.4778 
 487   0.0000       0.608045        16.5458 
 488   0.0000       0.609646        16.5893 
 489   0.0000       0.610029        16.5997 
 490   0.0000       0.610265        16.6062 
 491   0.0000       0.612746        16.6737 
 492   0.0000       0.613906        16.7052 
 493   0.0000       0.614690        16.7266 
 494   0.0000       0.615870        16.7587 
 495   0.0000       0.618920        16.8417 
 496   0.0000       0.619558        16.8590 
 497   0.0000       0.623578        16.9684 
 498   0.0000       0.625481        17.0202 
 499   0.0000       0.626465        17.0470 
 500   0.0000       0.628566        17.1042 
 501   0.0000       0.631241        17.1769 
 502   0.0000       0.633627        17.2419 
 503   0.0000       0.634321        17.2608 
 504   0.0000       0.635252        17.2861 
 505   0.0000       0.636429        17.3181 
 506   0.0000       0.637848        17.3567 
 507   0.0000       0.640013        17.4156 
 508   0.0000       0.641806        17.4644 
 509   0.0000       0.643905        17.5215 
 510   0.0000       0.645975        17.5779 
 511   0.0000       0.647633        17.6230 
 512   0.0000       0.649904        17.6848 
 513   0.0000       0.652450        17.7541 
 514   0.0000       0.654235        17.8026 
 515   0.0000       0.655370        17.8335 
 516   0.0000       0.656137        17.8544 
 517   0.0000       0.657935        17.9033 
 518   0.0000       0.659996        17.9594 
 519   0.0000       0.661003        17.9868 
 520   0.0000       0.664082        18.0706 
 521   0.0000       0.664592        18.0845 
 522   0.0000       0.665539        18.1102 
 523   0.0000       0.668138        18.1810 
 524   0.0000       0.671493        18.2723 
 525   0.0000       0.672820        18.3084 
 526   0.0000       0.675454        18.3800 
 527   0.0000       0.676781        18.4162 
 528   0.0000       0.677967        18.4484 
 529   0.0000       0.680885        18.5278 
 530   0.0000       0.682241        18.5647 
 531   0.0000       0.683865        18.6089 
 532   0.0000       0.686290        18.6749 
 533   0.0000       0.687558        18.7094 
 534   0.0000       0.689416        18.7600 
 535   0.0000       0.693255        18.8644 
 536   0.0000       0.695792        18.9335 
 537   0.0000       0.696862        18.9626 
 538   0.0000       0.698710        19.0129 
 539   0.0000       0.700498        19.0615 
 540   0.0000       0.701685        19.0938 
 541   0.0000       0.702804        19.1243 
 542   0.0000       0.705322        19.1928 
 543   0.0000       0.706976        19.2378 
 544   0.0000       0.708307        19.2740 
 545   0.0000       0.709499        19.3065 
 546   0.0000       0.713179        19.4066 
 547   0.0000       0.714633        19.4461 
 548   0.0000       0.716658        19.5012 
 549   0.0000       0.717838        19.5334 
 550   0.0000       0.719643        19.5825 
 551   0.0000       0.721570        19.6349 
 552   0.0000       0.722501        19.6603 
 553   0.0000       0.725411        19.7394 
 554   0.0000       0.727260        19.7897 
 555   0.0000       0.729633        19.8543 
 556   0.0000       0.732447        19.9309 
 557   0.0000       0.733864        19.9695 
 558   0.0000       0.736044        20.0288 
 559   0.0000       0.736388        20.0381 
 560   0.0000       0.738191        20.0872 
 561   0.0000       0.739812        20.1313 
 562   0.0000       0.743063        20.2198 
 563   0.0000       0.744997        20.2724 
 564   0.0000       0.747014        20.3273 
 565   0.0000       0.747861        20.3503 
 566   0.0000       0.750183        20.4135 
 567   0.0000       0.752184        20.4680 
 568   0.0000       0.753759        20.5108 
 569   0.0000       0.756651        20.5895 
 570   0.0000       0.757293        20.6070 
 571   0.0000       0.759325        20.6623 
 572   0.0000       0.761941        20.7335 
 573   0.0000       0.762612        20.7517 
 574   0.0000       0.764623        20.8065 
 575   0.0000       0.767694        20.8900 
 576   0.0000       0.769499        20.9391 
 577   0.0000       0.769980        20.9522 
 578   0.0000       0.771151        20.9841 
 579   0.0000       0.774966        21.0879 
 580   0.0000       0.775476        21.1018 
 581   0.0000       0.777848        21.1663 
 582   0.0000       0.779659        21.2156 
 583   0.0000       0.782429        21.2910 
 584   0.0000       0.783887        21.3306 
 585   0.0000       0.786916        21.4131 
 586   0.0000       0.790010        21.4973 
 587   0.0000       0.790358        21.5067 
 588   0.0000       0.791699        21.5432 
 589   0.0000       0.795366        21.6430 
 590   0.0000       0.795739        21.6532 
 591   0.0000       0.799654        21.7597 
 592   0.0000       0.800214        21.7749 
 593   0.0000       0.801740        21.8164 
 594   0.0000       0.803655        21.8686 
 595   0.0000       0.806253        21.9392 
 596   0.0000       0.809632        22.0312 
 597   0.0000       0.810688        22.0599 
 598   0.0000       0.812217        22.1016 
 599   0.0000       0.814402        22.1610 
 600   0.0000       0.814831        22.1727 
 601   0.0000       0.819260        22.2932 
 602   0.0000       0.821126        22.3440 
 603   0.0000       0.822731        22.3877 
 604   0.0000       0.824288        22.4300 
 605   0.0000       0.826055        22.4781 
 606   0.0000       0.828784        22.5524 
 607   0.0000       0.830928        22.6107 
 608   0.0000       0.832434        22.6517 
 609   0.0000       0.836228        22.7549 
 610   0.0000       0.837671        22.7942 
 611   0.0000       0.838267        22.8104 
 612   0.0000       0.841194        22.8901 
 613   0.0000       0.842508        22.9258 
 614   0.0000       0.846681        23.0394 
 615   0.0000       0.849512        23.1164 
 616   0.0000       0.851552        23.1719 
 617   0.0000       0.853366        23.2213 
 618   0.0000       0.855091        23.2682 
 619   0.0000       0.856128        23.2964 
 620   0.0000       0.860871        23.4255 
 621   0.0000       0.861310        23.4374 
 622   0.0000       0.864273        23.5181 
 623   0.0000       0.865479        23.5509 
 624   0.0000       0.869926        23.6719 
 625   0.0000       0.870052        23.6753 
 626   0.0000       0.872013        23.7287 
 627   0.0000       0.873733        23.7755 
 628   0.0000       0.875544        23.8248 
 629   0.0000       0.877797        23.8861 
 630   0.0000       0.879789        23.9403 
 631   0.0000       0.883800        24.0494 
 632   0.0000       0.885366        24.0920 
 633   0.0000       0.888099        24.1664 
 634   0.0000       0.890422        24.2296 
 635   0.0000       0.893784        24.3211 
 636   0.0000       0.897797        24.4303 
 637   0.0000       0.898548        24.4507 
 638   0.0000       0.903112        24.5749 
 639   0.0000       0.905189        24.6314 
 640   0.0000       0.906043        24.6547 
 641   0.0000       0.907880        24.7047 
 642   0.0000       0.909624        24.7521 
 643   0.0000       0.912908        24.8415 
 644   0.0000       0.915235        24.9048 
 645   0.0000       0.915827        24.9209 
 646   0.0000       0.918499        24.9936 
 647   0.0000       0.920596        25.0507 
 648   0.0000       0.921263        25.0688 
 649   0.0000       0.923244        25.1227 
 650   0.0000       0.928615        25.2689 
 651   0.0000       0.928918        25.2771 
 652   0.0000       0.930852        25.3298 
 653   0.0000       0.932179        25.3659 
 654   0.0000       0.935478        25.4557 
 655   0.0000       0.937061        25.4987 
 656   0.0000       0.940932        25.6041 
 657   0.0000       0.941818        25.6282 
 658   0.0000       0.943477        25.6733 
 659   0.0000       0.945152        25.7189 
 660   0.0000       0.947421        25.7806 
 661   0.0000       0.949047        25.8249 
 662   0.0000       0.951292        25.8860 
 663   0.0000       0.954225        25.9658 
 664   0.0000       0.955531        26.0013 
 665   0.0000       0.957896        26.0657 
 666   0.0000       0.960513        26.1369 
 667   0.0000       0.962781        26.1986 
 668   0.0000       0.964066        26.2336 
 669   0.0000       0.964903        26.2563 
 670   0.0000       0.969431        26.3796 
 671   0.0000       0.969765        26.3886 
 672   0.0000       0.971471        26.4351 
 673   0.0000       0.975506        26.5449 
 674   0.0000       0.977875        26.6093 
 675   0.0000       0.979968        26.6663 
 676   0.0000       0.983016        26.7492 
 677   0.0000       0.987843        26.8806 
 678   0.0000       0.988426        26.8964 
 679   0.0000       0.991322        26.9752 
 680   0.0000       0.992233        27.0000 
 681   0.0000       0.993627        27.0380 
 682   0.0000       0.995116        27.0785 
 683   0.0000       0.997154        27.1339 
 684   0.0000       1.000528        27.2257 
 685   0.0000       1.002538        27.2805 
 686   0.0000       1.003233        27.2994 
 687   0.0000       1.007233        27.4082 
 688   0.0000       1.008960        27.4552 
 689   0.0000       1.011067        27.5125 
 690   0.0000       1.013231        27.5714 
 691   0.0000       1.019462        27.7410 
 692   0.0000       1.020229        27.7619 
 693   0.0000       1.021696        27.8017 
 694   0.0000       1.025148        27.8957 
 695   0.0000       1.027428        27.9577 
 696   0.0000       1.029003        28.0006 
 697   0.0000       1.029728        28.0203 
 698   0.0000       1.032873        28.1059 
 699   0.0000       1.034596        28.1528 
 700   0.0000       1.039957        28.2987 
 701   0.0000       1.040153        28.3040 
 702   0.0000       1.042518        28.3684 
 703   0.0000       1.043788        28.4029 
 704   0.0000       1.044838        28.4315 
 705   0.0000       1.048757        28.5381 
 706   0.0000       1.049725        28.5645 
 707   0.0000       1.053708        28.6729 
 708   0.0000       1.054916        28.7057 
 709   0.0000       1.056123        28.7386 
 710   0.0000       1.058276        28.7972 
 711   0.0000       1.061077        28.8734 
 712   0.0000       1.062765        28.9193 
 713   0.0000       1.065496        28.9936 
 714   0.0000       1.066655        29.0252 
 715   0.0000       1.069600        29.1053 
 716   0.0000       1.070244        29.1228 
 717   0.0000       1.073218        29.2037 
 718   0.0000       1.075794        29.2738 
 719   0.0000       1.077496        29.3202 
 720   0.0000       1.082751        29.4632 
 721   0.0000       1.083803        29.4918 
 722   0.0000       1.084792        29.5187 
 723   0.0000       1.087661        29.5968 
 724   0.0000       1.093190        29.7472 
 725   0.0000       1.094142        29.7731 
 726   0.0000       1.094349        29.7788 
 727   0.0000       1.097040        29.8520 
 728   0.0000       1.099872        29.9290 
 729   0.0000       1.101003        29.9598 
 730   0.0000       1.104305        30.0497 
 731   0.0000       1.105966        30.0949 
 732   0.0000       1.107481        30.1361 
 733   0.0000       1.112365        30.2690 
 734   0.0000       1.113582        30.3021 
 735   0.0000       1.117670        30.4134 
 736   0.0000       1.118487        30.4356 
 737   0.0000       1.119338        30.4587 
 738   0.0000       1.123679        30.5769 
 739   0.0000       1.126650        30.6577 
 740   0.0000       1.127906        30.6919 
 741   0.0000       1.129250        30.7284 
 742   0.0000       1.131404        30.7871 
 743   0.0000       1.133303        30.8387 
 744   0.0000       1.134483        30.8708 
 745   0.0000       1.136678        30.9306 
 746   0.0000       1.142205        31.0810 
 747   0.0000       1.143442        31.1146 
 748   0.0000       1.146841        31.2071 
 749   0.0000       1.147343        31.2208 
 750   0.0000       1.150316        31.3017 
 751   0.0000       1.152473        31.3604 
 752   0.0000       1.154263        31.4091 
 753   0.0000       1.156748        31.4767 
 754   0.0000       1.161225        31.5985 
 755   0.0000       1.162346        31.6290 
 756   0.0000       1.165334        31.7104 
 757   0.0000       1.165547        31.7162 
 758   0.0000       1.168218        31.7888 
 759   0.0000       1.170283        31.8450 
 760   0.0000       1.173317        31.9276 
 761   0.0000       1.175210        31.9791 
 762   0.0000       1.178608        32.0716 
 763   0.0000       1.181915        32.1615 
 764   0.0000       1.183521        32.2052 
 765   0.0000       1.184700        32.2373 
 766   0.0000       1.187147        32.3039 
 767   0.0000       1.189418        32.3657 
 768   0.0000       1.191009        32.4090 
 769   0.0000       1.196802        32.5666 
 770   0.0000       1.197004        32.5721 
 771   0.0000       1.198516        32.6133 
 772   0.0000       1.200893        32.6779 
 773   0.0000       1.202163        32.7125 
 774   0.0000       1.205529        32.8041 
 775   0.0000       1.207669        32.8623 
 776   0.0000       1.208997        32.8985 
 777   0.0000       1.213706        33.0266 
 778   0.0000       1.217386        33.1267 
 779   0.0000       1.218357        33.1532 
 780   0.0000       1.220472        33.2107 
 781   0.0000       1.225278        33.3415 
 782   0.0000       1.227231        33.3947 
 783   0.0000       1.228799        33.4373 
 784   0.0000       1.229713        33.4622 
 785   0.0000       1.232173        33.5291 
 786   0.0000       1.236812        33.6554 
 787   0.0000       1.240728        33.7619 
 788   0.0000       1.242136        33.8002 
 789   0.0000       1.244946        33.8767 
 790   0.0000       1.247762        33.9533 
 791   0.0000       1.248720        33.9794 
 792   0.0000       1.253366        34.1058 
 793   0.0000       1.256557        34.1927 
 794   0.0000       1.259922        34.2842 
 795   0.0000       1.260077        34.2884 
 796   0.0000       1.263385        34.3785 
 797   0.0000       1.268894        34.5284 
 798   0.0000       1.270336        34.5676 
 799   0.0000       1.271583        34.6015 
 800   0.0000       1.274517        34.6814 
 801   0.0000       1.275326        34.7034 
 802   0.0000       1.279336        34.8125 
 803   0.0000       1.280376        34.8408 
 804   0.0000       1.282596        34.9012 
 805   0.0000       1.283857        34.9355 
 806   0.0000       1.287204        35.0266 
 807   0.0000       1.288076        35.0503 
 808   0.0000       1.290564        35.1180 
 809   0.0000       1.295164        35.2432 
 810   0.0000       1.298852        35.3436 
 811   0.0000       1.300327        35.3837 
 812   0.0000       1.303387        35.4670 
 813   0.0000       1.304545        35.4985 
 814   0.0000       1.305763        35.5316 
 815   0.0000       1.310215        35.6528 
 816   0.0000       1.312218        35.7073 
 817   0.0000       1.314498        35.7693 
 818   0.0000       1.316430        35.8219 
 819   0.0000       1.320066        35.9208 
 820   0.0000       1.323258        36.0077 
 821   0.0000       1.324363        36.0378 
 822   0.0000       1.328379        36.1470 
 823   0.0000       1.331585        36.2343 
 824   0.0000       1.333588        36.2888 
 825   0.0000       1.334521        36.3142 
 826   0.0000       1.337147        36.3856 
 827   0.0000       1.340824        36.4857 
 828   0.0000       1.344967        36.5984 
 829   0.0000       1.347404        36.6647 
 830   0.0000       1.350311        36.7438 
 831   0.0000       1.354639        36.8616 
 832   0.0000       1.356341        36.9079 
 833   0.0000       1.357491        36.9392 
 834   0.0000       1.363383        37.0995 
 835   0.0000       1.365068        37.1454 
 836   0.0000       1.366256        37.1777 
 837   0.0000       1.368785        37.2465 
 838   0.0000       1.374477        37.4014 
 839   0.0000       1.378352        37.5069 
 840   0.0000       1.378694        37.5162 
 841   0.0000       1.381999        37.6061 
 842   0.0000       1.384359        37.6703 
 843   0.0000       1.389319        37.8053 
 844   0.0000       1.390206        37.8294 
 845   0.0000       1.393211        37.9112 
 846   0.0000       1.397631        38.0315 
 847   0.0000       1.399993        38.0958 
 848   0.0000       1.405502        38.2456 
 849   0.0000       1.406638        38.2766 
 850   0.0000       1.407359        38.2962 
 851   0.0000       1.411784        38.4166 
 852   0.0000       1.415900        38.5286 
 853   0.0000       1.421746        38.6877 
 854   0.0000       1.423216        38.7277 
 855   0.0000       1.426129        38.8069 
 856   0.0000       1.427647        38.8483 
 857   0.0000       1.429685        38.9037 
 858   0.0000       1.431441        38.9515 
 859   0.0000       1.434575        39.0368 
 860   0.0000       1.436943        39.1012 
 861   0.0000       1.441649        39.2293 
 862   0.0000       1.442930        39.2641 
 863   0.0000       1.445106        39.3233 
 864   0.0000       1.446540        39.3624 
 865   0.0000       1.450959        39.4826 
 866   0.0000       1.454684        39.5840 
 867   0.0000       1.458086        39.6765 
 868   0.0000       1.461904        39.7804 
 869   0.0000       1.466839        39.9147 
 870   0.0000       1.466958        39.9180 
 871   0.0000       1.471853        40.0512 
 872   0.0000       1.472638        40.0725 
 873   0.0000       1.474070        40.1115 
 874   0.0000       1.478067        40.2203 
 875   0.0000       1.482479        40.3403 
 876   0.0000       1.483402        40.3654 
 877   0.0000       1.484487        40.3949 
 878   0.0000       1.486320        40.4448 
 879   0.0000       1.491344        40.5815 
 880   0.0000       1.493515        40.6406 
 881   0.0000       1.495016        40.6814 
 882   0.0000       1.497792        40.7570 
 883   0.0000       1.500372        40.8272 
 884   0.0000       1.502057        40.8731 
 885   0.0000       1.503758        40.9193 
 886   0.0000       1.504619        40.9428 
 887   0.0000       1.508724        41.0545 
 888   0.0000       1.509649        41.0796 
 889   0.0000       1.511455        41.1288 
 890   0.0000       1.515985        41.2520 
 891   0.0000       1.518306        41.3152 
 892   0.0000       1.519540        41.3488 
 893   0.0000       1.523973        41.4694 
 894   0.0000       1.525653        41.5151 
 895   0.0000       1.526579        41.5403 
 896   0.0000       1.528591        41.5951 
 897   0.0000       1.531200        41.6661 
 898   0.0000       1.534594        41.7584 
 899   0.0000       1.537460        41.8364 
 900   0.0000       1.540385        41.9160 
 901   0.0000       1.543814        42.0093 
 902   0.0000       1.544137        42.0181 
 903   0.0000       1.546672        42.0871 
 904   0.0000       1.548652        42.1410 
 905   0.0000       1.551194        42.2101 
 906   0.0000       1.553422        42.2708 
 907   0.0000       1.557610        42.3847 
 908   0.0000       1.560839        42.4726 
 909   0.0000       1.562684        42.5228 
 910   0.0000       1.566815        42.6352 
 911   0.0000       1.569965        42.7209 
 912   0.0000       1.570794        42.7435 
 913   0.0000       1.572947        42.8021 
 914   0.0000       1.575735        42.8779 
 915   0.0000       1.578037        42.9406 
 916   0.0000       1.580456        43.0064 
 917   0.0000       1.582505        43.0622 
 918   0.0000       1.584681        43.1214 
 919   0.0000       1.589378        43.2492 
 920   0.0000       1.592350        43.3301 
 921   0.0000       1.594822        43.3973 
 922   0.0000       1.598145        43.4877 
 923   0.0000       1.598672        43.5021 
 924   0.0000       1.601891        43.5897 
 925   0.0000       1.607769        43.7496 
 926   0.0000       1.608374        43.7661 
 927   0.0000       1.613688        43.9107 
 928   0.0000       1.615899        43.9709 
 929   0.0000       1.618116        44.0312 
 930   0.0000       1.621599        44.1260 
 931   0.0000       1.624712        44.2107 
 932   0.0000       1.628392        44.3108 
 933   0.0000       1.631847        44.4048 
 934   0.0000       1.635355        44.5003 
 935   0.0000       1.639254        44.6064 
 936   0.0000       1.641467        44.6666 
 937   0.0000       1.643726        44.7281 
 938   0.0000       1.648453        44.8567 
 939   0.0000       1.651149        44.9301 
 940   0.0000       1.653181        44.9853 
 941   0.0000       1.656992        45.0890 
 942   0.0000       1.659941        45.1693 
 943   0.0000       1.666471        45.3470 
 944   0.0000       1.668839        45.4114 
 945   0.0000       1.674379        45.5622 
 946   0.0000       1.677549        45.6484 
 947   0.0000       1.680251        45.7220 
 948   0.0000       1.686790        45.8999 
 949   0.0000       1.690657        46.0051 
 950   0.0000       1.692877        46.0655 
 951   0.0000       1.698453        46.2172 
 952   0.0000       1.700892        46.2836 
 953   0.0000       1.702712        46.3332 
 954   0.0000       1.706968        46.4490 
 955   0.0000       1.708808        46.4990 
 956   0.0000       1.712952        46.6118 
 957   0.0000       1.718587        46.7651 
 958   0.0000       1.725777        46.9608 
 959   0.0000       1.727697        47.0130 
 960   0.0000       1.728917        47.0462 
 961   0.0000       1.733220        47.1633 
 962   0.0000       1.741013        47.3754 
 963   0.0000       1.741685        47.3937 
 964   0.0000       1.743526        47.4437 
 965   0.0000       1.747392        47.5490 
 966   0.0000       1.749834        47.6154 
 967   0.0000       1.756321        47.7919 
 968   0.0000       1.758343        47.8469 
 969   0.0000       1.760616        47.9088 
 970   0.0000       1.764773        48.0219 
 971   0.0000       1.767786        48.1039 
 972   0.0000       1.769976        48.1635 
 973   0.0000       1.773103        48.2486 
 974   0.0000       1.774919        48.2980 
 975   0.0000       1.777824        48.3770 
 976   0.0000       1.780398        48.4471 
 977   0.0000       1.782973        48.5172 
 978   0.0000       1.784496        48.5586 
 979   0.0000       1.788738        48.6740 
 980   0.0000       1.792611        48.7794 
 981   0.0000       1.796106        48.8745 
 982   0.0000       1.798352        48.9357 
 983   0.0000       1.802132        49.0385 
 984   0.0000       1.803451        49.0744 
 985   0.0000       1.805673        49.1349 
 986   0.0000       1.808098        49.2009 
 987   0.0000       1.814148        49.3655 
 988   0.0000       1.816799        49.4376 
 989   0.0000       1.819483        49.5106 
 990   0.0000       1.821493        49.5653 
 991   0.0000       1.824763        49.6543 
 992   0.0000       1.825845        49.6838 
 993   0.0000       1.828469        49.7552 
 994   0.0000       1.832573        49.8668 
 995   0.0000       1.836236        49.9665 
 996   0.0000       1.838820        50.0368 
 997   0.0000       1.839627        50.0588 
 998   0.0000       1.841553        50.1112 
 999   0.0000       1.845368        50.2150 
 1000   0.0000       1.847570        50.2749 
 1001   0.0000       1.849340        50.3231 
 1002   0.0000       1.850023        50.3417 
 1003   0.0000       1.851835        50.3910 
 1004   0.0000       1.855770        50.4981 
 1005   0.0000       1.857060        50.5332 
 1006   0.0000       1.860655        50.6310 
 1007   0.0000       1.863747        50.7151 
 1008   0.0000       1.867816        50.8259 
 1009   0.0000       1.869409        50.8692 
 1010   0.0000       1.870920        50.9103 
 1011   0.0000       1.875257        51.0283 
 1012   0.0000       1.876297        51.0566 
 1013   0.0000       1.880189        51.1625 
 1014   0.0000       1.882059        51.2134 
 1015   0.0000       1.883208        51.2447 
 1016   0.0000       1.884607        51.2828 
 1017   0.0000       1.887863        51.3714 
 1018   0.0000       1.889583        51.4182 
 1019   0.0000       1.891246        51.4634 
 1020   0.0000       1.892933        51.5093 
 1021   0.0000       1.895471        51.5784 
 1022   0.0000       1.898048        51.6485 
 1023   0.0000       1.900743        51.7218 
 1024   0.0000       1.901391        51.7395 
 1025   0.0000       1.906355        51.8746 
 1026   0.0000       1.907224        51.8982 
 1027   0.0000       1.908377        51.9296 
 1028   0.0000       1.908866        51.9429 
 1029   0.0000       1.912442        52.0402 
 1030   0.0000       1.916067        52.1388 
 1031   0.0000       1.918515        52.2054 
 1032   0.0000       1.920308        52.2542 
 1033   0.0000       1.920908        52.2706 
 1034   0.0000       1.922932        52.3256 
 1035   0.0000       1.925997        52.4090 
 1036   0.0000       1.927610        52.4529 
 1037   0.0000       1.929658        52.5087 
 1038   0.0000       1.931573        52.5608 
 1039   0.0000       1.932992        52.5994 
 1040   0.0000       1.935249        52.6608 
 1041   0.0000       1.937463        52.7210 
 1042   0.0000       1.938706        52.7549 
 1043   0.0000       1.943709        52.8910 
 1044   0.0000       1.945943        52.9518 
 1045   0.0000       1.948887        53.0319 
 1046   0.0000       1.950755        53.0828 
 1047   0.0000       1.952272        53.1240 
 1048   0.0000       1.954104        53.1739 
 1049   0.0000       1.956686        53.2441 
 1050   0.0000       1.957929        53.2780 
 1051   0.0000       1.960376        53.3445 
 1052   0.0000       1.961089        53.3639 
 1053   0.0000       1.961623        53.3785 
 1054   0.0000       1.965904        53.4950 
 1055   0.0000       1.968360        53.5618 
 1056   0.0000       1.969197        53.5846 
 1057   0.0000       1.970037        53.6074 
 1058   0.0000       1.972754        53.6814 
 1059   0.0000       1.974431        53.7270 
 1060   0.0000       1.979053        53.8528 
 1061   0.0000       1.979512        53.8653 
 1062   0.0000       1.982260        53.9400 
 1063   0.0000       1.984824        54.0098 
 1064   0.0000       1.987093        54.0716 
 1065   0.0000       1.989035        54.1244 
 1066   0.0000       1.991320        54.1866 
 1067   0.0000       1.991537        54.1925 
 1068   0.0000       1.994046        54.2607 
 1069   0.0000       1.996608        54.3305 
 1070   0.0000       1.998062        54.3700 
 1071   0.0000       1.999971        54.4220 
 1072   0.0000       2.001120        54.4533 
 1073   0.0000       2.002705        54.4964 
 1074   0.0000       2.003368        54.5144 
 1075   0.0000       2.004984        54.5584 
 1076   0.0000       2.006657        54.6039 
 1077   0.0000       2.010119        54.6981 
 1078   0.0000       2.010377        54.7051 
 1079   0.0000       2.013514        54.7905 
 1080   0.0000       2.015078        54.8331 
 1081   0.0000       2.016281        54.8658 
 1082   0.0000       2.020279        54.9746 
 1083   0.0000       2.022349        55.0309 
 1084   0.0000       2.023476        55.0616 
 1085   0.0000       2.025965        55.1293 
 1086   0.0000       2.027975        55.1840 
 1087   0.0000       2.029540        55.2266 
 1088   0.0000       2.034258        55.3550 
 1089   0.0000       2.035303        55.3834 
 1090   0.0000       2.035519        55.3893 
 1091   0.0000       2.037961        55.4557 
 1092   0.0000       2.041729        55.5583 
 1093   0.0000       2.043730        55.6127 
 1094   0.0000       2.043990        55.6198 
 1095   0.0000       2.045544        55.6621 
 1096   0.0000       2.049809        55.7781 
 1097   0.0000       2.050456        55.7957 
 1098   0.0000       2.051802        55.8324 
 1099   0.0000       2.053965        55.8912 
 1100   0.0000       2.056610        55.9632 
 1101   0.0000       2.057513        55.9878 
 1102   0.0000       2.060085        56.0578 
 1103   0.0000       2.062922        56.1350 
 1104   0.0000       2.064279        56.1719 
 1105   0.0000       2.065280        56.1991 
 1106   0.0000       2.067476        56.2589 
 1107   0.0000       2.071562        56.3701 
 1108   0.0000       2.075113        56.4667 
 1109   0.0000       2.075400        56.4745 
 1110   0.0000       2.076670        56.5091 
 1111   0.0000       2.078492        56.5586 
 1112   0.0000       2.079583        56.5883 
 1113   0.0000       2.080832        56.6223 
 1114   0.0000       2.084001        56.7086 
 1115   0.0000       2.084211        56.7143 
 1116   0.0000       2.085592        56.7518 
 1117   0.0000       2.088748        56.8377 
 1118   0.0000       2.090885        56.8959 
 1119   0.0000       2.092954        56.9522 
 1120   0.0000       2.096428        57.0467 
 1121   0.0000       2.098275        57.0970 
 1122   0.0000       2.099154        57.1209 
 1123   0.0000       2.101115        57.1742 
 1124   0.0000       2.103740        57.2457 
 1125   0.0000       2.105639        57.2974 
 1126   0.0000       2.107051        57.3358 
 1127   0.0000       2.107471        57.3472 
 1128   0.0000       2.111134        57.4469 
 1129   0.0000       2.112100        57.4732 
 1130   0.0000       2.113372        57.5078 
 1131   0.0000       2.115551        57.5671 
 1132   0.0000       2.118166        57.6382 
 1133   0.0000       2.118299        57.6418 
 1134   0.0000       2.120093        57.6907 
 1135   0.0000       2.121115        57.7185 
 1136   0.0000       2.126275        57.8589 
 1137   0.0000       2.127006        57.8788 
 1138   0.0000       2.129014        57.9334 
 1139   0.0000       2.129678        57.9515 
 1140   0.0000       2.131672        58.0058 
 1141   0.0000       2.134792        58.0906 
 1142   0.0000       2.136519        58.1376 
 1143   0.0000       2.137385        58.1612 
 1144   0.0000       2.141205        58.2651 
 1145   0.0000       2.143165        58.3185 
 1146   0.0000       2.144963        58.3674 
 1147   0.0000       2.146436        58.4075 
 1148   0.0000       2.147411        58.4340 
 1149   0.0000       2.149523        58.4915 
 1150   0.0000       2.150420        58.5159 
 1151   0.0000       2.153898        58.6105 
 1152   0.0000       2.154402        58.6243 
 1153   0.0000       2.155620        58.6574 
 1154   0.0000       2.157532        58.7094 
 1155   0.0000       2.158668        58.7404 
 1156   0.0000       2.161170        58.8084 
 1157   0.0000       2.161983        58.8306 
 1158   0.0000       2.163443        58.8703 
 1159   0.0000       2.164934        58.9108 
 1160   0.0000       2.166415        58.9512 
 1161   0.0000       2.169994        59.0485 
 1162   0.0000       2.171072        59.0779 
 1163   0.0000       2.172698        59.1221 
 1164   0.0000       2.175875        59.2086 
 1165   0.0000       2.176606        59.2285 
 1166   0.0000       2.179427        59.3052 
 1167   0.0000       2.182081        59.3774 
 1168   0.0000       2.184223        59.4357 
 1169   0.0000       2.186348        59.4936 
 1170   0.0000       2.187626        59.5283 
 1171   0.0000       2.188686        59.5572 
 1172   0.0000       2.190196        59.5983 
 1173   0.0000       2.191399        59.6310 
 1174   0.0000       2.192803        59.6692 
 1175   0.0000       2.196704        59.7754 
 1176   0.0000       2.198448        59.8228 
 1177   0.0000       2.199873        59.8616 
 1178   0.0000       2.201571        59.9078 
 1179   0.0000       2.201927        59.9175 
 1180   0.0000       2.204809        59.9959 
 1181   0.0000       2.206446        60.0404 
 1182   0.0000       2.206965        60.0546 
 1183   0.0000       2.208508        60.0966 
 1184   0.0000       2.210435        60.1490 
 1185   0.0000       2.212458        60.2040 
 1186   0.0000       2.216230        60.3067 
 1187   0.0000       2.217244        60.3343 
 1188   0.0000       2.220083        60.4115 
 1189   0.0000       2.220616        60.4260 
 1190   0.0000       2.221665        60.4546 
 1191   0.0000       2.223661        60.5089 
 1192   0.0000       2.226106        60.5754 
 1193   0.0000       2.228333        60.6360 
 1194   0.0000       2.229639        60.6716 
 1195   0.0000       2.231130        60.7121 
 1196   0.0000       2.233455        60.7754 
 1197   0.0000       2.234878        60.8141 
 1198   0.0000       2.236946        60.8704 
 1199   0.0000       2.238540        60.9138 
 1200   0.0000       2.240424        60.9650 
 1201   0.0000       2.240597        60.9697 
 1202   0.0000       2.245352        61.0991 
 1203   0.0000       2.249552        61.2134 
 1204   0.0000       2.250223        61.2317 
 1205   0.0000       2.253892        61.3315 
 1206   0.0000       2.255204        61.3672 
 1207   0.0000       2.255383        61.3721 
 1208   0.0000       2.258885        61.4674 
 1209   0.0000       2.260577        61.5134 
 1210   0.0000       2.263112        61.5824 
 1211   0.0000       2.265412        61.6450 
 1212   0.0000       2.266950        61.6868 
 1213   0.0000       2.269010        61.7429 
 1214   0.0000       2.271237        61.8035 
 1215   0.0000       2.273473        61.8643 
 1216   0.0000       2.276124        61.9365 
 1217   0.0000       2.277359        61.9701 
 1218   0.0000       2.279739        62.0349 
 1219   0.0000       2.280875        62.0658 
 1220   0.0000       2.282350        62.1059 
 1221   0.0000       2.284277        62.1584 
 1222   0.0000       2.286912        62.2300 
 1223   0.0000       2.287560        62.2477 
 1224   0.0000       2.290834        62.3368 
 1225   0.0000       2.293237        62.4022 
 1226   0.0000       2.294328        62.4318 
 1227   0.0000       2.296941        62.5029 
 1228   0.0000       2.298826        62.5542 
 1229   0.0000       2.300145        62.5901 
 1230   0.0000       2.303772        62.6888 
 1231   0.0000       2.304525        62.7093 
 1232   0.0000       2.306859        62.7728 
 1233   0.0000       2.307973        62.8031 
 1234   0.0000       2.310957        62.8843 
 1235   0.0000       2.311773        62.9065 
 1236   0.0000       2.316816        63.0438 
 1237   0.0000       2.320598        63.1467 
 1238   0.0000       2.323663        63.2301 
 1239   0.0000       2.326474        63.3066 
 1240   0.0000       2.330051        63.4039 
 1241   0.0000       2.333443        63.4962 
 1242   0.0000       2.334291        63.5193 
 1243   0.0000       2.336546        63.5806 
 1244   0.0000       2.338986        63.6470 
 1245   0.0000       2.341472        63.7147 
 1246   0.0000       2.345995        63.8378 
 1247   0.0000       2.346951        63.8638 
 1248   0.0000       2.349898        63.9440 
 1249   0.0000       2.350289        63.9546 
 1250   0.0000       2.352745        64.0215 
 1251   0.0000       2.356565        64.1254 
 1252   0.0000       2.361571        64.2616 
 1253   0.0000       2.364219        64.3337 
 1254   0.0000       2.368276        64.4441 
 1255   0.0000       2.369614        64.4805 
 1256   0.0000       2.372662        64.5634 
 1257   0.0000       2.376130        64.6578 
 1258   0.0000       2.377688        64.7002 
 1259   0.0000       2.382866        64.8411 
 1260   0.0000       2.383047        64.8460 
 1261   0.0000       2.385371        64.9093 
 1262   0.0000       2.389859        65.0314 
 1263   0.0000       2.393691        65.1356 
 1264   0.0000       2.394977        65.1706 
 1265   0.0000       2.397062        65.2274 
 1266   0.0000       2.400969        65.3337 
 1267   0.0000       2.403431        65.4007 
 1268   0.0000       2.405153        65.4475 
 1269   0.0000       2.406903        65.4952 
 1270   0.0000       2.410703        65.5986 
 1271   0.0000       2.412795        65.6555 
 1272   0.0000       2.414209        65.6940 
 1273   0.0000       2.417348        65.7794 
 1274   0.0000       2.421266        65.8860 
 1275   0.0000       2.423730        65.9530 
 1276   0.0000       2.425821        66.0099 
 1277   0.0000       2.430260        66.1307 
 1278   0.0000       2.432658        66.1960 
 1279   0.0000       2.434668        66.2507 
 1280   0.0000       2.435447        66.2719 
 1281   0.0000       2.438364        66.3513 
 1282   0.0000       2.441128        66.4265 
 1283   0.0000       2.443359        66.4872 
 1284   0.0000       2.448044        66.6147 
 1285   0.0000       2.449994        66.6677 
 1286   0.0000       2.455160        66.8083 
 1287   0.0000       2.458462        66.8981 
 1288   0.0000       2.461175        66.9720 
 1289   0.0000       2.462950        67.0203 
 1290   0.0000       2.464562        67.0641 
 1291   0.0000       2.465543        67.0908 
 1292   0.0000       2.469683        67.2035 
 1293   0.0000       2.472951        67.2924 
 1294   0.0000       2.475270        67.3555 
 1295   0.0000       2.480514        67.4982 
 1296   0.0000       2.484894        67.6174 
 1297   0.0000       2.487583        67.6906 
 1298   0.0000       2.492625        67.8278 
 1299   0.0000       2.496040        67.9207 
 1300   0.0000       2.499361        68.0111 
 1301   0.0000       2.501290        68.0636 
 1302   0.0000       2.505600        68.1808 
 1303   0.0000       2.510764        68.3214 
 1304   0.0000       2.513571        68.3977 
 1305   0.0000       2.515481        68.4497 
 1306   0.0000       2.521899        68.6244 
 1307   0.0000       2.522804        68.6490 
 1308   0.0000       2.527813        68.7853 
 1309   0.0000       2.529635        68.8349 
 1310   0.0000       2.532011        68.8995 
 1311   0.0000       2.535017        68.9813 
 1312   0.0000       2.539792        69.1113 
 1313   0.0000       2.545907        69.2776 
 1314   0.0000       2.548961        69.3608 
 1315   0.0000       2.551905        69.4409 
 1316   0.0000       2.554714        69.5173 
 1317   0.0000       2.556782        69.5736 
 1318   0.0000       2.561512        69.7023 
 1319   0.0000       2.562747        69.7359 
 1320   0.0000       2.569336        69.9152 
 1321   0.0000       2.573327        70.0238 
 1322   0.0000       2.577919        70.1487 
 1323   0.0000       2.582025        70.2605 
 1324   0.0000       2.588526        70.4374 
 1325   0.0000       2.589363        70.4601 
 1326   0.0000       2.592702        70.5510 
 1327   0.0000       2.593807        70.5811 
 1328   0.0000       2.600189        70.7547 
 1329   0.0000       2.604130        70.8620 
 1330   0.0000       2.609176        70.9993 
 1331   0.0000       2.612266        71.0834 
 1332   0.0000       2.616226        71.1911 
 1333   0.0000       2.624810        71.4247 
 1334   0.0000       2.627252        71.4912 
 1335   0.0000       2.629747        71.5591 
 1336   0.0000       2.635737        71.7220 
 1337   0.0000       2.636911        71.7540 
 1338   0.0000       2.643371        71.9298 
 1339   0.0000       2.647741        72.0487 
 1340   0.0000       2.653022        72.1924 
 1341   0.0000       2.656346        72.2829 
 1342   0.0000       2.660978        72.4089 
 1343   0.0000       2.669251        72.6340 
 1344   0.0000       2.676445        72.8298 
 1345   0.0000       2.679849        72.9224 
 1346   0.0000       2.682636        72.9982 
 1347   0.0000       2.690593        73.2148 
 1348   0.0000       2.692478        73.2661 
 1349   0.0000       2.694427        73.3191 
 1350   0.0000       2.703768        73.5733 
 1351   0.0000       2.709789        73.7371 
 1352   0.0000       2.714364        73.8616 
 1353   0.0000       2.718891        73.9848 
 1354   0.0000       2.723444        74.1087 
 1355   0.0000       2.731821        74.3366 
 1356   0.0000       2.734166        74.4004 
 1357   0.0000       2.737534        74.4921 
 1358   0.0000       2.739230        74.5382 
 1359   0.0000       2.745417        74.7066 
 1360   0.0000       2.752488        74.8990 
 1361   0.0000       2.754077        74.9422 
 1362   0.0000       2.770501        75.3892 
 1363   0.0000       2.775847        75.5346 
 1364   0.0000       2.786063        75.8126 
 1365   0.0000       2.793530        76.0158 
 1366   0.0000       2.797045        76.1115 
 1367   0.0000       2.806450        76.3674 
 1368   0.0000       2.813374        76.5558 
 1369   0.0000       2.817349        76.6640 
 1370   0.0000       2.823468        76.8305 
 1371   0.0000       2.829355        76.9907 
 1372   0.0000       2.839886        77.2772 
 1373   0.0000       2.845151        77.4205 
 1374   0.0000       2.856361        77.7255 
 1375   0.0000       2.859378        77.8076 
 1376   0.0000       2.863006        77.9064 
 1377   0.0000       2.875952        78.2586 
 1378   0.0000       2.888111        78.5895 
 1379   0.0000       2.894787        78.7712 
 1380   0.0000       2.900264        78.9202 
 1381   0.0000       2.918204        79.4084 
 1382   0.0000       2.924925        79.5913 
 1383   0.0000       2.925475        79.6062 
 1384   0.0000       2.930049        79.7307 
 1385   0.0000       2.962059        80.6017 
 1386   0.0000       2.971568        80.8605 
 1387   0.0000       2.989444        81.3469 
 1388   0.0000       2.996249        81.5321 
 1389   0.0000       3.023463        82.2726 
 1390   0.0000       3.041735        82.7698 
 1391   0.0000       3.071325        83.5750 
 1392   0.0000       3.087718        84.0211 
 1393   0.0000       3.096763        84.2672 
 1394   0.0000       3.108993        84.6000 
 1395   0.0000       3.131360        85.2086 
 1396   0.0000       3.136534        85.3494 
 1397   0.0000       3.147231        85.6405 
 1398   0.0000       3.152763        85.7911 
 1399   0.0000       3.165565        86.1394 
 1400   0.0000       3.175400        86.4070 
 1401   0.0000       3.186945        86.7212 
 1402   0.0000       3.195273        86.9478 
 1403   0.0000       3.202468        87.1436 
 1404   0.0000       3.216436        87.5237 
 1405   0.0000       3.218656        87.5841 
 1406   0.0000       3.228949        87.8642 
 1407   0.0000       3.233947        88.0002 
 1408   0.0000       3.239747        88.1580 
 1409   0.0000       3.244398        88.2846 
 1410   0.0000       3.251901        88.4887 
 1411   0.0000       3.252806        88.5134 
 1412   0.0000       3.255196        88.5784 
 1413   0.0000       3.258397        88.6655 
 1414   0.0000       3.271037        89.0094 
 1415   0.0000       3.276282        89.1522 
 1416   0.0000       3.277902        89.1962 
 1417   0.0000       3.283465        89.3476 
 1418   0.0000       3.289257        89.5052 
 1419   0.0000       3.292334        89.5890 
 1420   0.0000       3.297864        89.7394 
 1421   0.0000       3.298102        89.7459 
 1422   0.0000       3.303554        89.8943 
 1423   0.0000       3.308232        90.0216 
 1424   0.0000       3.310486        90.0829 
 1425   0.0000       3.312022        90.1247 
 1426   0.0000       3.326956        90.5311 
 1427   0.0000       3.328807        90.5814 
 1428   0.0000       3.329939        90.6123 
 1429   0.0000       3.335302        90.7582 
 1430   0.0000       3.337984        90.8312 
 1431   0.0000       3.339857        90.8821 
 1432   0.0000       3.343821        90.9900 
 1433   0.0000       3.347351        91.0861 
 1434   0.0000       3.352638        91.2299 
 1435   0.0000       3.353841        91.2626 
 1436   0.0000       3.358731        91.3957 
 1437   0.0000       3.361446        91.4696 
 1438   0.0000       3.371439        91.7415 
 1439   0.0000       3.373018        91.7845 
 1440   0.0000       3.378190        91.9252 
 1441   0.0000       3.381603        92.0181 
 1442   0.0000       3.383895        92.0805 
 1443   0.0000       3.385566        92.1259 
 1444   0.0000       3.391405        92.2848 
 1445   0.0000       3.393684        92.3468 
 1446   0.0000       3.395115        92.3858 
 1447   0.0000       3.398267        92.4715 
 1448   0.0000       3.399304        92.4998 
 1449   0.0000       3.405148        92.6588 
 1450   0.0000       3.407821        92.7315 
 1451   0.0000       3.410445        92.8029 
 1452   0.0000       3.414543        92.9144 
 1453   0.0000       3.416137        92.9578 
 1454   0.0000       3.419546        93.0506 
 1455   0.0000       3.425417        93.2103 
 1456   0.0000       3.428584        93.2965 
 1457   0.0000       3.430863        93.3585 
 1458   0.0000       3.433767        93.4376 
 1459   0.0000       3.435815        93.4933 
 1460   0.0000       3.436788        93.5198 
 1461   0.0000       3.441185        93.6394 
 1462   0.0000       3.443790        93.7103 
 1463   0.0000       3.448248        93.8316 
 1464   0.0000       3.449079        93.8542 
 1465   0.0000       3.451123        93.9098 
 1466   0.0000       3.453831        93.9835 
 1467   0.0000       3.456734        94.0625 
 1468   0.0000       3.459326        94.1331 
 1469   0.0000       3.461645        94.1961 
 1470   0.0000       3.465558        94.3026 
 1471   0.0000       3.465902        94.3120 
 1472   0.0000       3.469421        94.4078 
 1473   0.0000       3.474461        94.5449 
 1474   0.0000       3.475923        94.5847 
 1475   0.0000       3.481215        94.7287 
 1476   0.0000       3.483884        94.8013 
 1477   0.0000       3.485653        94.8494 
 1478   0.0000       3.492127        95.0256 
 1479   0.0000       3.495018        95.1043 
 1480   0.0000       3.497450        95.1704 
 1481   0.0000       3.506367        95.4131 
 1482   0.0000       3.507307        95.4387 
 1483   0.0000       3.512183        95.5714 
 1484   0.0000       3.512712        95.5857 
 1485   0.0000       3.515485        95.6612 
 1486   0.0000       3.519642        95.7743 
 1487   0.0000       3.524773        95.9140 
 1488   0.0000       3.527456        95.9870 
 1489   0.0000       3.531063        96.0851 
 1490   0.0000       3.532425        96.1222 
 1491   0.0000       3.535186        96.1973 
 1492   0.0000       3.535851        96.2154 
 1493   0.0000       3.537530        96.2611 
 1494   0.0000       3.541680        96.3740 
 1495   0.0000       3.543178        96.4148 
 1496   0.0000       3.546104        96.4944 
 1497   0.0000       3.549455        96.5856 
 1498   0.0000       3.550294        96.6084 
 1499   0.0000       3.557204        96.7964 
 1500   0.0000       3.561588        96.9157 
 1501   0.0000       3.563384        96.9646 
 1502   0.0000       3.565690        97.0274 
 1503   0.0000       3.571714        97.1913 
 1504   0.0000       3.574541        97.2682 
 1505   0.0000       3.579167        97.3941 
 1506   0.0000       3.583576        97.5141 
 1507   0.0000       3.584895        97.5500 
 1508   0.0000       3.588655        97.6523 
 1509   0.0000       3.592265        97.7505 
 1510   0.0000       3.598740        97.9267 
 1511   0.0000       3.600801        97.9828 
 1512   0.0000       3.602503        98.0291 
 1513   0.0000       3.604037        98.0708 
 1514   0.0000       3.606218        98.1302 
 1515   0.0000       3.609511        98.2198 
 1516   0.0000       3.610739        98.2532 
 1517   0.0000       3.615436        98.3810 
 1518   0.0000       3.618015        98.4512 
 1519   0.0000       3.621427        98.5441 
 1520   0.0000       3.625219        98.6472 
 1521   0.0000       3.626733        98.6884 
 1522   0.0000       3.630020        98.7779 
 1523   0.0000       3.632582        98.8476 
 1524   0.0000       3.633746        98.8793 
 1525   0.0000       3.636392        98.9513 
 1526   0.0000       3.639140        99.0260 
 1527   0.0000       3.640554        99.0645 
 1528   0.0000       3.645914        99.2104 
 1529   0.0000       3.646724        99.2324 
 1530   0.0000       3.647141        99.2437 
 1531   0.0000       3.654065        99.4322 
 1532   0.0000       3.656820        99.5071 
 1533   0.0000       3.659693        99.5853 
 1534   0.0000       3.663404        99.6863 
 1535   0.0000       3.663792        99.6969 
 1536   0.0000       3.668019        99.8119 
 1537   0.0000       3.673267        99.9547 
 1538   0.0000       3.675410       100.0130 
 1539   0.0000       3.677701       100.0753 
 1540   0.0000       3.678794       100.1051 
 1541   0.0000       3.682988       100.2192 
 1542   0.0000       3.684842       100.2697 
 1543   0.0000       3.688388       100.3661 
 1544   0.0000       3.689185       100.3878 
 1545   0.0000       3.691913       100.4621 
 1546   0.0000       3.694342       100.5282 
 1547   0.0000       3.695660       100.5640 
 1548   0.0000       3.699663       100.6729 
 1549   0.0000       3.702010       100.7368 
 1550   0.0000       3.703814       100.7859 
 1551   0.0000       3.708945       100.9255 
 1552   0.0000       3.709601       100.9434 
 1553   0.0000       3.711307       100.9898 
 1554   0.0000       3.713637       101.0532 
 1555   0.0000       3.719867       101.2227 
 1556   0.0000       3.723814       101.3301 
 1557   0.0000       3.729434       101.4831 
 1558   0.0000       3.732208       101.5585 
 1559   0.0000       3.736460       101.6742 
 1560   0.0000       3.739612       101.7600 
 1561   0.0000       3.743315       101.8608 
 1562   0.0000       3.746838       101.9567 
 1563   0.0000       3.750040       102.0438 
 1564   0.0000       3.752171       102.1018 
 1565   0.0000       3.755043       102.1799 
 1566   0.0000       3.757654       102.2510 
 1567   0.0000       3.759449       102.2998 
 1568   0.0000       3.764290       102.4315 
 1569   0.0000       3.765797       102.4726 
 1570   0.0000       3.769908       102.5844 
 1571   0.0000       3.772651       102.6591 
 1572   0.0000       3.773208       102.6742 
 1573   0.0000       3.777771       102.7984 
 1574   0.0000       3.779106       102.8347 
 1575   0.0000       3.782777       102.9346 
 1576   0.0000       3.784538       102.9825 
 1577   0.0000       3.786992       103.0493 
 1578   0.0000       3.790377       103.1414 
 1579   0.0000       3.795162       103.2716 
 1580   0.0000       3.800072       103.4052 
 1581   0.0000       3.802735       103.4777 
 1582   0.0000       3.806314       103.5751 
 1583   0.0000       3.808545       103.6358 
 1584   0.0000       3.809886       103.6723 
 1585   0.0000       3.813033       103.7579 
 1586   0.0000       3.818695       103.9120 
 1587   0.0000       3.822168       104.0065 
 1588   0.0000       3.823502       104.0428 
 1589   0.0000       3.825571       104.0991 
 1590   0.0000       3.830857       104.2429 
 1591   0.0000       3.832460       104.2866 
 1592   0.0000       3.838947       104.4631 
 1593   0.0000       3.842574       104.5617 
 1594   0.0000       3.845312       104.6363 
 1595   0.0000       3.846150       104.6591 
 1596   0.0000       3.847590       104.6983 
 1597   0.0000       3.852837       104.8410 
 1598   0.0000       3.854061       104.8743 
 1599   0.0000       3.857453       104.9666 
 1600   0.0000       3.857876       104.9782 
 1601   0.0000       3.860707       105.0552 
 1602   0.0000       3.861705       105.0823 
 1603   0.0000       3.864832       105.1674 
 1604   0.0000       3.865505       105.1857 
 1605   0.0000       3.870503       105.3217 
 1606   0.0000       3.871501       105.3489 
 1607   0.0000       3.872661       105.3805 
 1608   0.0000       3.876653       105.4891 
 1609   0.0000       3.877752       105.5190 
 1610   0.0000       3.880729       105.6000 
 1611   0.0000       3.883756       105.6824 
 1612   0.0000       3.885909       105.7410 
 1613   0.0000       3.888204       105.8034 
 1614   0.0000       3.888816       105.8201 
 1615   0.0000       3.893219       105.9399 
 1616   0.0000       3.896678       106.0340 
 1617   0.0000       3.898264       106.0772 
 1618   0.0000       3.900834       106.1471 
 1619   0.0000       3.902166       106.1833 
 1620   0.0000       3.904677       106.2517 
 1621   0.0000       3.906445       106.2998 
 1622   0.0000       3.908884       106.3661 
 1623   0.0000       3.911014       106.4241 
 1624   0.0000       3.913663       106.4962 
 1625   0.0000       3.915273       106.5400 
 1626   0.0000       3.917144       106.5909 
 1627   0.0000       3.919797       106.6631 
 1628   0.0000       3.921109       106.6988 
 1629   0.0000       3.922171       106.7277 
 1630   0.0000       3.926794       106.8535 
 1631   0.0000       3.927788       106.8805 
 1632   0.0000       3.928639       106.9037 
 1633   0.0000       3.932450       107.0074 
 1634   0.0000       3.934630       107.0667 
 1635   0.0000       3.937708       107.1505 
 1636   0.0000       3.939686       107.2043 
 1637   0.0000       3.943616       107.3112 
 1638   0.0000       3.944518       107.3358 
 1639   0.0000       3.946961       107.4023 
 1640   0.0000       3.950986       107.5118 
 1641   0.0000       3.951778       107.5333 
 1642   0.0000       3.954990       107.6207 
 1643   0.0000       3.956563       107.6635 
 1644   0.0000       3.957717       107.6949 
 1645   0.0000       3.959613       107.7466 
 1646   0.0000       3.962159       107.8158 
 1647   0.0000       3.964472       107.8788 
 1648   0.0000       3.965665       107.9112 
 1649   0.0000       3.967419       107.9589 
 1650   0.0000       3.969504       108.0157 
 1651   0.0000       3.969886       108.0261 
 1652   0.0000       3.974774       108.1591 
 1653   0.0000       3.977044       108.2209 
 1654   0.0000       3.979369       108.2841 
 1655   0.0000       3.981392       108.3392 
 1656   0.0000       3.981586       108.3445 
 1657   0.0000       3.983974       108.4094 
 1658   0.0000       3.984860       108.4335 
 1659   0.0000       3.987803       108.5136 
 1660   0.0000       3.988815       108.5412 
 1661   0.0000       3.990222       108.5795 
 1662   0.0000       3.991645       108.6182 
 1663   0.0000       3.993192       108.6603 
 1664   0.0000       3.996835       108.7594 
 1665   0.0000       3.998699       108.8101 
 1666   0.0000       4.001285       108.8805 
 1667   0.0000       4.001900       108.8972 
 1668   0.0000       4.004459       108.9669 
 1669   0.0000       4.007735       109.0560 
 1670   0.0000       4.008663       109.0813 
 1671   0.0000       4.009882       109.1144 
 1672   0.0000       4.011220       109.1509 
 1673   0.0000       4.014118       109.2297 
 1674   0.0000       4.016888       109.3051 
 1675   0.0000       4.018879       109.3593 
 1676   0.0000       4.020509       109.4036 
 1677   0.0000       4.021731       109.4369 
 1678   0.0000       4.024193       109.5038 
 1679   0.0000       4.026806       109.5750 
 1680   0.0000       4.027061       109.5819 
 1681   0.0000       4.028806       109.6294 
 1682   0.0000       4.029217       109.6406 
 1683   0.0000       4.034613       109.7874 
 1684   0.0000       4.035426       109.8095 
 1685   0.0000       4.036722       109.8448 
 1686   0.0000       4.039023       109.9074 
 1687   0.0000       4.040660       109.9519 
 1688   0.0000       4.043061       110.0173 
 1689   0.0000       4.043846       110.0386 
 1690   0.0000       4.048344       110.1610 
 1691   0.0000       4.049086       110.1812 
 1692   0.0000       4.050370       110.2162 
 1693   0.0000       4.054091       110.3174 
 1694   0.0000       4.055015       110.3426 
 1695   0.0000       4.057304       110.4048 
 1696   0.0000       4.060678       110.4967 
 1697   0.0000       4.061479       110.5185 
 1698   0.0000       4.064762       110.6078 
 1699   0.0000       4.068768       110.7168 
 1700   0.0000       4.073081       110.8342 
 1701   0.0000       4.073862       110.8554 
 1702   0.0000       4.077462       110.9534 
 1703   0.0000       4.078465       110.9807 
 1704   0.0000       4.079922       111.0203 
 1705   0.0000       4.083398       111.1149 
 1706   0.0000       4.086051       111.1871 
 1707   0.0000       4.086201       111.1912 
 1708   0.0000       4.091060       111.3234 
 1709   0.0000       4.092887       111.3731 
 1710   0.0000       4.095038       111.4317 
 1711   0.0000       4.098160       111.5166 
 1712   0.0000       4.100976       111.5932 
 1713   0.0000       4.102571       111.6366 
 1714   0.0000       4.104801       111.6973 
 1715   0.0000       4.107459       111.7696 
 1716   0.0000       4.109225       111.8177 
 1717   0.0000       4.113800       111.9422 
 1718   0.0000       4.117164       112.0337 
 1719   0.0000       4.118853       112.0797 
 1720   0.0000       4.124278       112.2273 
 1721   0.0000       4.125944       112.2726 
 1722   0.0000       4.127102       112.3041 
 1723   0.0000       4.129367       112.3658 
 1724   0.0000       4.132039       112.4385 
 1725   0.0000       4.135438       112.5310 
 1726   0.0000       4.136979       112.5729 
 1727   0.0000       4.138099       112.6034 
 1728   0.0000       4.139963       112.6541 
 1729   0.0000       4.143457       112.7492 
 1730   0.0000       4.147340       112.8549 
 1731   0.0000       4.149601       112.9164 
 1732   0.0000       4.153742       113.0291 
 1733   0.0000       4.155106       113.0662 
 1734   0.0000       4.158700       113.1640 
 1735   0.0000       4.160031       113.2002 
 1736   0.0000       4.162133       113.2574 
 1737   0.0000       4.163600       113.2973 
 1738   0.0000       4.165185       113.3404 
 1739   0.0000       4.169938       113.4698 
 1740   0.0000       4.172099       113.5286 
 1741   0.0000       4.173865       113.5766 
 1742   0.0000       4.175774       113.6286 
 1743   0.0000       4.179316       113.7250 
 1744   0.0000       4.183578       113.8409 
 1745   0.0000       4.185450       113.8919 
 1746   0.0000       4.188045       113.9625 
 1747   0.0000       4.191797       114.0646 
 1748   0.0000       4.194032       114.1254 
 1749   0.0000       4.196066       114.1808 
 1750   0.0000       4.199447       114.2728 
 1751   0.0000       4.202544       114.3570 
 1752   0.0000       4.202763       114.3630 
 1753   0.0000       4.205933       114.4493 
 1754   0.0000       4.208891       114.5298 
 1755   0.0000       4.208918       114.5305 
 1756   0.0000       4.213936       114.6670 
 1757   0.0000       4.214808       114.6908 
 1758   0.0000       4.222251       114.8933 
 1759   0.0000       4.224331       114.9499 
 1760   0.0000       4.227783       115.0438 
 1761   0.0000       4.232299       115.1667 
 1762   0.0000       4.236909       115.2922 
 1763   0.0000       4.237556       115.3098 
 1764   0.0000       4.239966       115.3753 
 1765   0.0000       4.245637       115.5297 
 1766   0.0000       4.247118       115.5699 
 1767   0.0000       4.252017       115.7033 
 1768   0.0000       4.253915       115.7549 
 1769   0.0000       4.255242       115.7910 
 1770   0.0000       4.258151       115.8702 
 1771   0.0000       4.258955       115.8921 
 1772   0.0000       4.264183       116.0343 
 1773   0.0000       4.268835       116.1609 
 1774   0.0000       4.271199       116.2252 
 1775   0.0000       4.273355       116.2839 
 1776   0.0000       4.274779       116.3226 
 1777   0.0000       4.278465       116.4230 
 1778   0.0000       4.279809       116.4595 
 1779   0.0000       4.282985       116.5459 
 1780   0.0000       4.287494       116.6686 
 1781   0.0000       4.290132       116.7404 
 1782   0.0000       4.292074       116.7933 
 1783   0.0000       4.294819       116.8680 
 1784   0.0000       4.299924       117.0069 
 1785   0.0000       4.304202       117.1233 
 1786   0.0000       4.305953       117.1709 
 1787   0.0000       4.308346       117.2361 
 1788   0.0000       4.311407       117.3194 
 1789   0.0000       4.312221       117.3415 
 1790   0.0000       4.316463       117.4569 
 1791   0.0000       4.321047       117.5817 
 1792   0.0000       4.325417       117.7006 
 1793   0.0000       4.328460       117.7834 
 1794   0.0000       4.330425       117.8369 
 1795   0.0000       4.335765       117.9822 
 1796   0.0000       4.340776       118.1185 
 1797   0.0000       4.344882       118.2303 
 1798   0.0000       4.347137       118.2916 
 1799   0.0000       4.352049       118.4253 
 1800   0.0000       4.354659       118.4963 
 1801   0.0000       4.359071       118.6164 
 1802   0.0000       4.361101       118.6716 
 1803   0.0000       4.364527       118.7648 
 1804   0.0000       4.364773       118.7715 
 1805   0.0000       4.368893       118.8836 
 1806   0.0000       4.373805       119.0173 
 1807   0.0000       4.375549       119.0647 
 1808   0.0000       4.380223       119.1919 
 1809   0.0000       4.384784       119.3160 
 1810   0.0000       4.390924       119.4831 
 1811   0.0000       4.391952       119.5111 
 1812   0.0000       4.395916       119.6190 
 1813   0.0000       4.404641       119.8564 
 1814   0.0000       4.405724       119.8858 
 1815   0.0000       4.411310       120.0379 
 1816   0.0000       4.416962       120.1917 
 1817   0.0000       4.423294       120.3640 
 1818   0.0000       4.425287       120.4182 
 1819   0.0000       4.431599       120.5899 
 1820   0.0000       4.443263       120.9073 
 1821   0.0000       4.445716       120.9741 
 1822   0.0000       4.448114       121.0393 
 1823   0.0000       4.455812       121.2488 
 1824   0.0000       4.458137       121.3121 
 1825   0.0000       4.461546       121.4048 
 1826   0.0000       4.467328       121.5622 
 1827   0.0000       4.471736       121.6821 
 1828   0.0000       4.473403       121.7275 
 1829   0.0000       4.481888       121.9584 
 1830   0.0000       4.488686       122.1434 
 1831   0.0000       4.490003       122.1792 
 1832   0.0000       4.498452       122.4091 
 1833   0.0000       4.507983       122.6685 
 1834   0.0000       4.514391       122.8428 
 1835   0.0000       4.519588       122.9842 
 1836   0.0000       4.522574       123.0655 
 1837   0.0000       4.529769       123.2613 
 1838   0.0000       4.542424       123.6056 
 1839   0.0000       4.549019       123.7851 
 1840   0.0000       4.558497       124.0430 
 1841   0.0000       4.559241       124.0633 
 1842   0.0000       4.560078       124.0860 
 1843   0.0000       4.563880       124.1895 
 1844   0.0000       4.568717       124.3211 
 1845   0.0000       4.574608       124.4814 
 1846   0.0000       4.582832       124.7052 
 1847   0.0000       4.589672       124.8913 
 1848   0.0000       4.590509       124.9141 
 1849   0.0000       4.596219       125.0695 
 1850   0.0000       4.604129       125.2847 
 1851   0.0000       4.614565       125.5687 
 1852   0.0000       4.616699       125.6268 
 1853   0.0000       4.622645       125.7886 
 1854   0.0000       4.630557       126.0039 
 1855   0.0000       4.636155       126.1562 
 1856   0.0000       4.637038       126.1802 
 1857   0.0000       4.641072       126.2900 
 1858   0.0000       4.647506       126.4651 
 1859   0.0000       4.654476       126.6547 
 1860   0.0000       4.660001       126.8051 
 1861   0.0000       4.665082       126.9433 
 1862   0.0000       4.669026       127.0507 
 1863   0.0000       4.669859       127.0733 
 1864   0.0000       4.674323       127.1948 
 1865   0.0000       4.678364       127.3048 
 1866   0.0000       4.680662       127.3673 
 1867   0.0000       4.686046       127.5138 
 1868   0.0000       4.686600       127.5289 
 1869   0.0000       4.689061       127.5958 
 1870   0.0000       4.691826       127.6711 
 1871   0.0000       4.694761       127.7509 
 1872   0.0000       4.695403       127.7684 
 1873   0.0000       4.698133       127.8427 
 1874   0.0000       4.701388       127.9313 
 1875   0.0000       4.703120       127.9784 
 1876   0.0000       4.705817       128.0518 
 1877   0.0000       4.708675       128.1296 
 1878   0.0000       4.714057       128.2760 
 1879   0.0000       4.715797       128.3233 
 1880   0.0000       4.720164       128.4422 
 1881   0.0000       4.722240       128.4987 
 1882   0.0000       4.725612       128.5904 
 1883   0.0000       4.728940       128.6810 
 1884   0.0000       4.731331       128.7461 
 1885   0.0000       4.733597       128.8077 
 1886   0.0000       4.735419       128.8573 
 1887   0.0000       4.736957       128.8991 
 1888   0.0000       4.739498       128.9683 
 1889   0.0000       4.742619       129.0532 
 1890   0.0000       4.747064       129.1742 
 1891   0.0000       4.750563       129.2694 
 1892   0.0000       4.756830       129.4399 
 1893   0.0000       4.760182       129.5311 
 1894   0.0000       4.761183       129.5584 
 1895   0.0000       4.764219       129.6410 
 1896   0.0000       4.765450       129.6745 
 1897   0.0000       4.767931       129.7420 
 1898   0.0000       4.770676       129.8167 
 1899   0.0000       4.772980       129.8794 
 1900   0.0000       4.778418       130.0274 
 1901   0.0000       4.779710       130.0625 
 1902   0.0000       4.781463       130.1102 
 1903   0.0000       4.783025       130.1527 
 1904   0.0000       4.787030       130.2617 
 1905   0.0000       4.789331       130.3243 
 1906   0.0000       4.792446       130.4091 
 1907   0.0000       4.796859       130.5292 
 1908   0.0000       4.798297       130.5683 
 1909   0.0000       4.801439       130.6538 
 1910   0.0000       4.804925       130.7487 
 1911   0.0000       4.809020       130.8601 
 1912   0.0000       4.811408       130.9251 
 1913   0.0000       4.815898       131.0472 
 1914   0.0000       4.820261       131.1660 
 1915   0.0000       4.820851       131.1820 
 1916   0.0000       4.822178       131.2181 
 1917   0.0000       4.824867       131.2913 
 1918   0.0000       4.826992       131.3491 
 1919   0.0000       4.829319       131.4124 
 1920   0.0000       4.831533       131.4727 
 1921   0.0000       4.834725       131.5596 
 1922   0.0000       4.837022       131.6221 
 1923   0.0000       4.840185       131.7081 
 1924   0.0000       4.847457       131.9060 
 1925   0.0000       4.848786       131.9422 
 1926   0.0000       4.850173       131.9799 
 1927   0.0000       4.853474       132.0697 
 1928   0.0000       4.855197       132.1166 
 1929   0.0000       4.857558       132.1809 
 1930   0.0000       4.859619       132.2369 
 1931   0.0000       4.862352       132.3113 
 1932   0.0000       4.863981       132.3556 
 1933   0.0000       4.871455       132.5590 
 1934   0.0000       4.872768       132.5948 
 1935   0.0000       4.874261       132.6354 
 1936   0.0000       4.879116       132.7675 
 1937   0.0000       4.880496       132.8051 
 1938   0.0000       4.883894       132.8975 
 1939   0.0000       4.888818       133.0315 
 1940   0.0000       4.892529       133.1325 
 1941   0.0000       4.894731       133.1924 
 1942   0.0000       4.897196       133.2595 
 1943   0.0000       4.900508       133.3496 
 1944   0.0000       4.905255       133.4788 
 1945   0.0000       4.907882       133.5503 
 1946   0.0000       4.911940       133.6607 
 1947   0.0000       4.912657       133.6802 
 1948   0.0000       4.914391       133.7274 
 1949   0.0000       4.918645       133.8431 
 1950   0.0000       4.923752       133.9821 
 1951   0.0000       4.924980       134.0155 
 1952   0.0000       4.929632       134.1421 
 1953   0.0000       4.932460       134.2191 
 1954   0.0000       4.938209       134.3755 
 1955   0.0000       4.939576       134.4127 
 1956   0.0000       4.947827       134.6372 
 1957   0.0000       4.949738       134.6892 
 1958   0.0000       4.954310       134.8136 
 1959   0.0000       4.956335       134.8687 
 1960   0.0000       4.959966       134.9675 
 1961   0.0000       4.961936       135.0212 
 1962   0.0000       4.967891       135.1832 
 1963   0.0000       4.968289       135.1940 
 1964   0.0000       4.976543       135.4186 
 1965   0.0000       4.979430       135.4972 
 1966   0.0000       4.983131       135.5979 
 1967   0.0000       4.985235       135.6551 
 1968   0.0000       4.988793       135.7520 
 1969   0.0000       4.991652       135.8298 
 1970   0.0000       4.991943       135.8377 
 1971   0.0000       5.000372       136.0670 
 1972   0.0000       5.002608       136.1279 
 1973   0.0000       5.004936       136.1912 
 1974   0.0000       5.010864       136.3525 
 1975   0.0000       5.013055       136.4122 
 1976   0.0000       5.017058       136.5211 
 1977   0.0000       5.023378       136.6931 
 1978   0.0000       5.023895       136.7071 
 1979   0.0000       5.031028       136.9012 
 1980   0.0000       5.033459       136.9674 
 1981   0.0000       5.036997       137.0636 
 1982   0.0000       5.042610       137.2164 
 1983   0.0000       5.044027       137.2550 
 1984   0.0000       5.049995       137.4173 
 1985   0.0000       5.051068       137.4465 
 1986   0.0000       5.053816       137.5213 
 1987   0.0000       5.057870       137.6317 
 1988   0.0000       5.059477       137.6754 
 1989   0.0000       5.064715       137.8179 
 1990   0.0000       5.065712       137.8450 
 1991   0.0000       5.070200       137.9672 
 1992   0.0000       5.076877       138.1488 
 1993   0.0000       5.080213       138.2396 
 1994   0.0000       5.080403       138.2448 
 1995   0.0000       5.082260       138.2953 
 1996   0.0000       5.084107       138.3456 
 1997   0.0000       5.089348       138.4882 
 1998   0.0000       5.093884       138.6116 
 1999   0.0000       5.094066       138.6166 
 2000   0.0000       5.102323       138.8413 
 2001   0.0000       5.107012       138.9689 
 2002   0.0000       5.110839       139.0730 
 2003   0.0000       5.113471       139.1446 
 2004   0.0000       5.119584       139.3110 
 2005   0.0000       5.121458       139.3620 
 2006   0.0000       5.129190       139.5724 
 2007   0.0000       5.135853       139.7537 
 2008   0.0000       5.137739       139.8050 
 2009   0.0000       5.143753       139.9686 
 2010   0.0000       5.145753       140.0231 
 2011   0.0000       5.154264       140.2547 
 2012   0.0000       5.159699       140.4025 
 2013   0.0000       5.162472       140.4780 
 2014   0.0000       5.167400       140.6121 
 2015   0.0000       5.171633       140.7273 
 2016   0.0000       5.174608       140.8082 
 2017   0.0000       5.177976       140.8999 
 2018   0.0000       5.182411       141.0206 
 2019   0.0000       5.190624       141.2441 
 2020   0.0000       5.197135       141.4212 
 2021   0.0000       5.199495       141.4855 
 2022   0.0000       5.208767       141.7378 
 2023   0.0000       5.216708       141.9538 
 2024   0.0000       5.221801       142.0924 
 2025   0.0000       5.228200       142.2666 
 2026   0.0000       5.229262       142.2955 
 2027   0.0000       5.236848       142.5019 
 2028   0.0000       5.251067       142.8888 
 2029   0.0000       5.252761       142.9349 
 2030   0.0000       5.260844       143.1548 
 2031   0.0000       5.266188       143.3003 
 2032   0.0000       5.268907       143.3743 
 2033   0.0000       5.279764       143.6697 
 2034   0.0000       5.282657       143.7484 
 2035   0.0000       5.288153       143.8980 
 2036   0.0000       5.291331       143.9844 
 2037   0.0000       5.292762       144.0234 
 2038   0.0000       5.304968       144.3555 
 2039   0.0000       5.310534       144.5070 
 2040   0.0000       5.314390       144.6119 
 2041   0.0000       5.325287       144.9084 
 2042   0.0000       5.336233       145.2063 
 2043   0.0000       5.339659       145.2995 
 2044   0.0000       5.340483       145.3219 
 2045   0.0000       5.347535       145.5138 
 2046   0.0000       5.360573       145.8686 
 2047   0.0000       5.370450       146.1374 
 2048   0.0000       5.372606       146.1960 
 2049   0.0000       5.390423       146.6809 
 2050   0.0000       5.397040       146.8609 
 2051   0.0000       5.408111       147.1622 
 2052   0.0000       5.413291       147.3031 
 2053   0.0000       5.422696       147.5591 
 2054   0.0000       5.425826       147.6442 
 2055   0.0000       5.439393       148.0134 
 2056   0.0000       5.441027       148.0579 
 2057   0.0000       5.446076       148.1953 
 2058   0.0000       5.464139       148.6868 
 2059   0.0000       5.465917       148.7352 
 2060   0.0000       5.477973       149.0632 
 2061   0.0000       5.492837       149.4677 
 2062   0.0000       5.498577       149.6239 
 2063   0.0000       5.507285       149.8608 
 2064   0.0000       5.524713       150.3351 
 2065   0.0000       5.529277       150.4593 
 2066   0.0000       5.537969       150.6958 
 2067   0.0000       5.544713       150.8793 
 2068   0.0000       5.554140       151.1358 
 2069   0.0000       5.560697       151.3143 
 2070   0.0000       5.566734       151.4785 
 2071   0.0000       5.574266       151.6835 
 2072   0.0000       5.584275       151.9558 
 2073   0.0000       5.596198       152.2803 
 2074   0.0000       5.603454       152.4777 
 2075   0.0000       5.617052       152.8478 
 2076   0.0000       5.617891       152.8706 
 2077   0.0000       5.641318       153.5081 
 2078   0.0000       5.643705       153.5730 
 2079   0.0000       5.662903       154.0954 
 2080   0.0000       5.670755       154.3091 
 2081   0.0000       5.672955       154.3689 
 2082   0.0000       5.684005       154.6696 
 2083   0.0000       5.692888       154.9114 
 2084   0.0000       5.706589       155.2842 
 2085   0.0000       5.708976       155.3491 
 2086   0.0000       5.710816       155.3992 
 2087   0.0000       5.730345       155.9306 
 2088   0.0000       5.745789       156.3509 
 2089   0.0000       5.755582       156.6173 
 2090   0.0000       5.758731       156.7030 
 2091   0.0000       5.771010       157.0372 
 2092   0.0000       5.777713       157.2196 
 2093   0.0000       5.781992       157.3360 
 2094   0.0000       5.789627       157.5437 
 2095   0.0000       5.797079       157.7465 
 2096   0.0000       5.803820       157.9300 
 2097   0.0000       5.811023       158.1260 
 2098   0.0000       5.816222       158.2675 
 2099   0.0000       5.828132       158.5915 
 2100   0.0000       5.832940       158.7224 
 2101   0.0000       5.844011       159.0236 
 2102   0.0000       5.848235       159.1386 
 2103   0.0000       5.854056       159.2969 
 2104   0.0000       5.868525       159.6907 
 2105   0.0000       5.870302       159.7390 
 2106   0.0000       5.893868       160.3803 
 2107   0.0000       5.901384       160.5848 
 2108   0.0000       5.902860       160.6250 
 2109   0.0000       5.928643       161.3266 
 2110   0.0000       5.931492       161.4041 
 2111   0.0000       5.941910       161.6876 
 2112   0.0000       5.954512       162.0305 
 2113   0.0000       5.962592       162.2504 
 2114   0.0000       5.976943       162.6409 
 2115   0.0000       5.982713       162.7979 
 2116   0.0000       5.993020       163.0784 
 2117   0.0000       5.993784       163.0991 
 2118   0.0000       5.994297       163.1131 
 2119   0.0000       5.998042       163.2150 
 2120   0.0000       6.004628       163.3942 
 2121   0.0000       6.009011       163.5135 
 2122   0.0000       6.011402       163.5786 
 2123   0.0000       6.015860       163.6999 
 2124   0.0000       6.017759       163.7516 
 2125   0.0000       6.020957       163.8386 
 2126   0.0000       6.027096       164.0056 
 2127   0.0000       6.027930       164.0283 
 2128   0.0000       6.032259       164.1461 
 2129   0.0000       6.034306       164.2018 
 2130   0.0000       6.036393       164.2586 
 2131   0.0000       6.038621       164.3192 
 2132   0.0000       6.046480       164.5331 
 2133   0.0000       6.049847       164.6247 
 2134   0.0000       6.055669       164.7831 
 2135   0.0000       6.060994       164.9280 
 2136   0.0000       6.065280       165.0447 
 2137   0.0000       6.068633       165.1359 
 2138   0.0000       6.071599       165.2166 
 2139   0.0000       6.077372       165.3737 
 2140   0.0000       6.081622       165.4893 
 2141   0.0000       6.083683       165.5454 
 2142   0.0000       6.088180       165.6678 
 2143   0.0000       6.094304       165.8344 
 2144   0.0000       6.098727       165.9548 
 2145   0.0000       6.103956       166.0971 
 2146   0.0000       6.105749       166.1459 
 2147   0.0000       6.107769       166.2008 
 2148   0.0000       6.112555       166.3311 
 2149   0.0000       6.116479       166.4378 
 2150   0.0000       6.123212       166.6211 
 2151   0.0000       6.125055       166.6712 
 2152   0.0000       6.131877       166.8569 
 2153   0.0000       6.141681       167.1236 
 2154   0.0000       6.143429       167.1712 
 2155   0.0000       6.147080       167.2705 
 2156   0.0000       6.162798       167.6983 
 2157   0.0000       6.169925       167.8922 
 2158   0.0000       6.179814       168.1613 
 2159   0.0000       6.181774       168.2146 
 2160   0.0000       6.184260       168.2823 
 2161   0.0000       6.186568       168.3451 
 2162   0.0000       6.194589       168.5633 
 2163   0.0000       6.202849       168.7881 
 2164   0.0000       6.205234       168.8530 
 2165   0.0000       6.219374       169.2378 
 2166   0.0000       6.223065       169.3382 
 2167   0.0000       6.226246       169.4248 
 2168   0.0000       6.230000       169.5269 
 2169   0.0000       6.234980       169.6624 
 2170   0.0000       6.240839       169.8219 
 2171   0.0000       6.244314       169.9164 
 2172   0.0000       6.248160       170.0211 
 2173   0.0000       6.252576       170.1412 
 2174   0.0000       6.255424       170.2187 
 2175   0.0000       6.263268       170.4322 
 2176   0.0000       6.267248       170.5405 
 2177   0.0000       6.271636       170.6599 
 2178   0.0000       6.287386       171.0885 
 2179   0.0000       6.294791       171.2900 
 2180   0.0000       6.308550       171.6644 
 2181   0.0000       6.309463       171.6892 
 2182   0.0000       6.314720       171.8323 
 2183   0.0000       6.324556       172.0999 
 2184   0.0000       6.325455       172.1244 
 2185   0.0000       6.332843       172.3254 
 2186   0.0000       6.344305       172.6373 
 2187   0.0000       6.351425       172.8311 
 2188   0.0000       6.356184       172.9606 
 2189   0.0000       6.364400       173.1841 
 2190   0.0000       6.366188       173.2328 
 2191   0.0000       6.373326       173.4270 
 2192   0.0000       6.379754       173.6019 
 2193   0.0000       6.381350       173.6454 
 2194   0.0000       6.391485       173.9211 
 2195   0.0000       6.400657       174.1707 
 2196   0.0000       6.411289       174.4600 
 2197   0.0000       6.413956       174.5326 
 2198   0.0000       6.423047       174.7800 
 2199   0.0000       6.434652       175.0958 
 2200   0.0000       6.442566       175.3111 
 2201   0.0000       6.445812       175.3995 
 2202   0.0000       6.454574       175.6379 
 2203   0.0000       6.455413       175.6607 
 2204   0.0000       6.470302       176.0659 
 2205   0.0000       6.480358       176.3395 
 2206   0.0000       6.484268       176.4459 
 2207   0.0000       6.484363       176.4485 
 2208   0.0000       6.499084       176.8491 
 2209   0.0000       6.512207       177.2062 
 2210   0.0000       6.517783       177.3579 
 2211   0.0000       6.519362       177.4009 
 2212   0.0000       6.522075       177.4747 
 2213   0.0000       6.528804       177.6578 
 2214   0.0000       6.531272       177.7250 
 2215   0.0000       6.537804       177.9027 
 2216   0.0000       6.539766       177.9561 
 2217   0.0000       6.542515       178.0309 
 2218   0.0000       6.545847       178.1215 
 2219   0.0000       6.546747       178.1460 
 2220   0.0000       6.548584       178.1960 
 2221   0.0000       6.551445       178.2739 
 2222   0.0000       6.553746       178.3365 
 2223   0.0000       6.559811       178.5015 
 2224   0.0000       6.562965       178.5874 
 2225   0.0000       6.569556       178.7667 
 2226   0.0000       6.570393       178.7895 
 2227   0.0000       6.573889       178.8846 
 2228   0.0000       6.576099       178.9448 
 2229   0.0000       6.580964       179.0771 
 2230   0.0000       6.584857       179.1831 
 2231   0.0000       6.585854       179.2102 
 2232   0.0000       6.592870       179.4011 
 2233   0.0000       6.595128       179.4626 
 2234   0.0000       6.597522       179.5277 
 2235   0.0000       6.599623       179.5849 
 2236   0.0000       6.602361       179.6594 
 2237   0.0000       6.603360       179.6865 
 2238   0.0000       6.605703       179.7503 
 2239   0.0000       6.607842       179.8085 
 2240   0.0000       6.608407       179.8239 
 2241   0.0000       6.611062       179.8961 
 2242   0.0000       6.613278       179.9564 
 2243   0.0000       6.616614       180.0472 
 2244   0.0000       6.619756       180.1327 
 2245   0.0000       6.620614       180.1561 
 2246   0.0000       6.623727       180.2408 
 2247   0.0000       6.624835       180.2709 
 2248   0.0000       6.627432       180.3416 
 2249   0.0000       6.628898       180.3815 
 2250   0.0000       6.631801       180.4605 
 2251   0.0000       6.634841       180.5432 
 2252   0.0000       6.637310       180.6104 
 2253   0.0000       6.638233       180.6355 
 2254   0.0000       6.641450       180.7230 
 2255   0.0000       6.643631       180.7824 
 2256   0.0000       6.644483       180.8056 
 2257   0.0000       6.646290       180.8548 
 2258   0.0000       6.648464       180.9139 
 2259   0.0000       6.650041       180.9568 
 2260   0.0000       6.654119       181.0678 
 2261   0.0000       6.655576       181.1074 
 2262   0.0000       6.657943       181.1718 
 2263   0.0000       6.659030       181.2014 
 2264   0.0000       6.662099       181.2849 
 2265   0.0000       6.663657       181.3273 
 2266   0.0000       6.665381       181.3742 
 2267   0.0000       6.668407       181.4566 
 2268   0.0000       6.671943       181.5528 
 2269   0.0000       6.673724       181.6013 
 2270   0.0000       6.674209       181.6145 
 2271   0.0000       6.676165       181.6677 
 2272   0.0000       6.679129       181.7483 
 2273   0.0000       6.679909       181.7696 
 2274   0.0000       6.683910       181.8785 
 2275   0.0000       6.686041       181.9364 
 2276   0.0000       6.686325       181.9441 
 2277   0.0000       6.687212       181.9683 
 2278   0.0000       6.689216       182.0228 
 2279   0.0000       6.691264       182.0786 
 2280   0.0000       6.693096       182.1284 
 2281   0.0000       6.695137       182.1839 
 2282   0.0000       6.697027       182.2354 
 2283   0.0000       6.701390       182.3541 
 2284   0.0000       6.701767       182.3643 
 2285   0.0000       6.703699       182.4169 
 2286   0.0000       6.706543       182.4943 
 2287   0.0000       6.707763       182.5275 
 2288   0.0000       6.710475       182.6013 
 2289   0.0000       6.712057       182.6444 
 2290   0.0000       6.714732       182.7172 
 2291   0.0000       6.716814       182.7738 
 2292   0.0000       6.719450       182.8455 
 2293   0.0000       6.719903       182.8579 
 2294   0.0000       6.722900       182.9394 
 2295   0.0000       6.724393       182.9800 
 2296   0.0000       6.727762       183.0717 
 2297   0.0000       6.728321       183.0869 
 2298   0.0000       6.729258       183.1124 
 2299   0.0000       6.731994       183.1869 
 2300   0.0000       6.734440       183.2534 
 2301   0.0000       6.737462       183.3357 
 2302   0.0000       6.739198       183.3829 
 2303   0.0000       6.740700       183.4238 
 2304   0.0000       6.744292       183.5215 
 2305   0.0000       6.746846       183.5910 
 2306   0.0000       6.748053       183.6239 
 2307   0.0000       6.751666       183.7222 
 2308   0.0000       6.753662       183.7765 
 2309   0.0000       6.756789       183.8616 
 2310   0.0000       6.759061       183.9234 
 2311   0.0000       6.762372       184.0135 
 2312   0.0000       6.764703       184.0769 
 2313   0.0000       6.765990       184.1119 
 2314   0.0000       6.766259       184.1193 
 2315   0.0000       6.769885       184.2179 
 2316   0.0000       6.774511       184.3438 
 2317   0.0000       6.776639       184.4017 
 2318   0.0000       6.779465       184.4786 
 2319   0.0000       6.780923       184.5183 
 2320   0.0000       6.783389       184.5854 
 2321   0.0000       6.783763       184.5956 
 2322   0.0000       6.785798       184.6509 
 2323   0.0000       6.788232       184.7172 
 2324   0.0000       6.789886       184.7622 
 2325   0.0000       6.792834       184.8424 
 2326   0.0000       6.795057       184.9029 
 2327   0.0000       6.797304       184.9640 
 2328   0.0000       6.800560       185.0527 
 2329   0.0000       6.801969       185.0910 
 2330   0.0000       6.804393       185.1569 
 2331   0.0000       6.808778       185.2763 
 2332   0.0000       6.811693       185.3556 
 2333   0.0000       6.812912       185.3888 
 2334   0.0000       6.814560       185.4336 
 2335   0.0000       6.815522       185.4598 
 2336   0.0000       6.816616       185.4895 
 2337   0.0000       6.819713       185.5738 
 2338   0.0000       6.823511       185.6772 
 2339   0.0000       6.825817       185.7399 
 2340   0.0000       6.832320       185.9169 
 2341   0.0000       6.832846       185.9312 
 2342   0.0000       6.833804       185.9573 
 2343   0.0000       6.835193       185.9951 
 2344   0.0000       6.838377       186.0817 
 2345   0.0000       6.841058       186.1546 
 2346   0.0000       6.845514       186.2759 
 2347   0.0000       6.847241       186.3229 
 2348   0.0000       6.849883       186.3948 
 2349   0.0000       6.855380       186.5444 
 2350   0.0000       6.855638       186.5514 
 2351   0.0000       6.857883       186.6125 
 2352   0.0000       6.861255       186.7043 
 2353   0.0000       6.863598       186.7680 
 2354   0.0000       6.865904       186.8308 
 2355   0.0000       6.868317       186.8964 
 2356   0.0000       6.872228       187.0028 
 2357   0.0000       6.872820       187.0189 
 2358   0.0000       6.874606       187.0676 
 2359   0.0000       6.877743       187.1529 
 2360   0.0000       6.884260       187.3302 
 2361   0.0000       6.887622       187.4217 
 2362   0.0000       6.888942       187.4577 
 2363   0.0000       6.891876       187.5375 
 2364   0.0000       6.893466       187.5807 
 2365   0.0000       6.895888       187.6467 
 2366   0.0000       6.902588       187.8290 
 2367   0.0000       6.908616       187.9930 
 2368   0.0000       6.910573       188.0462 
 2369   0.0000       6.912506       188.0989 
 2370   0.0000       6.919131       188.2791 
 2371   0.0000       6.921971       188.3564 
 2372   0.0000       6.927575       188.5089 
 2373   0.0000       6.929747       188.5680 
 2374   0.0000       6.934020       188.6843 
 2375   0.0000       6.938596       188.8088 
 2376   0.0000       6.943479       188.9417 
 2377   0.0000       6.947552       189.0525 
 2378   0.0000       6.949349       189.1014 
 2379   0.0000       6.950954       189.1451 
 2380   0.0000       6.952341       189.1828 
 2381   0.0000       6.958719       189.3564 
 2382   0.0000       6.962647       189.4633 
 2383   0.0000       6.967904       189.6063 
 2384   0.0000       6.969598       189.6524 
 2385   0.0000       6.977223       189.8599 
 2386   0.0000       6.977883       189.8779 
 2387   0.0000       6.982325       189.9987 
 2388   0.0000       6.988015       190.1536 
 2389   0.0000       6.990554       190.2226 
 2390   0.0000       6.998600       190.4416 
 2391   0.0000       7.003180       190.5662 
 2392   0.0000       7.004276       190.5960 
 2393   0.0000       7.009786       190.7460 
 2394   0.0000       7.015836       190.9106 
 2395   0.0000       7.018061       190.9712 
 2396   0.0000       7.025453       191.1723 
 2397   0.0000       7.031462       191.3358 
 2398   0.0000       7.035048       191.4334 
 2399   0.0000       7.043035       191.6507 
 2400   0.0000       7.046690       191.7502 
 2401   0.0000       7.054363       191.9590 
 2402   0.0000       7.065016       192.2489 
 2403   0.0000       7.068152       192.3342 
 2404   0.0000       7.070365       192.3944 
 2405   0.0000       7.077714       192.5944 
 2406   0.0000       7.089579       192.9172 
 2407   0.0000       7.090369       192.9387 
 2408   0.0000       7.106388       193.3747 
 2409   0.0000       7.108682       193.4371 
 2410   0.0000       7.116608       193.6528 
 2411   0.0000       7.122135       193.8032 
 2412   0.0000       7.138485       194.2481 
 2413   0.0000       7.145434       194.4371 
 2414   0.0000       7.155652       194.7152 
 2415   0.0000       7.158332       194.7881 
 2416   0.0000       7.163395       194.9259 
 2417   0.0000       7.165759       194.9902 
 2418   0.0000       7.173807       195.2092 
 2419   0.0000       7.194538       195.7733 
 2420   0.0000       7.207315       196.1210 
 2421   0.0000       7.211876       196.2451 
 2422   0.0000       7.224319       196.5837 
 2423   0.0000       7.226222       196.6355 
 2424   0.0000       7.228643       196.7014 
 2425   0.0000       7.232971       196.8191 
 2426   0.0000       7.240810       197.0325 
 2427   0.0000       7.245892       197.1707 
 2428   0.0000       7.251730       197.3296 
 2429   0.0000       7.260070       197.5566 
 2430   0.0000       7.265903       197.7153 
 2431   0.0000       7.268690       197.7911 
 2432   0.0000       7.281145       198.1300 
 2433   0.0000       7.285499       198.2485 
 2434   0.0000       7.286457       198.2746 
 2435   0.0000       7.290678       198.3894 
 2436   0.0000       7.292500       198.4390 
 2437   0.0000       7.302410       198.7087 
 2438   0.0000       7.305306       198.7875 
 2439   0.0000       7.316700       199.0975 
 2440   0.0000       7.321954       199.2405 
 2441   0.0000       7.328649       199.4227 
 2442   0.0000       7.330066       199.4612 
 2443   0.0000       7.331907       199.5113 
 2444   0.0000       7.333396       199.5518 
 2445   0.0000       7.339699       199.7234 
 2446   0.0000       7.343529       199.8276 
 2447   0.0000       7.355772       200.1607 
 2448   0.0000       7.361339       200.3122 
 2449   0.0000       7.362129       200.3337 
 2450   0.0000       7.364737       200.4047 
 2451   0.0000       7.374746       200.6771 
 2452   0.0000       7.377017       200.7388 
 2453   0.0000       7.381093       200.8497 
 2454   0.0000       7.388231       201.0440 
 2455   0.0000       7.391600       201.1357 
 2456   0.0000       7.403140       201.4497 
 2457   0.0000       7.403296       201.4539 
 2458   0.0000       7.410519       201.6505 
 2459   0.0000       7.416264       201.8068 
 2460   0.0000       7.418843       201.8770 
 2461   0.0000       7.421092       201.9382 
 2462   0.0000       7.424722       202.0369 
 2463   0.0000       7.435762       202.3374 
 2464   0.0000       7.439071       202.4274 
 2465   0.0000       7.441691       202.4987 
 2466   0.0000       7.453111       202.8095 
 2467   0.0000       7.464858       203.1291 
 2468   0.0000       7.469004       203.2419 
 2469   0.0000       7.478201       203.4922 
 2470   0.0000       7.480278       203.5487 
 2471   0.0000       7.493111       203.8979 
 2472   0.0000       7.498071       204.0329 
 2473   0.0000       7.500444       204.0975 
 2474   0.0000       7.509175       204.3350 
 2475   0.0000       7.516127       204.5242 
 2476   0.0000       7.524247       204.7452 
 2477   0.0000       7.539399       205.1575 
 2478   0.0000       7.549516       205.4328 
 2479   0.0000       7.552397       205.5112 
 2480   0.0000       7.556097       205.6118 
 2481   0.0000       7.569608       205.9795 
 2482   0.0000       7.572166       206.0491 
 2483   0.0000       7.578645       206.2254 
 2484   0.0000       7.598996       206.7792 
 2485   0.0000       7.607962       207.0232 
 2486   0.0000       7.610903       207.1032 
 2487   0.0000       7.620149       207.3548 
 2488   0.0000       7.632959       207.7034 
 2489   0.0000       7.657859       208.3809 
 2490   0.0000       7.666669       208.6207 
 2491   0.0000       7.667898       208.6541 
 2492   0.0000       7.703292       209.6172 
 2493   0.0000       7.751139       210.9192 
 2494   0.0000       7.768964       211.4043 
 2495   0.0000       7.793317       212.0669 
 2496   0.0000       7.959275       216.5829 
 2497   0.0000       7.983077       217.2306 
 2498   0.0000       8.047786       218.9914 
 2499   0.0000       8.059133       219.3002 
 2500   0.0000       8.068598       219.5577 
 2501   0.0000       8.091194       220.1726 
 2502   0.0000       8.107350       220.6122 
 2503   0.0000       8.121665       221.0017 
 2504   0.0000       8.130347       221.2380 
 2505   0.0000       8.141500       221.5415 
 2506   0.0000       8.150430       221.7845 
 2507   0.0000       8.160231       222.0512 
 2508   0.0000       8.168880       222.2865 
 2509   0.0000       8.170854       222.3402 
 2510   0.0000       8.187725       222.7993 
 2511   0.0000       8.208033       223.3519 
 2512   0.0000       8.225702       223.8327 
 2513   0.0000       8.228758       223.9159 
 2514   0.0000       8.240274       224.2292 
 2515   0.0000       8.256317       224.6658 
 2516   0.0000       8.259792       224.7604 
 2517   0.0000       8.286374       225.4837 
 2518   0.0000       8.324063       226.5093 
 2519   0.0000       8.325949       226.5606 
 2520   0.0000       8.359675       227.4783 
 2521   0.0000       8.378514       227.9910 
 2522   0.0000       8.422651       229.1920 
 2523   0.0000       8.442018       229.7190 
 2524   0.0000       8.461776       230.2566 
 2525   0.0000       8.495277       231.1683 
 2526   0.0000       8.499008       231.2698 
 2527   0.0000      12.457748       338.9926 
 2528   0.0000      12.581200       342.3518 
 2529   0.0000      12.708014       345.8026 
 2530   0.0000      12.962766       352.7348 
 2531   0.0000      13.056469       355.2846 
 2532   0.0000      13.063852       355.4855 
 2533   0.0000      13.090835       356.2197 
 2534   0.0000      13.149217       357.8084 
 2535   0.0000      13.252082       360.6075 
 2536   0.0000      13.556169       368.8821 
 2537   0.0000      13.626296       370.7904 
 2538   0.0000      13.734665       373.7392 
 2539   0.0000      13.867754       377.3608 
 2540   0.0000      13.904850       378.3702 
 2541   0.0000      13.920948       378.8082 
 2542   0.0000      13.987848       380.6287 
 2543   0.0000      14.023503       381.5989 
 2544   0.0000      14.066521       382.7695 
 2545   0.0000      14.202964       386.4823 
 2546   0.0000      14.313893       389.5008 
 2547   0.0000      14.337925       390.1548 
 2548   0.0000      14.400750       391.8643 
 2549   0.0000      14.489473       394.2786 
 2550   0.0000      14.626374       398.0039 
 2551   0.0000      14.694156       399.8483 
 2552   0.0000      14.936342       406.4385 
 2553   0.0000      15.126056       411.6009 
 2554   0.0000      15.180508       413.0826 
 2555   0.0000      15.265509       415.3956 
 2556   0.0000      15.416216       419.4966 
 2557   0.0000      15.461770       420.7362 
 2558   0.0000      15.942178       433.8087 
 2559   0.0000      16.381182       445.7546 
 2560   0.0000      16.602814       451.7855 
 2561   0.0000      17.276866       470.1274 

                    ********************************
                    * MULLIKEN POPULATION ANALYSIS *
                    ********************************

-----------------------
MULLIKEN ATOMIC CHARGES
-----------------------
   0 C :   -0.127814
   1 H :    0.151927
   2 H :    0.217918
   3 C :   -0.225255
   4 H :    0.125796
   5 H :    0.185156
   6 C :   -0.252644
   7 H :    0.200794
   8 H :    0.167422
   9 C :   -0.119192
  10 H :    0.159783
  11 H :    0.158565
  12 O :   -0.521222
  13 H :    0.231568
  14 O :   -0.666188
  15 H :    0.297477
  16 O :   -0.486099
  17 H :    0.201471
  18 H :    0.284177
  19 O :   -0.495943
  20 H :    0.307471
  21 H :    0.198716
  22 O :   -0.526085
  23 H :    0.206041
  24 H :    0.323594
  25 O :   -0.541665
  26 H :    0.217161
  27 H :    0.259197
  28 O :   -0.587711
  29 H :    0.289884
  30 H :    0.296649
  31 O :   -0.599453
  32 H :    0.328456
  33 H :    0.252242
  34 O :   -0.532105
  35 H :    0.275489
  36 H :    0.272641
  37 O :   -0.450310
  38 H :    0.279379
  39 H :    0.184877
  40 O :   -0.618664
  41 H :    0.354686
  42 H :    0.272926
  43 O :   -0.612684
  44 H :    0.261799
  45 H :    0.353916
  46 O :   -0.553773
  47 H :    0.287955
  48 H :    0.270270
  49 O :   -0.439779
  50 H :    0.267401
  51 H :    0.205941
  52 O :   -0.485492
  53 H :    0.201248
  54 H :    0.292413
  55 O :   -0.620352
  56 H :    0.331702
  57 H :    0.284085
  58 O :   -0.632253
  59 H :    0.248032
  60 H :    0.325937
  61 O :   -0.672765
  62 H :    0.340956
  63 H :    0.344562
  64 O :   -0.485064
  65 H :    0.206554
  66 H :    0.291840
  67 O :   -0.665061
  68 H :    0.307535
  69 H :    0.387560
  70 O :   -0.613636
  71 H :    0.305678
  72 H :    0.299714
  73 O :   -0.499457
  74 H :    0.296296
  75 H :    0.226520
  76 O :   -0.603690
  77 H :    0.308265
  78 H :    0.284515
  79 O :   -0.649499
  80 H :    0.287609
  81 H :    0.322510
  82 O :   -0.596721
  83 H :    0.253060
  84 H :    0.323666
  85 O :   -0.594708
  86 H :    0.271728
  87 H :    0.321668
  88 O :   -0.474818
  89 H :    0.253343
  90 H :    0.257645
  91 O :   -0.679835
  92 H :    0.356901
  93 H :    0.333401
  94 O :   -0.607008
  95 H :    0.343873
  96 H :    0.271980
  97 O :   -0.718992
  98 H :    0.334443
  99 H :    0.393918
 100 O :   -0.574162
 101 H :    0.259246
 102 H :    0.312945
 103 Q :    0.664500
 104 Q :    0.664500
 105 Q :   -1.329000
 106 Q :    0.664500
 107 Q :    0.664500
 108 Q :   -1.329000
 109 Q :    0.664500
 110 Q :    0.664500
 111 Q :   -1.329000
 112 Q :    0.664500
 113 Q :    0.664500
 114 Q :   -1.329000
 115 Q :    0.664500
 116 Q :    0.664500
 117 Q :   -1.329000
 118 Q :    0.664500
 119 Q :    0.664500
 120 Q :   -1.329000
 121 Q :    0.664500
 122 Q :    0.664500
 123 Q :   -1.329000
 124 Q :    0.664500
 125 Q :    0.664500
 126 Q :   -1.329000
 127 Q :    0.664500
 128 Q :    0.664500
 129 Q :   -1.329000
 130 Q :    0.664500
 131 Q :    0.664500
 132 Q :   -1.329000
 133 Q :    0.664500
 134 Q :    0.664500
 135 Q :   -1.329000
 136 Q :    0.664500
 137 Q :    0.664500
 138 Q :   -1.329000
 139 Q :    0.664500
 140 Q :    0.664500
 141 Q :   -1.329000
 142 Q :    0.664500
 143 Q :    0.664500
 144 Q :   -1.329000
 145 Q :    0.664500
 146 Q :    0.664500
 147 Q :   -1.329000
 148 Q :    0.664500
 149 Q :    0.664500
 150 Q :   -1.329000
 151 Q :    0.664500
 152 Q :    0.664500
 153 Q :   -1.329000
 154 Q :    0.664500
 155 Q :    0.664500
 156 Q :   -1.329000
 157 Q :    0.664500
 158 Q :    0.664500
 159 Q :   -1.329000
 160 Q :    0.664500
 161 Q :    0.664500
 162 Q :   -1.329000
 163 Q :    0.664500
 164 Q :    0.664500
 165 Q :   -1.329000
 166 Q :    0.664500
 167 Q :    0.664500
 168 Q :   -1.329000
 169 Q :    0.664500
 170 Q :    0.664500
 171 Q :   -1.329000
 172 Q :    0.664500
 173 Q :    0.664500
 174 Q :   -1.329000
 175 Q :    0.664500
 176 Q :    0.664500
 177 Q :   -1.329000
 178 Q :    0.664500
 179 Q :    0.664500
 180 Q :   -1.329000
 181 Q :    0.664500
 182 Q :    0.664500
 183 Q :   -1.329000
 184 Q :    0.664500
 185 Q :    0.664500
 186 Q :   -1.329000
 187 Q :    0.664500
 188 Q :    0.664500
 189 Q :   -1.329000
 190 Q :    0.664500
 191 Q :    0.664500
 192 Q :   -1.329000
 193 Q :    0.664500
 194 Q :    0.664500
 195 Q :   -1.329000
 196 Q :    0.664500
 197 Q :    0.664500
 198 Q :   -1.329000
 199 Q :    0.664500
 200 Q :    0.664500
 201 Q :   -1.329000
 202 Q :    0.664500
 203 Q :    0.664500
 204 Q :   -1.329000
 205 Q :    0.664500
 206 Q :    0.664500
 207 Q :   -1.329000
 208 Q :    0.664500
 209 Q :    0.664500
 210 Q :   -1.329000
 211 Q :    0.664500
 212 Q :    0.664500
 213 Q :   -1.329000
 214 Q :    0.664500
 215 Q :    0.664500
 216 Q :   -1.329000
 217 Q :    0.664500
 218 Q :    0.664500
 219 Q :   -1.329000
 220 Q :    0.664500
 221 Q :    0.664500
 222 Q :   -1.329000
 223 Q :    0.664500
 224 Q :    0.664500
 225 Q :   -1.329000
 226 Q :    0.664500
 227 Q :    0.664500
 228 Q :   -1.329000
 229 Q :    0.664500
 230 Q :    0.664500
 231 Q :   -1.329000
 232 Q :    0.664500
 233 Q :    0.664500
 234 Q :   -1.329000
 235 Q :    0.664500
 236 Q :    0.664500
 237 Q :   -1.329000
 238 Q :    0.664500
 239 Q :    0.664500
 240 Q :   -1.329000
 241 Q :    0.664500
 242 Q :    0.664500
 243 Q :   -1.329000
 244 Q :    0.664500
 245 Q :    0.664500
 246 Q :   -1.329000
 247 Q :    0.664500
 248 Q :    0.664500
 249 Q :   -1.329000
 250 Q :    0.664500
 251 Q :    0.664500
 252 Q :   -1.329000
 253 Q :    0.664500
 254 Q :    0.664500
 255 Q :   -1.329000
 256 Q :    0.664500
 257 Q :    0.664500
 258 Q :   -1.329000
 259 Q :    0.664500
 260 Q :    0.664500
 261 Q :   -1.329000
 262 Q :    0.664500
 263 Q :    0.664500
 264 Q :   -1.329000
 265 Q :    0.664500
 266 Q :    0.664500
 267 Q :   -1.329000
 268 Q :    0.664500
 269 Q :    0.664500
 270 Q :   -1.329000
 271 Q :    0.664500
 272 Q :    0.664500
 273 Q :   -1.329000
 274 Q :    0.664500
 275 Q :    0.664500
 276 Q :   -1.329000
 277 Q :    0.664500
 278 Q :    0.664500
 279 Q :   -1.329000
 280 Q :    0.664500
 281 Q :    0.664500
 282 Q :   -1.329000
 283 Q :    0.664500
 284 Q :    0.664500
 285 Q :   -1.329000
 286 Q :    0.664500
 287 Q :    0.664500
 288 Q :   -1.329000
 289 Q :    0.664500
 290 Q :    0.664500
 291 Q :   -1.329000
 292 Q :    0.664500
 293 Q :    0.664500
 294 Q :   -1.329000
 295 Q :    0.664500
 296 Q :    0.664500
 297 Q :   -1.329000
 298 Q :    0.664500
 299 Q :    0.664500
 300 Q :   -1.329000
 301 Q :    0.664500
 302 Q :    0.664500
 303 Q :   -1.329000
 304 Q :    0.664500
 305 Q :    0.664500
 306 Q :   -1.329000
 307 Q :    0.664500
 308 Q :    0.664500
 309 Q :   -1.329000
 310 Q :    0.664500
 311 Q :    0.664500
 312 Q :   -1.329000
 313 Q :    0.664500
 314 Q :    0.664500
 315 Q :   -1.329000
 316 Q :    0.664500
 317 Q :    0.664500
 318 Q :   -1.329000
 319 Q :    0.664500
 320 Q :    0.664500
 321 Q :   -1.329000
 322 Q :    0.664500
 323 Q :    0.664500
 324 Q :   -1.329000
 325 Q :    0.664500
 326 Q :    0.664500
 327 Q :   -1.329000
 328 Q :    0.664500
 329 Q :    0.664500
 330 Q :   -1.329000
 331 Q :    0.664500
 332 Q :    0.664500
 333 Q :   -1.329000
 334 Q :    0.664500
 335 Q :    0.664500
 336 Q :   -1.329000
 337 Q :    0.664500
 338 Q :    0.664500
 339 Q :   -1.329000
 340 Q :    0.664500
 341 Q :    0.664500
 342 Q :   -1.329000
 343 Q :    0.664500
 344 Q :    0.664500
 345 Q :   -1.329000
 346 Q :    0.664500
 347 Q :    0.664500
 348 Q :   -1.329000
 349 Q :    0.664500
 350 Q :    0.664500
 351 Q :   -1.329000
 352 Q :    0.664500
 353 Q :    0.664500
 354 Q :   -1.329000
 355 Q :    0.664500
 356 Q :    0.664500
 357 Q :   -1.329000
 358 Q :    0.664500
 359 Q :    0.664500
 360 Q :   -1.329000
 361 Q :    0.664500
 362 Q :    0.664500
 363 Q :   -1.329000
 364 Q :    0.664500
 365 Q :    0.664500
 366 Q :   -1.329000
 367 Q :    0.664500
 368 Q :    0.664500
 369 Q :   -1.329000
 370 Q :    0.664500
 371 Q :    0.664500
 372 Q :   -1.329000
 373 Q :    0.664500
 374 Q :    0.664500
 375 Q :   -1.329000
 376 Q :    0.664500
 377 Q :    0.664500
 378 Q :   -1.329000
 379 Q :    0.664500
 380 Q :    0.664500
 381 Q :   -1.329000
 382 Q :    0.664500
 383 Q :    0.664500
 384 Q :   -1.329000
 385 Q :    0.664500
 386 Q :    0.664500
 387 Q :   -1.329000
 388 Q :    0.664500
 389 Q :    0.664500
 390 Q :   -1.329000
 391 Q :    0.664500
 392 Q :    0.664500
 393 Q :   -1.329000
 394 Q :    0.664500
 395 Q :    0.664500
 396 Q :   -1.329000
 397 Q :    0.664500
 398 Q :    0.664500
 399 Q :   -1.329000
 400 Q :    0.664500
 401 Q :    0.664500
 402 Q :   -1.329000
 403 Q :    0.664500
 404 Q :    0.664500
 405 Q :   -1.329000
 406 Q :    0.664500
 407 Q :    0.664500
 408 Q :   -1.329000
 409 Q :    0.664500
 410 Q :    0.664500
 411 Q :   -1.329000
 412 Q :    0.664500
 413 Q :    0.664500
 414 Q :   -1.329000
 415 Q :    0.664500
 416 Q :    0.664500
 417 Q :   -1.329000
 418 Q :    0.664500
 419 Q :    0.664500
 420 Q :   -1.329000
 421 Q :    0.664500
 422 Q :    0.664500
 423 Q :   -1.329000
 424 Q :    0.664500
 425 Q :    0.664500
 426 Q :   -1.329000
 427 Q :    0.664500
 428 Q :    0.664500
 429 Q :   -1.329000
 430 Q :    0.664500
 431 Q :    0.664500
 432 Q :   -1.329000
 433 Q :    0.664500
 434 Q :    0.664500
 435 Q :   -1.329000
 436 Q :    0.664500
 437 Q :    0.664500
 438 Q :   -1.329000
 439 Q :    0.664500
 440 Q :    0.664500
 441 Q :   -1.329000
 442 Q :    0.664500
 443 Q :    0.664500
 444 Q :   -1.329000
 445 Q :    0.664500
 446 Q :    0.664500
 447 Q :   -1.329000
 448 Q :    0.664500
 449 Q :    0.664500
 450 Q :   -1.329000
 451 Q :    0.664500
 452 Q :    0.664500
 453 Q :   -1.329000
 454 Q :    0.664500
 455 Q :    0.664500
 456 Q :   -1.329000
 457 Q :    0.664500
 458 Q :    0.664500
 459 Q :   -1.329000
 460 Q :    0.664500
 461 Q :    0.664500
 462 Q :   -1.329000
 463 Q :    0.664500
 464 Q :    0.664500
 465 Q :   -1.329000
 466 Q :    0.664500
 467 Q :    0.664500
 468 Q :   -1.329000
 469 Q :    0.664500
 470 Q :    0.664500
 471 Q :   -1.329000
 472 Q :    0.664500
 473 Q :    0.664500
 474 Q :   -1.329000
 475 Q :    0.664500
 476 Q :    0.664500
 477 Q :   -1.329000
 478 Q :    0.664500
 479 Q :    0.664500
 480 Q :   -1.329000
 481 Q :    0.664500
 482 Q :    0.664500
 483 Q :   -1.329000
 484 Q :    0.664500
 485 Q :    0.664500
 486 Q :   -1.329000
 487 Q :    0.664500
 488 Q :    0.664500
 489 Q :   -1.329000
 490 Q :    0.664500
 491 Q :    0.664500
 492 Q :   -1.329000
 493 Q :    0.664500
 494 Q :    0.664500
 495 Q :   -1.329000
 496 Q :    0.664500
 497 Q :    0.664500
 498 Q :   -1.329000
 499 Q :    0.664500
 500 Q :    0.664500
 501 Q :   -1.329000
 502 Q :    0.664500
 503 Q :    0.664500
 504 Q :   -1.329000
 505 Q :    0.664500
 506 Q :    0.664500
 507 Q :   -1.329000
 508 Q :    0.664500
 509 Q :    0.664500
 510 Q :   -1.329000
 511 Q :    0.664500
 512 Q :    0.664500
 513 Q :   -1.329000
 514 Q :    0.664500
 515 Q :    0.664500
 516 Q :   -1.329000
 517 Q :    0.664500
 518 Q :    0.664500
 519 Q :   -1.329000
 520 Q :    0.664500
 521 Q :    0.664500
 522 Q :   -1.329000
 523 Q :    0.664500
 524 Q :    0.664500
 525 Q :   -1.329000
 526 Q :    0.664500
 527 Q :    0.664500
 528 Q :   -1.329000
 529 Q :    0.664500
 530 Q :    0.664500
 531 Q :   -1.329000
 532 Q :    0.664500
 533 Q :    0.664500
 534 Q :   -1.329000
 535 Q :    0.664500
 536 Q :    0.664500
 537 Q :   -1.329000
 538 Q :    0.664500
 539 Q :    0.664500
 540 Q :   -1.329000
 541 Q :    0.664500
 542 Q :    0.664500
 543 Q :   -1.329000
 544 Q :    0.664500
 545 Q :    0.664500
 546 Q :   -1.329000
 547 Q :    0.664500
 548 Q :    0.664500
 549 Q :   -1.329000
 550 Q :    0.664500
 551 Q :    0.664500
 552 Q :   -1.329000
 553 Q :    0.664500
 554 Q :    0.664500
 555 Q :   -1.329000
 556 Q :    0.664500
 557 Q :    0.664500
 558 Q :   -1.329000
 559 Q :    0.664500
 560 Q :    0.664500
 561 Q :   -1.329000
 562 Q :    0.664500
 563 Q :    0.664500
 564 Q :   -1.329000
 565 Q :    0.664500
 566 Q :    0.664500
 567 Q :   -1.329000
 568 Q :    0.664500
 569 Q :    0.664500
 570 Q :   -1.329000
 571 Q :    0.664500
 572 Q :    0.664500
 573 Q :   -1.329000
 574 Q :    0.664500
 575 Q :    0.664500
 576 Q :   -1.329000
 577 Q :    0.664500
 578 Q :    0.664500
 579 Q :   -1.329000
 580 Q :    0.664500
 581 Q :    0.664500
 582 Q :   -1.329000
 583 Q :    0.664500
 584 Q :    0.664500
 585 Q :   -1.329000
 586 Q :    0.664500
 587 Q :    0.664500
 588 Q :   -1.329000
 589 Q :    0.664500
 590 Q :    0.664500
 591 Q :   -1.329000
 592 Q :    0.664500
 593 Q :    0.664500
 594 Q :   -1.329000
 595 Q :    0.664500
 596 Q :    0.664500
 597 Q :   -1.329000
 598 Q :    0.664500
 599 Q :    0.664500
 600 Q :   -1.329000
 601 Q :    0.664500
 602 Q :    0.664500
 603 Q :   -1.329000
 604 Q :    0.664500
 605 Q :    0.664500
 606 Q :   -1.329000
 607 Q :    0.664500
 608 Q :    0.664500
 609 Q :   -1.329000
 610 Q :    0.664500
 611 Q :    0.664500
 612 Q :   -1.329000
 613 Q :    0.664500
 614 Q :    0.664500
 615 Q :   -1.329000
 616 Q :    0.664500
 617 Q :    0.664500
 618 Q :   -1.329000
 619 Q :    0.664500
 620 Q :    0.664500
 621 Q :   -1.329000
 622 Q :    0.664500
 623 Q :    0.664500
 624 Q :   -1.329000
 625 Q :    0.664500
 626 Q :    0.664500
 627 Q :   -1.329000
 628 Q :    0.664500
 629 Q :    0.664500
 630 Q :   -1.329000
Sum of atomic charges:    0.0000000


                     *******************************
                     * LOEWDIN POPULATION ANALYSIS *
                     *******************************

----------------------
LOEWDIN ATOMIC CHARGES
----------------------
   0 C :   -0.597684
   1 H :    0.181267
   2 H :    0.151204
   3 C :   -0.461674
   4 H :    0.193571
   5 H :    0.195642
   6 C :   -0.450066
   7 H :    0.196838
   8 H :    0.196647
   9 C :   -0.669540
  10 H :    0.181080
  11 H :    0.151855
  12 O :    0.279954
  13 H :   -0.022757
  14 O :    0.250963
  15 H :    0.007412
  16 O :    0.331229
  17 H :   -0.109809
  18 H :   -0.162296
  19 O :    0.304783
  20 H :   -0.127799
  21 H :   -0.140165
  22 O :    0.271449
  23 H :   -0.166569
  24 H :   -0.138348
  25 O :    0.218302
  26 H :   -0.090904
  27 H :   -0.123674
  28 O :    0.190499
  29 H :   -0.076556
  30 H :   -0.064955
  31 O :    0.290260
  32 H :   -0.106094
  33 H :   -0.156374
  34 O :    0.250873
  35 H :   -0.121832
  36 H :   -0.089911
  37 O :    0.279853
  38 H :   -0.095452
  39 H :   -0.107519
  40 O :    0.154159
  41 H :   -0.037014
  42 H :   -0.100099
  43 O :    0.246114
  44 H :   -0.190141
  45 H :   -0.034742
  46 O :    0.286499
  47 H :   -0.148798
  48 H :   -0.123878
  49 O :    0.211387
  50 H :   -0.032452
  51 H :   -0.124965
  52 O :    0.366085
  53 H :   -0.235925
  54 H :   -0.122504
  55 O :    0.252353
  56 H :   -0.144209
  57 H :   -0.091248
  58 O :    0.196261
  59 H :   -0.213266
  60 H :   -0.137575
  61 O :    0.185443
  62 H :   -0.102941
  63 H :   -0.112715
  64 O :    0.253172
  65 H :   -0.120446
  66 H :   -0.090805
  67 O :    0.168998
  68 H :   -0.118257
  69 H :   -0.066555
  70 O :    0.241311
  71 H :   -0.132083
  72 H :   -0.177973
  73 O :    0.346796
  74 H :   -0.101396
  75 H :   -0.220566
  76 O :    0.275003
  77 H :   -0.107577
  78 H :   -0.112808
  79 O :    0.185950
  80 H :   -0.168251
  81 H :   -0.096436
  82 O :    0.139395
  83 H :   -0.122164
  84 H :   -0.045281
  85 O :    0.100408
  86 H :   -0.090476
  87 H :   -0.040268
  88 O :    0.326334
  89 H :   -0.126241
  90 H :   -0.113538
  91 O :    0.181172
  92 H :   -0.086402
  93 H :   -0.060861
  94 O :    0.130773
  95 H :   -0.034439
  96 H :   -0.107633
  97 O :    0.136011
  98 H :   -0.051037
  99 H :   -0.069177
 100 O :    0.162507
 101 H :   -0.112426
 102 H :   -0.064264
 103 Q :    0.664500
 104 Q :    0.664500
 105 Q :   -1.329000
 106 Q :    0.664500
 107 Q :    0.664500
 108 Q :   -1.329000
 109 Q :    0.664500
 110 Q :    0.664500
 111 Q :   -1.329000
 112 Q :    0.664500
 113 Q :    0.664500
 114 Q :   -1.329000
 115 Q :    0.664500
 116 Q :    0.664500
 117 Q :   -1.329000
 118 Q :    0.664500
 119 Q :    0.664500
 120 Q :   -1.329000
 121 Q :    0.664500
 122 Q :    0.664500
 123 Q :   -1.329000
 124 Q :    0.664500
 125 Q :    0.664500
 126 Q :   -1.329000
 127 Q :    0.664500
 128 Q :    0.664500
 129 Q :   -1.329000
 130 Q :    0.664500
 131 Q :    0.664500
 132 Q :   -1.329000
 133 Q :    0.664500
 134 Q :    0.664500
 135 Q :   -1.329000
 136 Q :    0.664500
 137 Q :    0.664500
 138 Q :   -1.329000
 139 Q :    0.664500
 140 Q :    0.664500
 141 Q :   -1.329000
 142 Q :    0.664500
 143 Q :    0.664500
 144 Q :   -1.329000
 145 Q :    0.664500
 146 Q :    0.664500
 147 Q :   -1.329000
 148 Q :    0.664500
 149 Q :    0.664500
 150 Q :   -1.329000
 151 Q :    0.664500
 152 Q :    0.664500
 153 Q :   -1.329000
 154 Q :    0.664500
 155 Q :    0.664500
 156 Q :   -1.329000
 157 Q :    0.664500
 158 Q :    0.664500
 159 Q :   -1.329000
 160 Q :    0.664500
 161 Q :    0.664500
 162 Q :   -1.329000
 163 Q :    0.664500
 164 Q :    0.664500
 165 Q :   -1.329000
 166 Q :    0.664500
 167 Q :    0.664500
 168 Q :   -1.329000
 169 Q :    0.664500
 170 Q :    0.664500
 171 Q :   -1.329000
 172 Q :    0.664500
 173 Q :    0.664500
 174 Q :   -1.329000
 175 Q :    0.664500
 176 Q :    0.664500
 177 Q :   -1.329000
 178 Q :    0.664500
 179 Q :    0.664500
 180 Q :   -1.329000
 181 Q :    0.664500
 182 Q :    0.664500
 183 Q :   -1.329000
 184 Q :    0.664500
 185 Q :    0.664500
 186 Q :   -1.329000
 187 Q :    0.664500
 188 Q :    0.664500
 189 Q :   -1.329000
 190 Q :    0.664500
 191 Q :    0.664500
 192 Q :   -1.329000
 193 Q :    0.664500
 194 Q :    0.664500
 195 Q :   -1.329000
 196 Q :    0.664500
 197 Q :    0.664500
 198 Q :   -1.329000
 199 Q :    0.664500
 200 Q :    0.664500
 201 Q :   -1.329000
 202 Q :    0.664500
 203 Q :    0.664500
 204 Q :   -1.329000
 205 Q :    0.664500
 206 Q :    0.664500
 207 Q :   -1.329000
 208 Q :    0.664500
 209 Q :    0.664500
 210 Q :   -1.329000
 211 Q :    0.664500
 212 Q :    0.664500
 213 Q :   -1.329000
 214 Q :    0.664500
 215 Q :    0.664500
 216 Q :   -1.329000
 217 Q :    0.664500
 218 Q :    0.664500
 219 Q :   -1.329000
 220 Q :    0.664500
 221 Q :    0.664500
 222 Q :   -1.329000
 223 Q :    0.664500
 224 Q :    0.664500
 225 Q :   -1.329000
 226 Q :    0.664500
 227 Q :    0.664500
 228 Q :   -1.329000
 229 Q :    0.664500
 230 Q :    0.664500
 231 Q :   -1.329000
 232 Q :    0.664500
 233 Q :    0.664500
 234 Q :   -1.329000
 235 Q :    0.664500
 236 Q :    0.664500
 237 Q :   -1.329000
 238 Q :    0.664500
 239 Q :    0.664500
 240 Q :   -1.329000
 241 Q :    0.664500
 242 Q :    0.664500
 243 Q :   -1.329000
 244 Q :    0.664500
 245 Q :    0.664500
 246 Q :   -1.329000
 247 Q :    0.664500
 248 Q :    0.664500
 249 Q :   -1.329000
 250 Q :    0.664500
 251 Q :    0.664500
 252 Q :   -1.329000
 253 Q :    0.664500
 254 Q :    0.664500
 255 Q :   -1.329000
 256 Q :    0.664500
 257 Q :    0.664500
 258 Q :   -1.329000
 259 Q :    0.664500
 260 Q :    0.664500
 261 Q :   -1.329000
 262 Q :    0.664500
 263 Q :    0.664500
 264 Q :   -1.329000
 265 Q :    0.664500
 266 Q :    0.664500
 267 Q :   -1.329000
 268 Q :    0.664500
 269 Q :    0.664500
 270 Q :   -1.329000
 271 Q :    0.664500
 272 Q :    0.664500
 273 Q :   -1.329000
 274 Q :    0.664500
 275 Q :    0.664500
 276 Q :   -1.329000
 277 Q :    0.664500
 278 Q :    0.664500
 279 Q :   -1.329000
 280 Q :    0.664500
 281 Q :    0.664500
 282 Q :   -1.329000
 283 Q :    0.664500
 284 Q :    0.664500
 285 Q :   -1.329000
 286 Q :    0.664500
 287 Q :    0.664500
 288 Q :   -1.329000
 289 Q :    0.664500
 290 Q :    0.664500
 291 Q :   -1.329000
 292 Q :    0.664500
 293 Q :    0.664500
 294 Q :   -1.329000
 295 Q :    0.664500
 296 Q :    0.664500
 297 Q :   -1.329000
 298 Q :    0.664500
 299 Q :    0.664500
 300 Q :   -1.329000
 301 Q :    0.664500
 302 Q :    0.664500
 303 Q :   -1.329000
 304 Q :    0.664500
 305 Q :    0.664500
 306 Q :   -1.329000
 307 Q :    0.664500
 308 Q :    0.664500
 309 Q :   -1.329000
 310 Q :    0.664500
 311 Q :    0.664500
 312 Q :   -1.329000
 313 Q :    0.664500
 314 Q :    0.664500
 315 Q :   -1.329000
 316 Q :    0.664500
 317 Q :    0.664500
 318 Q :   -1.329000
 319 Q :    0.664500
 320 Q :    0.664500
 321 Q :   -1.329000
 322 Q :    0.664500
 323 Q :    0.664500
 324 Q :   -1.329000
 325 Q :    0.664500
 326 Q :    0.664500
 327 Q :   -1.329000
 328 Q :    0.664500
 329 Q :    0.664500
 330 Q :   -1.329000
 331 Q :    0.664500
 332 Q :    0.664500
 333 Q :   -1.329000
 334 Q :    0.664500
 335 Q :    0.664500
 336 Q :   -1.329000
 337 Q :    0.664500
 338 Q :    0.664500
 339 Q :   -1.329000
 340 Q :    0.664500
 341 Q :    0.664500
 342 Q :   -1.329000
 343 Q :    0.664500
 344 Q :    0.664500
 345 Q :   -1.329000
 346 Q :    0.664500
 347 Q :    0.664500
 348 Q :   -1.329000
 349 Q :    0.664500
 350 Q :    0.664500
 351 Q :   -1.329000
 352 Q :    0.664500
 353 Q :    0.664500
 354 Q :   -1.329000
 355 Q :    0.664500
 356 Q :    0.664500
 357 Q :   -1.329000
 358 Q :    0.664500
 359 Q :    0.664500
 360 Q :   -1.329000
 361 Q :    0.664500
 362 Q :    0.664500
 363 Q :   -1.329000
 364 Q :    0.664500
 365 Q :    0.664500
 366 Q :   -1.329000
 367 Q :    0.664500
 368 Q :    0.664500
 369 Q :   -1.329000
 370 Q :    0.664500
 371 Q :    0.664500
 372 Q :   -1.329000
 373 Q :    0.664500
 374 Q :    0.664500
 375 Q :   -1.329000
 376 Q :    0.664500
 377 Q :    0.664500
 378 Q :   -1.329000
 379 Q :    0.664500
 380 Q :    0.664500
 381 Q :   -1.329000
 382 Q :    0.664500
 383 Q :    0.664500
 384 Q :   -1.329000
 385 Q :    0.664500
 386 Q :    0.664500
 387 Q :   -1.329000
 388 Q :    0.664500
 389 Q :    0.664500
 390 Q :   -1.329000
 391 Q :    0.664500
 392 Q :    0.664500
 393 Q :   -1.329000
 394 Q :    0.664500
 395 Q :    0.664500
 396 Q :   -1.329000
 397 Q :    0.664500
 398 Q :    0.664500
 399 Q :   -1.329000
 400 Q :    0.664500
 401 Q :    0.664500
 402 Q :   -1.329000
 403 Q :    0.664500
 404 Q :    0.664500
 405 Q :   -1.329000
 406 Q :    0.664500
 407 Q :    0.664500
 408 Q :   -1.329000
 409 Q :    0.664500
 410 Q :    0.664500
 411 Q :   -1.329000
 412 Q :    0.664500
 413 Q :    0.664500
 414 Q :   -1.329000
 415 Q :    0.664500
 416 Q :    0.664500
 417 Q :   -1.329000
 418 Q :    0.664500
 419 Q :    0.664500
 420 Q :   -1.329000
 421 Q :    0.664500
 422 Q :    0.664500
 423 Q :   -1.329000
 424 Q :    0.664500
 425 Q :    0.664500
 426 Q :   -1.329000
 427 Q :    0.664500
 428 Q :    0.664500
 429 Q :   -1.329000
 430 Q :    0.664500
 431 Q :    0.664500
 432 Q :   -1.329000
 433 Q :    0.664500
 434 Q :    0.664500
 435 Q :   -1.329000
 436 Q :    0.664500
 437 Q :    0.664500
 438 Q :   -1.329000
 439 Q :    0.664500
 440 Q :    0.664500
 441 Q :   -1.329000
 442 Q :    0.664500
 443 Q :    0.664500
 444 Q :   -1.329000
 445 Q :    0.664500
 446 Q :    0.664500
 447 Q :   -1.329000
 448 Q :    0.664500
 449 Q :    0.664500
 450 Q :   -1.329000
 451 Q :    0.664500
 452 Q :    0.664500
 453 Q :   -1.329000
 454 Q :    0.664500
 455 Q :    0.664500
 456 Q :   -1.329000
 457 Q :    0.664500
 458 Q :    0.664500
 459 Q :   -1.329000
 460 Q :    0.664500
 461 Q :    0.664500
 462 Q :   -1.329000
 463 Q :    0.664500
 464 Q :    0.664500
 465 Q :   -1.329000
 466 Q :    0.664500
 467 Q :    0.664500
 468 Q :   -1.329000
 469 Q :    0.664500
 470 Q :    0.664500
 471 Q :   -1.329000
 472 Q :    0.664500
 473 Q :    0.664500
 474 Q :   -1.329000
 475 Q :    0.664500
 476 Q :    0.664500
 477 Q :   -1.329000
 478 Q :    0.664500
 479 Q :    0.664500
 480 Q :   -1.329000
 481 Q :    0.664500
 482 Q :    0.664500
 483 Q :   -1.329000
 484 Q :    0.664500
 485 Q :    0.664500
 486 Q :   -1.329000
 487 Q :    0.664500
 488 Q :    0.664500
 489 Q :   -1.329000
 490 Q :    0.664500
 491 Q :    0.664500
 492 Q :   -1.329000
 493 Q :    0.664500
 494 Q :    0.664500
 495 Q :   -1.329000
 496 Q :    0.664500
 497 Q :    0.664500
 498 Q :   -1.329000
 499 Q :    0.664500
 500 Q :    0.664500
 501 Q :   -1.329000
 502 Q :    0.664500
 503 Q :    0.664500
 504 Q :   -1.329000
 505 Q :    0.664500
 506 Q :    0.664500
 507 Q :   -1.329000
 508 Q :    0.664500
 509 Q :    0.664500
 510 Q :   -1.329000
 511 Q :    0.664500
 512 Q :    0.664500
 513 Q :   -1.329000
 514 Q :    0.664500
 515 Q :    0.664500
 516 Q :   -1.329000
 517 Q :    0.664500
 518 Q :    0.664500
 519 Q :   -1.329000
 520 Q :    0.664500
 521 Q :    0.664500
 522 Q :   -1.329000
 523 Q :    0.664500
 524 Q :    0.664500
 525 Q :   -1.329000
 526 Q :    0.664500
 527 Q :    0.664500
 528 Q :   -1.329000
 529 Q :    0.664500
 530 Q :    0.664500
 531 Q :   -1.329000
 532 Q :    0.664500
 533 Q :    0.664500
 534 Q :   -1.329000
 535 Q :    0.664500
 536 Q :    0.664500
 537 Q :   -1.329000
 538 Q :    0.664500
 539 Q :    0.664500
 540 Q :   -1.329000
 541 Q :    0.664500
 542 Q :    0.664500
 543 Q :   -1.329000
 544 Q :    0.664500
 545 Q :    0.664500
 546 Q :   -1.329000
 547 Q :    0.664500
 548 Q :    0.664500
 549 Q :   -1.329000
 550 Q :    0.664500
 551 Q :    0.664500
 552 Q :   -1.329000
 553 Q :    0.664500
 554 Q :    0.664500
 555 Q :   -1.329000
 556 Q :    0.664500
 557 Q :    0.664500
 558 Q :   -1.329000
 559 Q :    0.664500
 560 Q :    0.664500
 561 Q :   -1.329000
 562 Q :    0.664500
 563 Q :    0.664500
 564 Q :   -1.329000
 565 Q :    0.664500
 566 Q :    0.664500
 567 Q :   -1.329000
 568 Q :    0.664500
 569 Q :    0.664500
 570 Q :   -1.329000
 571 Q :    0.664500
 572 Q :    0.664500
 573 Q :   -1.329000
 574 Q :    0.664500
 575 Q :    0.664500
 576 Q :   -1.329000
 577 Q :    0.664500
 578 Q :    0.664500
 579 Q :   -1.329000
 580 Q :    0.664500
 581 Q :    0.664500
 582 Q :   -1.329000
 583 Q :    0.664500
 584 Q :    0.664500
 585 Q :   -1.329000
 586 Q :    0.664500
 587 Q :    0.664500
 588 Q :   -1.329000
 589 Q :    0.664500
 590 Q :    0.664500
 591 Q :   -1.329000
 592 Q :    0.664500
 593 Q :    0.664500
 594 Q :   -1.329000
 595 Q :    0.664500
 596 Q :    0.664500
 597 Q :   -1.329000
 598 Q :    0.664500
 599 Q :    0.664500
 600 Q :   -1.329000
 601 Q :    0.664500
 602 Q :    0.664500
 603 Q :   -1.329000
 604 Q :    0.664500
 605 Q :    0.664500
 606 Q :   -1.329000
 607 Q :    0.664500
 608 Q :    0.664500
 609 Q :   -1.329000
 610 Q :    0.664500
 611 Q :    0.664500
 612 Q :   -1.329000
 613 Q :    0.664500
 614 Q :    0.664500
 615 Q :   -1.329000
 616 Q :    0.664500
 617 Q :    0.664500
 618 Q :   -1.329000
 619 Q :    0.664500
 620 Q :    0.664500
 621 Q :   -1.329000
 622 Q :    0.664500
 623 Q :    0.664500
 624 Q :   -1.329000
 625 Q :    0.664500
 626 Q :    0.664500
 627 Q :   -1.329000
 628 Q :    0.664500
 629 Q :    0.664500
 630 Q :   -1.329000

-------------------------------
LOEWDIN REDUCED ORBITAL CHARGES
-------------------------------
  0 C s       :     2.589552  s :     2.589552
      pz      :     0.846942  p :     2.515361
      px      :     0.849434
      py      :     0.818985
      dz2     :     0.237934  d :     1.025055
      dxz     :     0.187752
      dyz     :     0.246236
      dx2y2   :     0.238729
      dxy     :     0.114404
      f0      :     0.086151  f :     0.467716
      f+1     :     0.054420
      f-1     :     0.091111
      f+2     :     0.083732
      f-2     :     0.074790
      f+3     :     0.033955
      f-3     :     0.043557
  1 H s       :     0.662157  s :     0.662157
      pz      :     0.033042  p :     0.132032
      px      :     0.066760
      py      :     0.032229
      dz2     :     0.002809  d :     0.024544
      dxz     :     0.006972
      dyz     :     0.001151
      dx2y2   :     0.007658
      dxy     :     0.005954
  2 H s       :     0.667209  s :     0.667209
      pz      :     0.038928  p :     0.154617
      px      :     0.039590
      py      :     0.076099
      dz2     :     0.003741  d :     0.026971
      dxz     :     0.001390
      dyz     :     0.007697
      dx2y2   :     0.007218
      dxy     :     0.006925
  3 C s       :     2.569751  s :     2.569751
      pz      :     0.884489  p :     2.599440
      px      :     0.858446
      py      :     0.856505
      dz2     :     0.251207  d :     0.916444
      dxz     :     0.171243
      dyz     :     0.178977
      dx2y2   :     0.238342
      dxy     :     0.076674
      f0      :     0.082179  f :     0.376039
      f+1     :     0.049165
      f-1     :     0.069612
      f+2     :     0.074679
      f-2     :     0.042061
      f+3     :     0.024578
      f-3     :     0.033764
  4 H s       :     0.641040  s :     0.641040
      pz      :     0.032709  p :     0.139408
      px      :     0.068898
      py      :     0.037801
      dz2     :     0.002774  d :     0.025981
      dxz     :     0.007430
      dyz     :     0.000235
      dx2y2   :     0.007886
      dxy     :     0.007657
  5 H s       :     0.638418  s :     0.638418
      pz      :     0.037669  p :     0.140082
      px      :     0.036194
      py      :     0.066219
      dz2     :     0.003312  d :     0.025858
      dxz     :     0.000543
      dyz     :     0.007984
      dx2y2   :     0.006909
      dxy     :     0.007110
  6 C s       :     2.566571  s :     2.566571
      pz      :     0.847362  p :     2.580041
      px      :     0.851877
      py      :     0.880801
      dz2     :     0.224040  d :     0.915715
      dxz     :     0.089942
      dyz     :     0.190887
      dx2y2   :     0.247637
      dxy     :     0.163209
      f0      :     0.056743  f :     0.387740
      f+1     :     0.033458
      f-1     :     0.061357
      f+2     :     0.067596
      f-2     :     0.036200
      f+3     :     0.057530
      f-3     :     0.074858
  7 H s       :     0.639354  s :     0.639354
      pz      :     0.034066  p :     0.137914
      px      :     0.071001
      py      :     0.032846
      dz2     :     0.002717  d :     0.025894
      dxz     :     0.007631
      dyz     :     0.000124
      dx2y2   :     0.007809
      dxy     :     0.007613
  8 H s       :     0.633838  s :     0.633838
      pz      :     0.066583  p :     0.143175
      px      :     0.038483
      py      :     0.038109
      dz2     :     0.008845  d :     0.026339
      dxz     :     0.006484
      dyz     :     0.007928
      dx2y2   :     0.002141
      dxy     :     0.000941
  9 C s       :     2.575840  s :     2.575840
      pz      :     0.795989  p :     2.515264
      px      :     0.841856
      py      :     0.877419
      dz2     :     0.219347  d :     1.075373
      dxz     :     0.133713
      dyz     :     0.271562
      dx2y2   :     0.276449
      dxy     :     0.174302
      f0      :     0.079057  f :     0.503064
      f+1     :     0.050194
      f-1     :     0.062635
      f+2     :     0.110079
      f-2     :     0.067282
      f+3     :     0.059125
      f-3     :     0.074691
 10 H s       :     0.646584  s :     0.646584
      pz      :     0.031432  p :     0.146335
      px      :     0.082189
      py      :     0.032714
      dz2     :     0.003074  d :     0.026001
      dxz     :     0.007552
      dyz     :     0.000708
      dx2y2   :     0.007303
      dxy     :     0.007364
 11 H s       :     0.675877  s :     0.675877
      pz      :     0.064090  p :     0.144372
      px      :     0.037220
      py      :     0.043061
      dz2     :     0.008433  d :     0.027896
      dxz     :     0.006591
      dyz     :     0.008259
      dx2y2   :     0.002913
      dxy     :     0.001700
 12 O s       :     3.119211  s :     3.119211
      pz      :     1.227377  p :     4.185492
      px      :     1.465460
      py      :     1.492654
      dz2     :     0.097081  d :     0.337201
      dxz     :     0.060459
      dyz     :     0.070996
      dx2y2   :     0.060404
      dxy     :     0.048261
      f0      :     0.013257  f :     0.078143
      f+1     :     0.013374
      f-1     :     0.010587
      f+2     :     0.015168
      f-2     :     0.013334
      f+3     :     0.005792
      f-3     :     0.006630
 13 H s       :     0.545572  s :     0.545572
      pz      :     0.153552  p :     0.386534
      px      :     0.114442
      py      :     0.118541
      dz2     :     0.025227  d :     0.090650
      dxz     :     0.024041
      dyz     :     0.024317
      dx2y2   :     0.009635
      dxy     :     0.007429
 14 O s       :     3.148400  s :     3.148400
      pz      :     1.268148  p :     4.193879
      px      :     1.485891
      py      :     1.439839
      dz2     :     0.096542  d :     0.334654
      dxz     :     0.052620
      dyz     :     0.052313
      dx2y2   :     0.094670
      dxy     :     0.038510
      f0      :     0.006910  f :     0.072104
      f+1     :     0.009875
      f-1     :     0.016606
      f+2     :     0.010852
      f-2     :     0.009777
      f+3     :     0.008033
      f-3     :     0.010052
 15 H s       :     0.550029  s :     0.550029
      pz      :     0.167757  p :     0.359137
      px      :     0.108520
      py      :     0.082860
      dz2     :     0.025539  d :     0.083421
      dxz     :     0.025509
      dyz     :     0.021710
      dx2y2   :     0.006052
      dxy     :     0.004610
 16 O s       :     3.149852  s :     3.149852
      pz      :     1.302849  p :     4.371405
      px      :     1.603769
      py      :     1.464787
      dz2     :     0.024580  d :     0.126293
      dxz     :     0.012003
      dyz     :     0.047309
      dx2y2   :     0.035596
      dxy     :     0.006805
      f0      :     0.004525  f :     0.021222
      f+1     :     0.001744
      f-1     :     0.004456
      f+2     :     0.006495
      f-2     :     0.000877
      f+3     :     0.000877
      f-3     :     0.002249
 17 H s       :     0.628995  s :     0.628995
      pz      :     0.153925  p :     0.379008
      px      :     0.117847
      py      :     0.107236
      dz2     :     0.029942  d :     0.101806
      dxz     :     0.032223
      dyz     :     0.031376
      dx2y2   :     0.003739
      dxy     :     0.004526
 18 H s       :     0.610979  s :     0.610979
      pz      :     0.129513  p :     0.447044
      px      :     0.118698
      py      :     0.198834
      dz2     :     0.022512  d :     0.104272
      dxz     :     0.013998
      dyz     :     0.024000
      dx2y2   :     0.019075
      dxy     :     0.024687
 19 O s       :     3.162199  s :     3.162199
      pz      :     1.410287  p :     4.401560
      px      :     1.504285
      py      :     1.486989
      dz2     :     0.006478  d :     0.111054
      dxz     :     0.037763
      dyz     :     0.034483
      dx2y2   :     0.018902
      dxy     :     0.013428
      f0      :     0.002423  f :     0.020404
      f+1     :     0.002129
      f-1     :     0.001775
      f+2     :     0.005033
      f-2     :     0.005086
      f+3     :     0.002858
      f-3     :     0.001101
 20 H s       :     0.600087  s :     0.600087
      pz      :     0.149554  p :     0.433313
      px      :     0.185544
      py      :     0.098215
      dz2     :     0.022765  d :     0.094400
      dxz     :     0.024167
      dyz     :     0.012780
      dx2y2   :     0.017594
      dxy     :     0.017093
 21 H s       :     0.631383  s :     0.631383
      pz      :     0.127798  p :     0.400921
      px      :     0.117617
      py      :     0.155506
      dz2     :     0.025878  d :     0.107861
      dxz     :     0.017829
      dyz     :     0.022713
      dx2y2   :     0.020503
      dxy     :     0.020939
 22 O s       :     3.180298  s :     3.180298
      pz      :     1.527968  p :     4.415232
      px      :     1.502874
      py      :     1.384391
      dz2     :     0.019767  d :     0.112620
      dxz     :     0.022383
      dyz     :     0.020168
      dx2y2   :     0.004572
      dxy     :     0.045730
      f0      :     0.002718  f :     0.020400
      f+1     :     0.000978
      f-1     :     0.001994
      f+2     :     0.000606
      f-2     :     0.005662
      f+3     :     0.003543
      f-3     :     0.004899
 23 H s       :     0.617488  s :     0.617488
      pz      :     0.131348  p :     0.442657
      px      :     0.178366
      py      :     0.132943
      dz2     :     0.015913  d :     0.106424
      dxz     :     0.019377
      dyz     :     0.016900
      dx2y2   :     0.029637
      dxy     :     0.024598
 24 H s       :     0.580192  s :     0.580192
      pz      :     0.120543  p :     0.457987
      px      :     0.187244
      py      :     0.150200
      dz2     :     0.016460  d :     0.100170
      dxz     :     0.018571
      dyz     :     0.015251
      dx2y2   :     0.026258
      dxy     :     0.023630
 25 O s       :     3.176609  s :     3.176609
      pz      :     1.328361  p :     4.439646
      px      :     1.496850
      py      :     1.614435
      dz2     :     0.031414  d :     0.145261
      dxz     :     0.070411
      dyz     :     0.010352
      dx2y2   :     0.020097
      dxy     :     0.012987
      f0      :     0.003082  f :     0.020182
      f+1     :     0.006427
      f-1     :     0.000825
      f+2     :     0.003888
      f-2     :     0.003191
      f+3     :     0.000923
      f-3     :     0.001846
 26 H s       :     0.609733  s :     0.609733
      pz      :     0.114059  p :     0.386365
      px      :     0.153982
      py      :     0.118325
      dz2     :     0.019647  d :     0.094806
      dxz     :     0.020695
      dyz     :     0.012678
      dx2y2   :     0.020773
      dxy     :     0.021012
 27 H s       :     0.601140  s :     0.601140
      pz      :     0.184525  p :     0.424649
      px      :     0.131017
      py      :     0.109108
      dz2     :     0.029198  d :     0.097885
      dxz     :     0.029966
      dyz     :     0.026823
      dx2y2   :     0.005367
      dxy     :     0.006530
 28 O s       :     3.223400  s :     3.223400
      pz      :     1.383877  p :     4.451752
      px      :     1.601811
      py      :     1.466064
      dz2     :     0.039529  d :     0.114182
      dxz     :     0.010671
      dyz     :     0.017170
      dx2y2   :     0.031873
      dxy     :     0.014939
      f0      :     0.007354  f :     0.020166
      f+1     :     0.001635
      f-1     :     0.003386
      f+2     :     0.001724
      f-2     :     0.000868
      f+3     :     0.003739
      f-3     :     0.001460
 29 H s       :     0.618679  s :     0.618679
      pz      :     0.171914  p :     0.362904
      px      :     0.101740
      py      :     0.089250
      dz2     :     0.033461  d :     0.094973
      dxz     :     0.031459
      dyz     :     0.028307
      dx2y2   :     0.000717
      dxy     :     0.001029
 30 H s       :     0.590967  s :     0.590967
      pz      :     0.095961  p :     0.384643
      px      :     0.109895
      py      :     0.178787
      dz2     :     0.013991  d :     0.089345
      dxz     :     0.005361
      dyz     :     0.019069
      dx2y2   :     0.025387
      dxy     :     0.025537
 31 O s       :     3.153658  s :     3.153658
      pz      :     1.416195  p :     4.411855
      px      :     1.364365
      py      :     1.631296
      dz2     :     0.042937  d :     0.123552
      dxz     :     0.019447
      dyz     :     0.006157
      dx2y2   :     0.040127
      dxy     :     0.014883
      f0      :     0.005399  f :     0.020675
      f+1     :     0.005858
      f-1     :     0.001214
      f+2     :     0.000468
      f-2     :     0.000673
      f+3     :     0.003375
      f-3     :     0.003688
 32 H s       :     0.584457  s :     0.584457
      pz      :     0.217550  p :     0.424267
      px      :     0.096746
      py      :     0.109971
      dz2     :     0.034735  d :     0.097370
      dxz     :     0.025092
      dyz     :     0.031825
      dx2y2   :     0.002918
      dxy     :     0.002801
 33 H s       :     0.622033  s :     0.622033
      pz      :     0.094745  p :     0.427523
      px      :     0.204532
      py      :     0.128247
      dz2     :     0.009836  d :     0.106818
      dxz     :     0.029520
      dyz     :     0.002187
      dx2y2   :     0.028394
      dxy     :     0.036881
 34 O s       :     3.189297  s :     3.189297
      pz      :     1.435325  p :     4.429986
      px      :     1.548772
      py      :     1.445889
      dz2     :     0.007211  d :     0.108958
      dxz     :     0.031649
      dyz     :     0.042409
      dx2y2   :     0.015599
      dxy     :     0.012090
      f0      :     0.002394  f :     0.020886
      f+1     :     0.002266
      f-1     :     0.002540
      f+2     :     0.004735
      f-2     :     0.004860
      f+3     :     0.002676
      f-3     :     0.001416
 35 H s       :     0.596291  s :     0.596291
      pz      :     0.162712  p :     0.433309
      px      :     0.166370
      py      :     0.104227
      dz2     :     0.022857  d :     0.092232
      dxz     :     0.024125
      dyz     :     0.013319
      dx2y2   :     0.017235
      dxy     :     0.014696
 36 H s       :     0.624554  s :     0.624554
      pz      :     0.111174  p :     0.367230
      px      :     0.107863
      py      :     0.148194
      dz2     :     0.020303  d :     0.098127
      dxz     :     0.012714
      dyz     :     0.022490
      dx2y2   :     0.020949
      dxy     :     0.021671
 37 O s       :     3.194799  s :     3.194799
      pz      :     1.541498  p :     4.419075
      px      :     1.539381
      py      :     1.338195
      dz2     :     0.021890  d :     0.085837
      dxz     :     0.014566
      dyz     :     0.018194
      dx2y2   :     0.020220
      dxy     :     0.010967
      f0      :     0.004060  f :     0.020438
      f+1     :     0.001137
      f-1     :     0.001451
      f+2     :     0.004774
      f-2     :     0.003955
      f+3     :     0.000321
      f-3     :     0.004741
 38 H s       :     0.623353  s :     0.623353
      pz      :     0.116648  p :     0.372791
      px      :     0.100471
      py      :     0.155672
      dz2     :     0.011950  d :     0.099308
      dxz     :     0.002875
      dyz     :     0.032803
      dx2y2   :     0.021865
      dxy     :     0.029814
 39 H s       :     0.634903  s :     0.634903
      pz      :     0.133685  p :     0.374023
      px      :     0.149524
      py      :     0.090814
      dz2     :     0.019765  d :     0.098594
      dxz     :     0.023190
      dyz     :     0.013410
      dx2y2   :     0.025221
      dxy     :     0.017008
 40 O s       :     3.236781  s :     3.236781
      pz      :     1.452359  p :     4.534255
      px      :     1.609512
      py      :     1.472384
      dz2     :     0.016956  d :     0.058644
      dxz     :     0.016479
      dyz     :     0.006799
      dx2y2   :     0.013234
      dxy     :     0.005176
      f0      :     0.001936  f :     0.016161
      f+1     :     0.004193
      f-1     :     0.002206
      f+2     :     0.003532
      f-2     :     0.000316
      f+3     :     0.001250
      f-3     :     0.002728
 41 H s       :     0.598947  s :     0.598947
      pz      :     0.081681  p :     0.347833
      px      :     0.095451
      py      :     0.170702
      dz2     :     0.012102  d :     0.090234
      dxz     :     0.003351
      dyz     :     0.022947
      dx2y2   :     0.025329
      dxy     :     0.026503
 42 H s       :     0.635224  s :     0.635224
      pz      :     0.154200  p :     0.368797
      px      :     0.126348
      py      :     0.088249
      dz2     :     0.032613  d :     0.096079
      dxz     :     0.026370
      dyz     :     0.020894
      dx2y2   :     0.008499
      dxy     :     0.007704
 43 O s       :     3.194181  s :     3.194181
      pz      :     1.582957  p :     4.436203
      px      :     1.511826
      py      :     1.341419
      dz2     :     0.010311  d :     0.105394
      dxz     :     0.013382
      dyz     :     0.031959
      dx2y2   :     0.020360
      dxy     :     0.029382
      f0      :     0.001716  f :     0.018109
      f+1     :     0.001536
      f-1     :     0.000893
      f+2     :     0.003456
      f-2     :     0.003801
      f+3     :     0.001424
      f-3     :     0.005283
 44 H s       :     0.610436  s :     0.610436
      pz      :     0.150061  p :     0.477668
      px      :     0.107509
      py      :     0.220098
      dz2     :     0.018111  d :     0.102037
      dxz     :     0.006325
      dyz     :     0.030533
      dx2y2   :     0.019640
      dxy     :     0.027427
 45 H s       :     0.599851  s :     0.599851
      pz      :     0.098169  p :     0.343936
      px      :     0.151966
      py      :     0.093801
      dz2     :     0.009422  d :     0.090955
      dxz     :     0.019270
      dyz     :     0.012544
      dx2y2   :     0.028206
      dxy     :     0.021514
 46 O s       :     3.171288  s :     3.171288
      pz      :     1.654304  p :     4.440024
      px      :     1.437443
      py      :     1.348277
      dz2     :     0.012808  d :     0.083560
      dxz     :     0.012354
      dyz     :     0.003050
      dx2y2   :     0.041987
      dxy     :     0.013361
      f0      :     0.001488  f :     0.018629
      f+1     :     0.002083
      f-1     :     0.002018
      f+2     :     0.000379
      f-2     :     0.000656
      f+3     :     0.003913
      f-3     :     0.008090
 47 H s       :     0.613121  s :     0.613121
      pz      :     0.117258  p :     0.432727
      px      :     0.226696
      py      :     0.088773
      dz2     :     0.008390  d :     0.102950
      dxz     :     0.034145
      dyz     :     0.003471
      dx2y2   :     0.031619
      dxy     :     0.025325
 48 H s       :     0.632026  s :     0.632026
      pz      :     0.121075  p :     0.388070
      px      :     0.094613
      py      :     0.172381
      dz2     :     0.008306  d :     0.103782
      dxz     :     0.000043
      dyz     :     0.038054
      dx2y2   :     0.024980
      dxy     :     0.032399
 49 O s       :     3.230657  s :     3.230657
      pz      :     1.437622  p :     4.455803
      px      :     1.565258
      py      :     1.452922
      dz2     :     0.029981  d :     0.081942
      dxz     :     0.014163
      dyz     :     0.013149
      dx2y2   :     0.006612
      dxy     :     0.018037
      f0      :     0.006126  f :     0.020211
      f+1     :     0.003046
      f-1     :     0.004690
      f+2     :     0.000541
      f-2     :     0.001847
      f+3     :     0.003073
      f-3     :     0.000888
 50 H s       :     0.604367  s :     0.604367
      pz      :     0.088396  p :     0.339261
      px      :     0.117568
      py      :     0.133297
      dz2     :     0.007584  d :     0.088825
      dxz     :     0.010464
      dyz     :     0.019405
      dx2y2   :     0.028651
      dxy     :     0.022721
 51 H s       :     0.630781  s :     0.630781
      pz      :     0.182301  p :     0.391932
      px      :     0.108989
      py      :     0.100642
      dz2     :     0.036719  d :     0.102252
      dxz     :     0.030200
      dyz     :     0.027354
      dx2y2   :     0.004044
      dxy     :     0.003934
 52 O s       :     3.132817  s :     3.132817
      pz      :     1.469409  p :     4.379391
      px      :     1.344553
      py      :     1.565429
      dz2     :     0.011296  d :     0.101545
      dxz     :     0.054012
      dyz     :     0.012662
      dx2y2   :     0.010021
      dxy     :     0.013553
      f0      :     0.002681  f :     0.020162
      f+1     :     0.006586
      f-1     :     0.001439
      f+2     :     0.002856
      f-2     :     0.003873
      f+3     :     0.001595
      f-3     :     0.001132
 53 H s       :     0.635083  s :     0.635083
      pz      :     0.203075  p :     0.479951
      px      :     0.135363
      py      :     0.141513
      dz2     :     0.035923  d :     0.120892
      dxz     :     0.025576
      dyz     :     0.026966
      dx2y2   :     0.015962
      dxy     :     0.016465
 54 H s       :     0.616982  s :     0.616982
      pz      :     0.133335  p :     0.396797
      px      :     0.133189
      py      :     0.130273
      dz2     :     0.017068  d :     0.108725
      dxz     :     0.026747
      dyz     :     0.014618
      dx2y2   :     0.028104
      dxy     :     0.022188
 55 O s       :     3.192186  s :     3.192186
      pz      :     1.485734  p :     4.442810
      px      :     1.342197
      py      :     1.614878
      dz2     :     0.020128  d :     0.093889
      dxz     :     0.026236
      dyz     :     0.016289
      dx2y2   :     0.016824
      dxy     :     0.014412
      f0      :     0.000538  f :     0.018762
      f+1     :     0.005134
      f-1     :     0.003336
      f+2     :     0.000981
      f-2     :     0.004022
      f+3     :     0.001488
      f-3     :     0.003264
 56 H s       :     0.605161  s :     0.605161
      pz      :     0.211541  p :     0.444361
      px      :     0.095316
      py      :     0.137504
      dz2     :     0.031114  d :     0.094687
      dxz     :     0.017707
      dyz     :     0.023440
      dx2y2   :     0.011536
      dxy     :     0.010890
 57 H s       :     0.625317  s :     0.625317
      pz      :     0.092209  p :     0.368931
      px      :     0.158889
      py      :     0.117833
      dz2     :     0.009411  d :     0.097000
      dxz     :     0.026992
      dyz     :     0.002986
      dx2y2   :     0.026170
      dxy     :     0.031440
 58 O s       :     3.200217  s :     3.200217
      pz      :     1.426927  p :     4.503762
      px      :     1.620756
      py      :     1.456079
      dz2     :     0.035818  d :     0.080910
      dxz     :     0.008071
      dyz     :     0.008127
      dx2y2   :     0.018848
      dxy     :     0.010046
      f0      :     0.005304  f :     0.018849
      f+1     :     0.002498
      f-1     :     0.004127
      f+2     :     0.001672
      f-2     :     0.000604
      f+3     :     0.002288
      f-3     :     0.002357
 59 H s       :     0.622686  s :     0.622686
      pz      :     0.237258  p :     0.478557
      px      :     0.131115
      py      :     0.110184
      dz2     :     0.035938  d :     0.112022
      dxz     :     0.034842
      dyz     :     0.034361
      dx2y2   :     0.003072
      dxy     :     0.003809
 60 H s       :     0.578877  s :     0.578877
      pz      :     0.084283  p :     0.464033
      px      :     0.111800
      py      :     0.267951
      dz2     :     0.011234  d :     0.094665
      dxz     :     0.003540
      dyz     :     0.023951
      dx2y2   :     0.027523
      dxy     :     0.028417
 61 O s       :     3.212538  s :     3.212538
      pz      :     1.490027  p :     4.520837
      px      :     1.344230
      py      :     1.686580
      dz2     :     0.019374  d :     0.064418
      dxz     :     0.019594
      dyz     :     0.001198
      dx2y2   :     0.021499
      dxy     :     0.002753
      f0      :     0.003737  f :     0.016764
      f+1     :     0.006630
      f-1     :     0.000371
      f+2     :     0.001740
      f-2     :     0.000295
      f+3     :     0.002956
      f-3     :     0.001035
 62 H s       :     0.583905  s :     0.583905
      pz      :     0.090914  p :     0.427410
      px      :     0.228639
      py      :     0.107857
      dz2     :     0.007600  d :     0.091626
      dxz     :     0.028760
      dyz     :     0.001173
      dx2y2   :     0.022932
      dxy     :     0.031160
 63 H s       :     0.626737  s :     0.626737
      pz      :     0.175535  p :     0.384808
      px      :     0.091059
      py      :     0.118214
      dz2     :     0.034727  d :     0.101170
      dxz     :     0.023311
      dyz     :     0.029326
      dx2y2   :     0.006185
      dxy     :     0.007620
 64 O s       :     3.175649  s :     3.175649
      pz      :     1.540619  p :     4.467890
      px      :     1.451554
      py      :     1.475716
      dz2     :     0.017613  d :     0.087146
      dxz     :     0.003548
      dyz     :     0.018385
      dx2y2   :     0.028884
      dxy     :     0.018717
      f0      :     0.000132  f :     0.016143
      f+1     :     0.002603
      f-1     :     0.004040
      f+2     :     0.003179
      f-2     :     0.000428
      f+3     :     0.001319
      f-3     :     0.004443
 65 H s       :     0.633458  s :     0.633458
      pz      :     0.099234  p :     0.385086
      px      :     0.171220
      py      :     0.114632
      dz2     :     0.008587  d :     0.101903
      dxz     :     0.023558
      dyz     :     0.008907
      dx2y2   :     0.034548
      dxy     :     0.026302
 66 H s       :     0.618722  s :     0.618722
      pz      :     0.154054  p :     0.373396
      px      :     0.086620
      py      :     0.132722
      dz2     :     0.030639  d :     0.098687
      dxz     :     0.015691
      dyz     :     0.025442
      dx2y2   :     0.013501
      dxy     :     0.013415
 67 O s       :     3.208355  s :     3.208355
      pz      :     1.647889  p :     4.477586
      px      :     1.292718
      py      :     1.536979
      dz2     :     0.027200  d :     0.126081
      dxz     :     0.020175
      dyz     :     0.015947
      dx2y2   :     0.025606
      dxy     :     0.037153
      f0      :     0.002653  f :     0.018979
      f+1     :     0.002911
      f-1     :     0.000856
      f+2     :     0.000677
      f-2     :     0.004021
      f+3     :     0.005456
      f-3     :     0.002406
 68 H s       :     0.617129  s :     0.617129
      pz      :     0.136770  p :     0.402781
      px      :     0.116769
      py      :     0.149242
      dz2     :     0.015888  d :     0.098348
      dxz     :     0.015862
      dyz     :     0.018342
      dx2y2   :     0.025508
      dxy     :     0.022747
 69 H s       :     0.574231  s :     0.574231
      pz      :     0.087293  p :     0.411771
      px      :     0.240260
      py      :     0.084218
      dz2     :     0.008079  d :     0.080553
      dxz     :     0.025381
      dyz     :     0.000817
      dx2y2   :     0.021759
      dxy     :     0.024517
 70 O s       :     3.174821  s :     3.174821
      pz      :     1.641431  p :     4.489242
      px      :     1.425848
      py      :     1.421963
      dz2     :     0.009566  d :     0.079891
      dxz     :     0.011046
      dyz     :     0.006572
      dx2y2   :     0.032949
      dxy     :     0.019759
      f0      :     0.001466  f :     0.014735
      f+1     :     0.001197
      f-1     :     0.002000
      f+2     :     0.001753
      f-2     :     0.000792
      f+3     :     0.004051
      f-3     :     0.003476
 71 H s       :     0.637508  s :     0.637508
      pz      :     0.128573  p :     0.391434
      px      :     0.174808
      py      :     0.088054
      dz2     :     0.014002  d :     0.103140
      dxz     :     0.033007
      dyz     :     0.004224
      dx2y2   :     0.027128
      dxy     :     0.024779
 72 H s       :     0.611006  s :     0.611006
      pz      :     0.123602  p :     0.465328
      px      :     0.111462
      py      :     0.230263
      dz2     :     0.009306  d :     0.101640
      dxz     :     0.003550
      dyz     :     0.032923
      dx2y2   :     0.029706
      dxy     :     0.026155
 73 O s       :     3.148279  s :     3.148279
      pz      :     1.446945  p :     4.403964
      px      :     1.323972
      py      :     1.633046
      dz2     :     0.019439  d :     0.082334
      dxz     :     0.026312
      dyz     :     0.008615
      dx2y2   :     0.023090
      dxy     :     0.004879
      f0      :     0.003433  f :     0.018628
      f+1     :     0.007090
      f-1     :     0.000937
      f+2     :     0.001977
      f-2     :     0.000901
      f+3     :     0.002882
      f-3     :     0.001408
 74 H s       :     0.616483  s :     0.616483
      pz      :     0.172189  p :     0.381537
      px      :     0.090949
      py      :     0.118400
      dz2     :     0.035483  d :     0.103376
      dxz     :     0.023164
      dyz     :     0.029222
      dx2y2   :     0.007297
      dxy     :     0.008209
 75 H s       :     0.640628  s :     0.640628
      pz      :     0.124592  p :     0.463882
      px      :     0.202728
      py      :     0.136562
      dz2     :     0.008991  d :     0.116056
      dxz     :     0.038867
      dyz     :     0.001935
      dx2y2   :     0.024310
      dxy     :     0.041953
 76 O s       :     3.186156  s :     3.186156
      pz      :     1.533772  p :     4.431370
      px      :     1.365170
      py      :     1.532428
      dz2     :     0.008051  d :     0.090194
      dxz     :     0.029299
      dyz     :     0.014406
      dx2y2   :     0.019001
      dxy     :     0.019437
      f0      :     0.002264  f :     0.017276
      f+1     :     0.001550
      f-1     :     0.000727
      f+2     :     0.004368
      f-2     :     0.004430
      f+3     :     0.003578
      f-3     :     0.000360
 77 H s       :     0.622822  s :     0.622822
      pz      :     0.123007  p :     0.382535
      px      :     0.110117
      py      :     0.149411
      dz2     :     0.014177  d :     0.102220
      dxz     :     0.017705
      dyz     :     0.019572
      dx2y2   :     0.030361
      dxy     :     0.020405
 78 H s       :     0.605433  s :     0.605433
      pz      :     0.129681  p :     0.413684
      px      :     0.188846
      py      :     0.095157
      dz2     :     0.018356  d :     0.093691
      dxz     :     0.027755
      dyz     :     0.008827
      dx2y2   :     0.018172
      dxy     :     0.020581
 79 O s       :     3.214746  s :     3.214746
      pz      :     1.301886  p :     4.482640
      px      :     1.655123
      py      :     1.525632
      dz2     :     0.019072  d :     0.097833
      dxz     :     0.013785
      dyz     :     0.049969
      dx2y2   :     0.005274
      dxy     :     0.009733
      f0      :     0.001850  f :     0.018831
      f+1     :     0.001866
      f-1     :     0.007119
      f+2     :     0.002591
      f-2     :     0.003674
      f+3     :     0.001021
      f-3     :     0.000709
 80 H s       :     0.588721  s :     0.588721
      pz      :     0.161065  p :     0.484045
      px      :     0.130939
      py      :     0.192040
      dz2     :     0.021378  d :     0.095485
      dxz     :     0.015527
      dyz     :     0.022158
      dx2y2   :     0.018379
      dxy     :     0.018043
 81 H s       :     0.618967  s :     0.618967
      pz      :     0.131972  p :     0.379033
      px      :     0.117378
      py      :     0.129683
      dz2     :     0.026452  d :     0.098435
      dxz     :     0.026613
      dyz     :     0.028833
      dx2y2   :     0.008282
      dxy     :     0.008255
 82 O s       :     3.230916  s :     3.230916
      pz      :     1.564528  p :     4.541749
      px      :     1.327533
      py      :     1.649688
      dz2     :     0.009699  d :     0.071446
      dxz     :     0.022406
      dyz     :     0.010334
      dx2y2   :     0.018246
      dxy     :     0.010761
      f0      :     0.001866  f :     0.016494
      f+1     :     0.002851
      f-1     :     0.001214
      f+2     :     0.003254
      f-2     :     0.003061
      f+3     :     0.003291
      f-3     :     0.000957
 83 H s       :     0.640972  s :     0.640972
      pz      :     0.113374  p :     0.381610
      px      :     0.156048
      py      :     0.112188
      dz2     :     0.010666  d :     0.099582
      dxz     :     0.030812
      dyz     :     0.004226
      dx2y2   :     0.023700
      dxy     :     0.030178
 84 H s       :     0.599922  s :     0.599922
      pz      :     0.141697  p :     0.358819
      px      :     0.097655
      py      :     0.119467
      dz2     :     0.021533  d :     0.086540
      dxz     :     0.019394
      dyz     :     0.018450
      dx2y2   :     0.014045
      dxy     :     0.013120
 85 O s       :     3.263249  s :     3.263249
      pz      :     1.568580  p :     4.556928
      px      :     1.396805
      py      :     1.591542
      dz2     :     0.007286  d :     0.061660
      dxz     :     0.008796
      dyz     :     0.015392
      dx2y2   :     0.020040
      dxy     :     0.010147
      f0      :     0.000524  f :     0.017756
      f+1     :     0.002675
      f-1     :     0.002831
      f+2     :     0.003013
      f-2     :     0.002350
      f+3     :     0.002082
      f-3     :     0.004280
 86 H s       :     0.622777  s :     0.622777
      pz      :     0.137474  p :     0.370401
      px      :     0.086403
      py      :     0.146523
      dz2     :     0.027127  d :     0.097298
      dxz     :     0.013379
      dyz     :     0.025167
      dx2y2   :     0.017605
      dxy     :     0.014021
 87 H s       :     0.602196  s :     0.602196
      pz      :     0.087708  p :     0.354976
      px      :     0.168870
      py      :     0.098398
      dz2     :     0.009097  d :     0.083095
      dxz     :     0.022469
      dyz     :     0.003051
      dx2y2   :     0.021763
      dxy     :     0.026714
 88 O s       :     3.165125  s :     3.165125
      pz      :     1.519822  p :     4.407605
      px      :     1.339378
      py      :     1.548405
      dz2     :     0.009370  d :     0.081542
      dxz     :     0.013672
      dyz     :     0.023500
      dx2y2   :     0.012954
      dxy     :     0.022046
      f0      :     0.000349  f :     0.019394
      f+1     :     0.003514
      f-1     :     0.002909
      f+2     :     0.001015
      f-2     :     0.005148
      f+3     :     0.001592
      f-3     :     0.004866
 89 H s       :     0.630996  s :     0.630996
      pz      :     0.105957  p :     0.390245
      px      :     0.154174
      py      :     0.130114
      dz2     :     0.008955  d :     0.105001
      dxz     :     0.029554
      dyz     :     0.005445
      dx2y2   :     0.028296
      dxy     :     0.032751
 90 H s       :     0.626340  s :     0.626340
      pz      :     0.147613  p :     0.383828
      px      :     0.097397
      py      :     0.138818
      dz2     :     0.030113  d :     0.103371
      dxz     :     0.017404
      dyz     :     0.022334
      dx2y2   :     0.017574
      dxy     :     0.015946
 91 O s       :     3.215536  s :     3.215536
      pz      :     1.417624  p :     4.533849
      px      :     1.553189
      py      :     1.563035
      dz2     :     0.003796  d :     0.055408
      dxz     :     0.014631
      dyz     :     0.022049
      dx2y2   :     0.007986
      dxy     :     0.006946
      f0      :     0.002037  f :     0.014035
      f+1     :     0.001075
      f-1     :     0.002174
      f+2     :     0.003686
      f-2     :     0.002670
      f+3     :     0.000646
      f-3     :     0.001746
 92 H s       :     0.621462  s :     0.621462
      pz      :     0.122812  p :     0.369783
      px      :     0.096843
      py      :     0.150128
      dz2     :     0.024519  d :     0.095157
      dxz     :     0.014696
      dyz     :     0.024786
      dx2y2   :     0.015521
      dxy     :     0.015635
 93 H s       :     0.608089  s :     0.608089
      pz      :     0.118895  p :     0.359987
      px      :     0.139839
      py      :     0.101253
      dz2     :     0.022855  d :     0.092785
      dxz     :     0.021880
      dyz     :     0.016676
      dx2y2   :     0.015947
      dxy     :     0.015428
 94 O s       :     3.247872  s :     3.247872
      pz      :     1.490862  p :     4.544721
      px      :     1.552930
      py      :     1.500929
      dz2     :     0.007076  d :     0.060077
      dxz     :     0.016777
      dyz     :     0.013300
      dx2y2   :     0.012989
      dxy     :     0.009934
      f0      :     0.001374  f :     0.016558
      f+1     :     0.002751
      f-1     :     0.002152
      f+2     :     0.003111
      f-2     :     0.002104
      f+3     :     0.002940
      f-3     :     0.002125
 95 H s       :     0.602923  s :     0.602923
      pz      :     0.132363  p :     0.343272
      px      :     0.119939
      py      :     0.090970
      dz2     :     0.025825  d :     0.088244
      dxz     :     0.022114
      dyz     :     0.017714
      dx2y2   :     0.010628
      dxy     :     0.011962
 96 H s       :     0.625197  s :     0.625197
      pz      :     0.097923  p :     0.388643
      px      :     0.103900
      py      :     0.186820
      dz2     :     0.013312  d :     0.093793
      dxz     :     0.005680
      dyz     :     0.023592
      dx2y2   :     0.026283
      dxy     :     0.024926
 97 O s       :     3.240925  s :     3.240925
      pz      :     1.659821  p :     4.553125
      px      :     1.437370
      py      :     1.455934
      dz2     :     0.006332  d :     0.053167
      dxz     :     0.011062
      dyz     :     0.001101
      dx2y2   :     0.026169
      dxy     :     0.008502
      f0      :     0.001222  f :     0.016771
      f+1     :     0.001030
      f-1     :     0.001822
      f+2     :     0.003378
      f-2     :     0.000294
      f+3     :     0.005235
      f-3     :     0.003790
 98 H s       :     0.603100  s :     0.603100
      pz      :     0.116748  p :     0.355740
      px      :     0.155530
      py      :     0.083462
      dz2     :     0.015292  d :     0.092198
      dxz     :     0.028114
      dyz     :     0.004667
      dx2y2   :     0.021053
      dxy     :     0.023071
 99 H s       :     0.610336  s :     0.610336
      pz      :     0.103784  p :     0.364415
      px      :     0.085229
      py      :     0.175401
      dz2     :     0.008538  d :     0.094426
      dxz     :     0.002337
      dyz     :     0.030109
      dx2y2   :     0.028493
      dxy     :     0.024949
100 O s       :     3.238163  s :     3.238163
      pz      :     1.633293  p :     4.515344
      px      :     1.311644
      py      :     1.570408
      dz2     :     0.006771  d :     0.066053
      dxz     :     0.013618
      dyz     :     0.006176
      dx2y2   :     0.019200
      dxy     :     0.020288
      f0      :     0.002061  f :     0.017933
      f+1     :     0.000379
      f-1     :     0.000681
      f+2     :     0.002900
      f-2     :     0.004775
      f+3     :     0.003529
      f-3     :     0.003608
101 H s       :     0.620494  s :     0.620494
      pz      :     0.119876  p :     0.395893
      px      :     0.163621
      py      :     0.112397
      dz2     :     0.012027  d :     0.096039
      dxz     :     0.029499
      dyz     :     0.004892
      dx2y2   :     0.020133
      dxy     :     0.029489
102 H s       :     0.610682  s :     0.610682
      pz      :     0.123115  p :     0.360634
      px      :     0.094140
      py      :     0.143379
      dz2     :     0.015473  d :     0.092947
      dxz     :     0.014935
      dyz     :     0.018805
      dx2y2   :     0.024752
      dxy     :     0.018983
103 Q 
104 Q 
105 Q 
106 Q 
107 Q 
108 Q 
109 Q 
110 Q 
111 Q 
112 Q 
113 Q 
114 Q 
115 Q 
116 Q 
117 Q 
118 Q 
119 Q 
120 Q 
121 Q 
122 Q 
123 Q 
124 Q 
125 Q 
126 Q 
127 Q 
128 Q 
129 Q 
130 Q 
131 Q 
132 Q 
133 Q 
134 Q 
135 Q 
136 Q 
137 Q 
138 Q 
139 Q 
140 Q 
141 Q 
142 Q 
143 Q 
144 Q 
145 Q 
146 Q 
147 Q 
148 Q 
149 Q 
150 Q 
151 Q 
152 Q 
153 Q 
154 Q 
155 Q 
156 Q 
157 Q 
158 Q 
159 Q 
160 Q 
161 Q 
162 Q 
163 Q 
164 Q 
165 Q 
166 Q 
167 Q 
168 Q 
169 Q 
170 Q 
171 Q 
172 Q 
173 Q 
174 Q 
175 Q 
176 Q 
177 Q 
178 Q 
179 Q 
180 Q 
181 Q 
182 Q 
183 Q 
184 Q 
185 Q 
186 Q 
187 Q 
188 Q 
189 Q 
190 Q 
191 Q 
192 Q 
193 Q 
194 Q 
195 Q 
196 Q 
197 Q 
198 Q 
199 Q 
200 Q 
201 Q 
202 Q 
203 Q 
204 Q 
205 Q 
206 Q 
207 Q 
208 Q 
209 Q 
210 Q 
211 Q 
212 Q 
213 Q 
214 Q 
215 Q 
216 Q 
217 Q 
218 Q 
219 Q 
220 Q 
221 Q 
222 Q 
223 Q 
224 Q 
225 Q 
226 Q 
227 Q 
228 Q 
229 Q 
230 Q 
231 Q 
232 Q 
233 Q 
234 Q 
235 Q 
236 Q 
237 Q 
238 Q 
239 Q 
240 Q 
241 Q 
242 Q 
243 Q 
244 Q 
245 Q 
246 Q 
247 Q 
248 Q 
249 Q 
250 Q 
251 Q 
252 Q 
253 Q 
254 Q 
255 Q 
256 Q 
257 Q 
258 Q 
259 Q 
260 Q 
261 Q 
262 Q 
263 Q 
264 Q 
265 Q 
266 Q 
267 Q 
268 Q 
269 Q 
270 Q 
271 Q 
272 Q 
273 Q 
274 Q 
275 Q 
276 Q 
277 Q 
278 Q 
279 Q 
280 Q 
281 Q 
282 Q 
283 Q 
284 Q 
285 Q 
286 Q 
287 Q 
288 Q 
289 Q 
290 Q 
291 Q 
292 Q 
293 Q 
294 Q 
295 Q 
296 Q 
297 Q 
298 Q 
299 Q 
300 Q 
301 Q 
302 Q 
303 Q 
304 Q 
305 Q 
306 Q 
307 Q 
308 Q 
309 Q 
310 Q 
311 Q 
312 Q 
313 Q 
314 Q 
315 Q 
316 Q 
317 Q 
318 Q 
319 Q 
320 Q 
321 Q 
322 Q 
323 Q 
324 Q 
325 Q 
326 Q 
327 Q 
328 Q 
329 Q 
330 Q 
331 Q 
332 Q 
333 Q 
334 Q 
335 Q 
336 Q 
337 Q 
338 Q 
339 Q 
340 Q 
341 Q 
342 Q 
343 Q 
344 Q 
345 Q 
346 Q 
347 Q 
348 Q 
349 Q 
350 Q 
351 Q 
352 Q 
353 Q 
354 Q 
355 Q 
356 Q 
357 Q 
358 Q 
359 Q 
360 Q 
361 Q 
362 Q 
363 Q 
364 Q 
365 Q 
366 Q 
367 Q 
368 Q 
369 Q 
370 Q 
371 Q 
372 Q 
373 Q 
374 Q 
375 Q 
376 Q 
377 Q 
378 Q 
379 Q 
380 Q 
381 Q 
382 Q 
383 Q 
384 Q 
385 Q 
386 Q 
387 Q 
388 Q 
389 Q 
390 Q 
391 Q 
392 Q 
393 Q 
394 Q 
395 Q 
396 Q 
397 Q 
398 Q 
399 Q 
400 Q 
401 Q 
402 Q 
403 Q 
404 Q 
405 Q 
406 Q 
407 Q 
408 Q 
409 Q 
410 Q 
411 Q 
412 Q 
413 Q 
414 Q 
415 Q 
416 Q 
417 Q 
418 Q 
419 Q 
420 Q 
421 Q 
422 Q 
423 Q 
424 Q 
425 Q 
426 Q 
427 Q 
428 Q 
429 Q 
430 Q 
431 Q 
432 Q 
433 Q 
434 Q 
435 Q 
436 Q 
437 Q 
438 Q 
439 Q 
440 Q 
441 Q 
442 Q 
443 Q 
444 Q 
445 Q 
446 Q 
447 Q 
448 Q 
449 Q 
450 Q 
451 Q 
452 Q 
453 Q 
454 Q 
455 Q 
456 Q 
457 Q 
458 Q 
459 Q 
460 Q 
461 Q 
462 Q 
463 Q 
464 Q 
465 Q 
466 Q 
467 Q 
468 Q 
469 Q 
470 Q 
471 Q 
472 Q 
473 Q 
474 Q 
475 Q 
476 Q 
477 Q 
478 Q 
479 Q 
480 Q 
481 Q 
482 Q 
483 Q 
484 Q 
485 Q 
486 Q 
487 Q 
488 Q 
489 Q 
490 Q 
491 Q 
492 Q 
493 Q 
494 Q 
495 Q 
496 Q 
497 Q 
498 Q 
499 Q 
500 Q 
501 Q 
502 Q 
503 Q 
504 Q 
505 Q 
506 Q 
507 Q 
508 Q 
509 Q 
510 Q 
511 Q 
512 Q 
513 Q 
514 Q 
515 Q 
516 Q 
517 Q 
518 Q 
519 Q 
520 Q 
521 Q 
522 Q 
523 Q 
524 Q 
525 Q 
526 Q 
527 Q 
528 Q 
529 Q 
530 Q 
531 Q 
532 Q 
533 Q 
534 Q 
535 Q 
536 Q 
537 Q 
538 Q 
539 Q 
540 Q 
541 Q 
542 Q 
543 Q 
544 Q 
545 Q 
546 Q 
547 Q 
548 Q 
549 Q 
550 Q 
551 Q 
552 Q 
553 Q 
554 Q 
555 Q 
556 Q 
557 Q 
558 Q 
559 Q 
560 Q 
561 Q 
562 Q 
563 Q 
564 Q 
565 Q 
566 Q 
567 Q 
568 Q 
569 Q 
570 Q 
571 Q 
572 Q 
573 Q 
574 Q 
575 Q 
576 Q 
577 Q 
578 Q 
579 Q 
580 Q 
581 Q 
582 Q 
583 Q 
584 Q 
585 Q 
586 Q 
587 Q 
588 Q 
589 Q 
590 Q 
591 Q 
592 Q 
593 Q 
594 Q 
595 Q 
596 Q 
597 Q 
598 Q 
599 Q 
600 Q 
601 Q 
602 Q 
603 Q 
604 Q 
605 Q 
606 Q 
607 Q 
608 Q 
609 Q 
610 Q 
611 Q 
612 Q 
613 Q 
614 Q 
615 Q 
616 Q 
617 Q 
618 Q 
619 Q 
620 Q 
621 Q 
622 Q 
623 Q 
624 Q 
625 Q 
626 Q 
627 Q 
628 Q 
629 Q 
630 Q 


                      *****************************
                      * MAYER POPULATION ANALYSIS *
                      *****************************

  NA   - Mulliken gross atomic population
  ZA   - Total nuclear charge
  QA   - Mulliken gross atomic charge
  VA   - Mayer's total valence
  BVA  - Mayer's bonded valence
  FA   - Mayer's free valence

  ATOM       NA         ZA         QA         VA         BVA        FA
  0 C      6.1278     6.0000    -0.1278     3.6819     3.6819    -0.0000
  1 H      0.8481     1.0000     0.1519     0.9799     0.9799     0.0000
  2 H      0.7821     1.0000     0.2179     0.9397     0.9397    -0.0000
  3 C      6.2253     6.0000    -0.2253     3.7332     3.7332     0.0000
  4 H      0.8742     1.0000     0.1258     0.9912     0.9912     0.0000
  5 H      0.8148     1.0000     0.1852     0.9373     0.9373     0.0000
  6 C      6.2526     6.0000    -0.2526     3.5435     3.5435     0.0000
  7 H      0.7992     1.0000     0.2008     0.9455     0.9455     0.0000
  8 H      0.8326     1.0000     0.1674     0.9528     0.9528    -0.0000
  9 C      6.1192     6.0000    -0.1192     3.8408     3.8408     0.0000
 10 H      0.8402     1.0000     0.1598     0.9864     0.9864    -0.0000
 11 H      0.8414     1.0000     0.1586     0.9732     0.9732     0.0000
 12 O      8.5212     8.0000    -0.5212     1.5339     1.5339     0.0000
 13 H      0.7684     1.0000     0.2316     1.0344     1.0344     0.0000
 14 O      8.6662     8.0000    -0.6662     2.1184     2.1184    -0.0000
 15 H      0.7025     1.0000     0.2975     0.9532     0.9532    -0.0000
 16 O      8.4861     8.0000    -0.4861     1.9657     1.9657     0.0000
 17 H      0.7985     1.0000     0.2015     1.0063     1.0063     0.0000
 18 H      0.7158     1.0000     0.2842     0.9445     0.9445     0.0000
 19 O      8.4959     8.0000    -0.4959     2.0079     2.0079    -0.0000
 20 H      0.6925     1.0000     0.3075     0.9202     0.9202     0.0000
 21 H      0.8013     1.0000     0.1987     1.0195     1.0195    -0.0000
 22 O      8.5261     8.0000    -0.5261     1.8620     1.8620     0.0000
 23 H      0.7940     1.0000     0.2060     0.9923     0.9923     0.0000
 24 H      0.6764     1.0000     0.3236     0.9047     0.9047     0.0000
 25 O      8.5417     8.0000    -0.5417     1.8908     1.8908     0.0000
 26 H      0.7828     1.0000     0.2172     1.0257     1.0257     0.0000
 27 H      0.7408     1.0000     0.2592     0.9529     0.9529     0.0000
 28 O      8.5877     8.0000    -0.5877     2.0058     2.0058    -0.0000
 29 H      0.7101     1.0000     0.2899     0.9654     0.9654     0.0000
 30 H      0.7034     1.0000     0.2966     0.9514     0.9514    -0.0000
 31 O      8.5995     8.0000    -0.5995     2.1448     2.1448    -0.0000
 32 H      0.6715     1.0000     0.3285     0.9203     0.9203    -0.0000
 33 H      0.7478     1.0000     0.2522     0.9449     0.9449    -0.0000
 34 O      8.5321     8.0000    -0.5321     1.8538     1.8538     0.0000
 35 H      0.7245     1.0000     0.2755     0.9751     0.9751     0.0000
 36 H      0.7274     1.0000     0.2726     0.9694     0.9694    -0.0000
 37 O      8.4503     8.0000    -0.4503     1.8977     1.8977     0.0000
 38 H      0.7206     1.0000     0.2794     0.9425     0.9425     0.0000
 39 H      0.8151     1.0000     0.1849     1.0122     1.0122    -0.0000
 40 O      8.6187     8.0000    -0.6187     1.8522     1.8522    -0.0000
 41 H      0.6453     1.0000     0.3547     0.9075     0.9075     0.0000
 42 H      0.7271     1.0000     0.2729     0.9437     0.9437    -0.0000
 43 O      8.6127     8.0000    -0.6127     1.9599     1.9599    -0.0000
 44 H      0.7382     1.0000     0.2618     1.0145     1.0145    -0.0000
 45 H      0.6461     1.0000     0.3539     0.8871     0.8871     0.0000
 46 O      8.5538     8.0000    -0.5538     1.9097     1.9097    -0.0000
 47 H      0.7120     1.0000     0.2880     0.9676     0.9676     0.0000
 48 H      0.7297     1.0000     0.2703     0.9437     0.9437    -0.0000
 49 O      8.4398     8.0000    -0.4398     1.9286     1.9286     0.0000
 50 H      0.7326     1.0000     0.2674     0.9660     0.9660    -0.0000
 51 H      0.7941     1.0000     0.2059     0.9825     0.9825    -0.0000
 52 O      8.4855     8.0000    -0.4855     1.8584     1.8584    -0.0000
 53 H      0.7988     1.0000     0.2012     0.9945     0.9945    -0.0000
 54 H      0.7076     1.0000     0.2924     0.9267     0.9267    -0.0000
 55 O      8.6204     8.0000    -0.6204     1.8631     1.8631    -0.0000
 56 H      0.6683     1.0000     0.3317     0.9132     0.9132    -0.0000
 57 H      0.7159     1.0000     0.2841     0.9563     0.9563     0.0000
 58 O      8.6323     8.0000    -0.6323     1.7421     1.7421    -0.0000
 59 H      0.7520     1.0000     0.2480     0.9401     0.9401    -0.0000
 60 H      0.6741     1.0000     0.3259     0.9460     0.9460    -0.0000
 61 O      8.6728     8.0000    -0.6728     1.7912     1.7912    -0.0000
 62 H      0.6590     1.0000     0.3410     0.9471     0.9471    -0.0000
 63 H      0.6554     1.0000     0.3446     0.8842     0.8842     0.0000
 64 O      8.4851     8.0000    -0.4851     1.8377     1.8377     0.0000
 65 H      0.7934     1.0000     0.2066     1.0182     1.0182     0.0000
 66 H      0.7082     1.0000     0.2918     0.9464     0.9464     0.0000
 67 O      8.6651     8.0000    -0.6651     1.8248     1.8248     0.0000
 68 H      0.6925     1.0000     0.3075     0.9278     0.9278     0.0000
 69 H      0.6124     1.0000     0.3876     0.8918     0.8918     0.0000
 70 O      8.6136     8.0000    -0.6136     1.8150     1.8150    -0.0000
 71 H      0.6943     1.0000     0.3057     0.9255     0.9255     0.0000
 72 H      0.7003     1.0000     0.2997     0.9725     0.9725    -0.0000
 73 O      8.4995     8.0000    -0.4995     1.9572     1.9572    -0.0000
 74 H      0.7037     1.0000     0.2963     0.9625     0.9625    -0.0000
 75 H      0.7735     1.0000     0.2265     0.9771     0.9771     0.0000
 76 O      8.6037     8.0000    -0.6037     1.9152     1.9152    -0.0000
 77 H      0.6917     1.0000     0.3083     0.9322     0.9322    -0.0000
 78 H      0.7155     1.0000     0.2845     0.9644     0.9644     0.0000
 79 O      8.6495     8.0000    -0.6495     1.7558     1.7558    -0.0000
 80 H      0.7124     1.0000     0.2876     0.9964     0.9964     0.0000
 81 H      0.6775     1.0000     0.3225     0.9061     0.9061     0.0000
 82 O      8.5967     8.0000    -0.5967     1.7907     1.7907     0.0000
 83 H      0.7469     1.0000     0.2531     0.9763     0.9763     0.0000
 84 H      0.6763     1.0000     0.3237     0.9397     0.9397     0.0000
 85 O      8.5947     8.0000    -0.5947     1.8407     1.8407    -0.0000
 86 H      0.7283     1.0000     0.2717     0.9710     0.9710    -0.0000
 87 H      0.6783     1.0000     0.3217     0.9352     0.9352    -0.0000
 88 O      8.4748     8.0000    -0.4748     1.9782     1.9782     0.0000
 89 H      0.7467     1.0000     0.2533     0.9664     0.9664     0.0000
 90 H      0.7424     1.0000     0.2576     0.9677     0.9677     0.0000
 91 O      8.6798     8.0000    -0.6798     1.8250     1.8250    -0.0000
 92 H      0.6431     1.0000     0.3569     0.8972     0.8972    -0.0000
 93 H      0.6666     1.0000     0.3334     0.9177     0.9177     0.0000
 94 O      8.6070     8.0000    -0.6070     1.8543     1.8543     0.0000
 95 H      0.6561     1.0000     0.3439     0.9281     0.9281     0.0000
 96 H      0.7280     1.0000     0.2720     0.9745     0.9745     0.0000
 97 O      8.7190     8.0000    -0.7190     1.7897     1.7897     0.0000
 98 H      0.6656     1.0000     0.3344     0.9041     0.9041    -0.0000
 99 H      0.6061     1.0000     0.3939     0.8524     0.8524    -0.0000
100 O      8.5742     8.0000    -0.5742     1.8574     1.8574     0.0000
101 H      0.7408     1.0000     0.2592     0.9717     0.9717     0.0000
102 H      0.6871     1.0000     0.3129     0.9438     0.9438    -0.0000
103 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
104 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
105 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
106 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
107 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
108 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
109 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
110 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
111 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
112 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
113 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
114 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
115 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
116 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
117 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
118 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
119 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
120 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
121 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
122 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
123 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
124 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
125 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
126 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
127 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
128 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
129 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
130 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
131 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
132 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
133 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
134 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
135 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
136 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
137 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
138 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
139 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
140 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
141 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
142 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
143 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
144 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
145 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
146 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
147 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
148 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
149 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
150 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
151 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
152 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
153 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
154 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
155 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
156 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
157 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
158 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
159 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
160 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
161 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
162 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
163 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
164 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
165 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
166 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
167 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
168 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
169 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
170 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
171 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
172 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
173 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
174 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
175 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
176 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
177 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
178 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
179 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
180 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
181 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
182 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
183 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
184 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
185 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
186 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
187 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
188 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
189 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
190 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
191 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
192 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
193 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
194 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
195 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
196 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
197 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
198 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
199 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
200 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
201 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
202 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
203 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
204 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
205 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
206 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
207 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
208 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
209 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
210 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
211 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
212 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
213 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
214 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
215 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
216 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
217 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
218 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
219 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
220 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
221 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
222 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
223 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
224 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
225 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
226 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
227 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
228 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
229 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
230 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
231 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
232 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
233 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
234 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
235 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
236 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
237 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
238 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
239 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
240 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
241 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
242 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
243 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
244 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
245 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
246 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
247 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
248 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
249 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
250 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
251 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
252 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
253 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
254 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
255 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
256 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
257 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
258 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
259 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
260 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
261 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
262 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
263 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
264 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
265 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
266 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
267 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
268 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
269 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
270 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
271 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
272 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
273 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
274 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
275 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
276 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
277 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
278 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
279 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
280 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
281 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
282 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
283 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
284 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
285 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
286 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
287 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
288 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
289 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
290 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
291 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
292 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
293 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
294 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
295 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
296 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
297 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
298 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
299 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
300 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
301 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
302 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
303 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
304 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
305 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
306 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
307 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
308 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
309 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
310 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
311 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
312 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
313 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
314 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
315 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
316 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
317 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
318 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
319 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
320 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
321 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
322 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
323 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
324 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
325 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
326 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
327 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
328 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
329 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
330 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
331 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
332 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
333 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
334 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
335 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
336 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
337 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
338 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
339 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
340 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
341 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
342 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
343 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
344 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
345 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
346 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
347 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
348 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
349 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
350 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
351 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
352 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
353 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
354 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
355 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
356 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
357 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
358 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
359 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
360 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
361 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
362 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
363 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
364 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
365 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
366 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
367 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
368 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
369 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
370 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
371 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
372 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
373 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
374 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
375 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
376 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
377 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
378 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
379 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
380 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
381 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
382 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
383 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
384 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
385 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
386 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
387 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
388 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
389 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
390 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
391 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
392 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
393 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
394 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
395 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
396 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
397 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
398 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
399 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
400 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
401 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
402 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
403 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
404 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
405 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
406 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
407 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
408 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
409 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
410 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
411 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
412 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
413 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
414 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
415 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
416 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
417 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
418 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
419 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
420 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
421 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
422 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
423 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
424 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
425 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
426 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
427 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
428 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
429 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
430 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
431 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
432 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
433 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
434 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
435 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
436 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
437 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
438 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
439 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
440 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
441 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
442 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
443 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
444 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
445 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
446 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
447 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
448 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
449 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
450 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
451 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
452 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
453 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
454 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
455 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
456 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
457 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
458 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
459 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
460 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
461 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
462 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
463 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
464 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
465 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
466 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
467 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
468 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
469 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
470 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
471 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
472 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
473 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
474 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
475 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
476 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
477 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
478 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
479 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
480 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
481 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
482 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
483 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
484 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
485 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
486 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
487 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
488 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
489 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
490 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
491 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
492 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
493 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
494 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
495 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
496 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
497 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
498 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
499 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
500 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
501 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
502 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
503 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
504 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
505 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
506 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
507 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
508 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
509 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
510 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
511 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
512 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
513 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
514 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
515 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
516 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
517 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
518 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
519 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
520 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
521 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
522 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
523 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
524 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
525 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
526 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
527 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
528 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
529 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
530 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
531 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
532 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
533 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
534 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
535 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
536 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
537 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
538 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
539 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
540 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
541 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
542 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
543 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
544 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
545 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
546 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
547 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
548 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
549 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
550 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
551 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
552 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
553 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
554 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
555 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
556 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
557 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
558 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
559 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
560 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
561 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
562 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
563 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
564 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
565 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
566 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
567 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
568 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
569 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
570 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
571 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
572 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
573 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
574 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
575 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
576 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
577 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
578 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
579 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
580 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
581 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
582 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
583 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
584 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
585 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
586 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
587 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
588 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
589 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
590 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
591 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
592 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
593 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
594 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
595 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
596 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
597 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
598 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
599 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
600 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
601 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
602 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
603 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
604 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
605 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
606 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
607 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
608 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
609 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
610 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
611 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
612 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
613 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
614 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
615 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
616 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
617 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
618 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
619 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
620 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
621 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
622 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
623 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
624 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
625 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
626 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
627 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000
628 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
629 Q      0.0000     0.6645     0.6645     0.0000     0.0000     0.0000
630 Q      0.0000    -1.3290    -1.3290     0.0000     0.0000     0.0000

  Mayer bond orders larger than 0.100000
B(  0-C ,  1-H ) :   1.0610 B(  0-C ,  2-H ) :   0.9769 B(  0-C ,  3-C ) :   0.8143 
B(  0-C , 14-O ) :   0.8554 B(  0-C , 76-O ) :  -0.1110 B(  3-C ,  4-H ) :   0.9883 
B(  3-C ,  5-H ) :   1.0061 B(  3-C ,  6-C ) :   0.7778 B(  6-C ,  7-H ) :   1.0168 
B(  6-C ,  8-H ) :   1.0174 B(  6-C ,  9-C ) :   0.8610 B(  9-C , 10-H ) :   1.0045 
B(  9-C , 11-H ) :   0.9726 B(  9-C , 12-O ) :   0.7748 B( 12-O , 13-H ) :   0.8889 
B( 14-O , 15-H ) :   0.9266 B( 16-O , 17-H ) :   0.9793 B( 16-O , 18-H ) :   0.8943 
B( 19-O , 20-H ) :   0.9149 B( 19-O , 21-H ) :   0.9792 B( 22-O , 23-H ) :   0.9484 
B( 22-O , 24-H ) :   0.8478 B( 25-O , 26-H ) :   0.9222 B( 25-O , 27-H ) :   0.9436 
B( 28-O , 29-H ) :   0.9193 B( 28-O , 30-H ) :   0.9049 B( 31-O , 32-H ) :   0.8918 
B( 31-O , 33-H ) :   0.9478 B( 34-O , 35-H ) :   0.8623 B( 34-O , 36-H ) :   0.9512 
B( 37-O , 38-H ) :   0.9292 B( 37-O , 39-H ) :   0.9695 B( 40-O , 41-H ) :   0.8981 
B( 40-O , 42-H ) :   0.9331 B( 43-O , 44-H ) :   0.9504 B( 43-O , 45-H ) :   0.8802 
B( 46-O , 47-H ) :   0.9406 B( 46-O , 48-H ) :   0.9294 B( 49-O , 50-H ) :   0.9351 
B( 49-O , 51-H ) :   0.9528 B( 52-O , 53-H ) :   0.9450 B( 52-O , 54-H ) :   0.9106 
B( 55-O , 56-H ) :   0.8498 B( 55-O , 57-H ) :   0.9374 B( 58-O , 59-H ) :   0.8859 
B( 58-O , 60-H ) :   0.8466 B( 61-O , 62-H ) :   0.8495 B( 61-O , 63-H ) :   0.8630 
B( 64-O , 65-H ) :   0.9252 B( 64-O , 66-H ) :   0.9378 B( 67-O , 68-H ) :   0.8839 
B( 67-O , 69-H ) :   0.7915 B( 70-O , 71-H ) :   0.9053 B( 70-O , 72-H ) :   0.8844 
B( 73-O , 74-H ) :   0.9540 B( 73-O , 75-H ) :   0.9592 B( 76-O , 77-H ) :   0.9310 
B( 76-O , 78-H ) :   0.8945 B( 79-O , 80-H ) :   0.8836 B( 79-O , 81-H ) :   0.8747 
B( 82-O , 83-H ) :   0.9592 B( 82-O , 84-H ) :   0.8594 B( 85-O , 86-H ) :   0.9600 
B( 85-O , 87-H ) :   0.8810 B( 88-O , 89-H ) :   0.9680 B( 88-O , 90-H ) :   0.9601 
B( 91-O , 92-H ) :   0.8935 B( 91-O , 93-H ) :   0.9045 B( 94-O , 95-H ) :   0.9124 
B( 94-O , 96-H ) :   0.9208 B( 97-O , 98-H ) :   0.9005 B( 97-O , 99-H ) :   0.8491 
B(100-O ,101-H ) :   0.9202 B(100-O ,102-H ) :   0.9300 

Environment variable NBOEXE for nbo6.exe or nbo5.exe not set! Skipping NBO-Analysis

-------
TIMINGS
-------

Total SCF time: 0 days 0 hours 10 min 10 sec 

Total time                  ....     610.786 sec
Sum of individual times     ....     593.602 sec  ( 97.2%)

Fock matrix formation       ....     528.204 sec  ( 86.5%)
  Split-RI-J                ....      44.407 sec  (  8.4% of F)
  Chain of spheres X        ....     444.276 sec  ( 84.1% of F)
  XC integration            ....      31.800 sec  (  6.0% of F)
    Basis function eval.    ....       5.947 sec  ( 18.7% of XC)
    Density eval.           ....      13.021 sec  ( 40.9% of XC)
    XC-Functional eval.     ....       0.284 sec  (  0.9% of XC)
    XC-Potential eval.      ....       8.325 sec  ( 26.2% of XC)
Diagonalization             ....      10.482 sec  (  1.7%)
Density matrix formation    ....       1.893 sec  (  0.3%)
Population analysis         ....       3.253 sec  (  0.5%)
Initial guess               ....       5.487 sec  (  0.9%)
Orbital Transformation      ....       0.000 sec  (  0.0%)
Orbital Orthonormalization  ....       0.000 sec  (  0.0%)
DIIS solution               ....      11.128 sec  (  1.8%)
SOSCF solution              ....      10.799 sec  (  1.8%)
Grid generation             ....      22.356 sec  (  3.7%)

Maximum memory used throughout the entire SCF-calculation: 1049.0 MB

-------------------------   --------------------
FINAL SINGLE POINT ENERGY     -2696.313400118486
-------------------------   --------------------



           ************************************************************
           *        Program running with 32 parallel MPI-processes    *
           *              working on a common directory               *
           ************************************************************
------------------------------------------------------------------------------
                         ORCA SCF GRADIENT CALCULATION
------------------------------------------------------------------------------

 ... reading COSX grid (gridx3)
Gradient of the Kohn-Sham DFT energy:
Kohn-Sham wavefunction type      ... RKS
Hartree-Fock exchange scaling    ...    0.200
Number of operators              ...    1
Number of atoms                  ...  631
Basis set dimensions             ... 2562
Integral neglect threshold       ... 2.5e-11
Integral primitive cutoff        ... 2.5e-12
SHARK Integral package           ... ON

Nuc. rep. gradient       (SHARK) ... done (  0.0 sec)
HCore & Overlap gradient (SHARK) ... done ( 25.9 sec)
RI-J gradient            (SHARK) ... done ( 10.3 sec)
COSX-gradient                    ... done (117.4 sec)
Exchange-correlation gradient    ... done

------------------
CARTESIAN GRADIENT
------------------

WARNING: THERE ARE 1584 FIXED CARTESIAN COORDINATES
   1   C   :    0.007319403   -0.007836059   -0.007954824
   2   H   :   -0.018279578    0.007109501    0.008248161
   3   H   :    0.001996554   -0.014784189    0.003806213
   4   C   :   -0.016831101   -0.048186823    0.007364148
   5   H   :    0.012577220    0.002115600    0.011662062
   6   H   :   -0.001285916    0.015188871   -0.001105943
   7   C   :   -0.000049930   -0.006812015   -0.009169203
   8   H   :   -0.011071288    0.009905985   -0.004108492
   9   H   :    0.010605708   -0.003228676    0.015701818
  10   C   :    0.002129316   -0.009645071   -0.021777675
  11   H   :    0.024589011    0.005460940    0.008162374
  12   H   :    0.000039588    0.000980849    0.002315216
  13   O   :   -0.011314488    0.009779625   -0.019472163
  14   H   :    0.010552793    0.009943182    0.017775219
  15   O   :    0.020176112    0.031799049    0.020851191
  16   H   :   -0.012371713    0.003452220   -0.025597643
  17   O   :   -0.004257217   -0.021935828   -0.001047758
  18   H   :   -0.000661719    0.005102130   -0.008442198
  19   H   :    0.007434137    0.024329633    0.011380090
  20   O   :   -0.007055713    0.026183870   -0.018349624
  21   H   :    0.000111983   -0.001009839    0.002084080
  22   H   :    0.008988342   -0.025890193    0.016247424
  23   O   :    0.013037275   -0.006924100   -0.003231981
  24   H   :   -0.011251314    0.024142252    0.015359167
  25   H   :   -0.002862156   -0.018442617   -0.012106504
  26   O   :   -0.013999071    0.009728966    0.008705442
  27   H   :    0.007516657   -0.013756001   -0.014062972
  28   H   :   -0.003957184    0.002026081    0.013037716
  29   O   :    0.009964067    0.026457267   -0.009244188
  30   H   :   -0.000156639   -0.000704538    0.013221983
  31   H   :   -0.017982949   -0.029751775   -0.000975908
  32   O   :   -0.027805222   -0.002174478   -0.006976197
  33   H   :    0.002310039   -0.005611618    0.000186077
  34   H   :    0.024179669    0.009398083    0.007965369
  35   O   :    0.000350663    0.009076459   -0.014032625
  36   H   :   -0.009197277    0.001367537    0.010706920
  37   H   :    0.004494512    0.002236366    0.002370507
  38   O   :   -0.000010421    0.002634523   -0.015849520
  39   H   :    0.003202095   -0.007590452    0.001935013
  40   H   :    0.000007425   -0.000190702    0.006697401
  41   O   :   -0.005788897    0.010942548   -0.012874592
  42   H   :    0.002996118   -0.008818462    0.001580367
  43   H   :   -0.001638635    0.001680269    0.012849932
  44   O   :    0.012346814   -0.030338608    0.000762408
  45   H   :    0.002001693    0.003221549   -0.017057035
  46   H   :   -0.008941536    0.012702016   -0.005353431
  47   O   :    0.027603993   -0.001030002    0.006668815
  48   H   :   -0.021285249   -0.009416727    0.001301884
  49   H   :   -0.001767955    0.019830722    0.000095690
  50   O   :   -0.025929590    0.031084384   -0.014188253
  51   H   :    0.008420285   -0.023092326    0.015647893
  52   H   :    0.008341704   -0.009320441   -0.001245605
  53   O   :   -0.032322442    0.003758757    0.058601241
  54   H   :    0.057631200    0.025880111   -0.061178277
  55   H   :   -0.039065833   -0.025775034   -0.012612222
  56   O   :    0.002760597    0.000367884    0.000226729
  57   H   :    0.006055714   -0.000601388    0.000966264
  58   H   :   -0.003212029    0.003851655    0.001842751
  59   O   :   -0.017730120    0.007607856    0.046529910
  60   H   :    0.014443415   -0.009164464   -0.040154158
  61   H   :    0.001442423   -0.014659017   -0.003400848
  62   O   :    0.001908813    0.000697600   -0.002192712
  63   H   :   -0.014297067   -0.003293560    0.008365219
  64   H   :   -0.010067602   -0.002647475   -0.010007732
  65   O   :    0.018782634    0.004388914    0.011721179
  66   H   :   -0.003957225    0.004484357   -0.007875800
  67   H   :   -0.007553766    0.003360970   -0.008933432
  68   O   :    0.026158109    0.001185542    0.013699176
  69   H   :    0.021347836   -0.008500001   -0.000388457
  70   H   :   -0.049533853   -0.005167657    0.001983417
  71   O   :    0.020872651    0.025384751   -0.007682627
  72   H   :   -0.021628404   -0.008105747   -0.001078763
  73   H   :   -0.008081828    0.002746025    0.004232684
  74   O   :   -0.052799828    0.011242959    0.027851310
  75   H   :   -0.018546247   -0.000683364   -0.022258656
  76   H   :    0.060938976   -0.004959448   -0.011929572
  77   O   :   -0.016143469    0.008965607   -0.004330813
  78   H   :    0.017019314   -0.009222810    0.010730861
  79   H   :    0.013561240   -0.006452833   -0.008236789
  80   O   :    0.011502762    0.013312974    0.010912643
  81   H   :   -0.001723933   -0.008616021   -0.007031000
  82   H   :   -0.004229106    0.000155676    0.012152449
  83   O   :   -0.013731201    0.029767846    0.003563053
  84   H   :   -0.006677902   -0.003249789    0.011037954
  85   H   :    0.025620778   -0.019413813   -0.022132713
  86   O   :    0.038714602   -0.030485337   -0.008438259
  87   H   :   -0.007467623    0.008055136   -0.001458614
  88   H   :   -0.035846989    0.023686597    0.000414771
  89   O   :   -0.010335384   -0.011208474   -0.008957087
  90   H   :    0.023690208    0.005597114   -0.004540888
  91   H   :   -0.015244561    0.007467693    0.012024205
  92   O   :    0.003886608   -0.000513401    0.002534217
  93   H   :   -0.007812351   -0.006045532   -0.006226237
  94   H   :    0.008903468   -0.007612574    0.000736378
  95   O   :    0.017854912    0.018664746    0.016493174
  96   H   :   -0.017125221   -0.015113709   -0.007755923
  97   H   :    0.002163006   -0.015838234    0.001391711
  98   O   :    0.002234356   -0.018119240   -0.016377946
  99   H   :   -0.006792705   -0.002140880    0.001823190
 100   H   :    0.001509201   -0.002841945    0.003313131
 101   O   :   -0.000989149   -0.015598013    0.021208709
 102   H   :    0.006843637    0.011291731   -0.011716458
 103   H   :    0.004625599    0.003637396   -0.008555584
 104   Q   :   -0.219015379    0.091558241    0.131245513
 105   Q   :    0.226808140    0.101791141   -0.015039157
 106   Q   :   -0.024398918   -0.186291483   -0.112998364
 107   Q   :    0.048229439   -0.320665534   -0.031533959
 108   Q   :   -0.248286152    0.084010887   -0.178969427
 109   Q   :    0.195075545    0.235829158    0.208647486
 110   Q   :   -0.000503446   -0.291549158    0.071236351
 111   Q   :   -0.120873625    0.203643530    0.153180983
 112   Q   :    0.122743566    0.082241229   -0.212990932
 113   Q   :    0.231794908   -0.064831626    0.062377477
 114   Q   :   -0.123627993    0.212638161    0.040835326
 115   Q   :   -0.109941238   -0.145386013   -0.105603597
 116   Q   :   -0.264273630   -0.083442362   -0.020922223
 117   Q   :    0.190564942    0.041792748   -0.218972559
 118   Q   :    0.076310851    0.031245094    0.236705279
 119   Q   :    0.112354554    0.202525596   -0.226459582
 120   Q   :    0.045513141    0.003780049    0.256338668
 121   Q   :   -0.147560198   -0.208987994   -0.027371341
 122   Q   :    0.096287715    0.033779534   -0.247423666
 123   Q   :   -0.240215407   -0.136557658    0.080438167
 124   Q   :    0.128703393    0.090918247    0.164608775
 125   Q   :    0.030307517   -0.286325619    0.025980185
 126   Q   :   -0.114150463    0.147383096   -0.224146561
 127   Q   :    0.084047208    0.143101469    0.201427426
 128   Q   :   -0.010808753   -0.022161855    0.278986327
 129   Q   :   -0.202608110   -0.004351741   -0.160638224
 130   Q   :    0.200769637    0.023242521   -0.118249776
 131   Q   :   -0.294729504   -0.094390029   -0.044108988
 132   Q   :    0.219160133   -0.063325100   -0.148441921
 133   Q   :    0.072400943    0.165554244    0.197570230
 134   Q   :   -0.266151392   -0.035203754    0.160458724
 135   Q   :   -0.003971321    0.132024288   -0.260358371
 136   Q   :    0.262257662   -0.098126474    0.101887763
 137   Q   :   -0.155523213   -0.172856680    0.123396840
 138   Q   :    0.283818985   -0.010883735    0.027781263
 139   Q   :   -0.122566988    0.185095137   -0.153254536
 140   Q   :   -0.045973295    0.250039843   -0.060037945
 141   Q   :   -0.144398274   -0.164266899    0.072011668
 142   Q   :    0.199679256   -0.081361748   -0.013379892
 143   Q   :   -0.126213355   -0.239342457   -0.167412462
 144   Q   :    0.147989121   -0.038272072    0.249831175
 145   Q   :   -0.021603077    0.267362810   -0.086643928
 146   Q   :    0.230939311    0.076073295    0.157875320
 147   Q   :   -0.244358190   -0.144640154    0.126158170
 148   Q   :   -0.000740672    0.079159968   -0.287239285
 149   Q   :   -0.248933306    0.160379056   -0.063801105
 150   Q   :    0.103603686   -0.184275350   -0.192803385
 151   Q   :    0.144592402    0.028029495    0.256251306
 152   Q   :   -0.292022055   -0.012000476    0.031471636
 153   Q   :    0.162725762   -0.161686385   -0.210689175
 154   Q   :    0.126379164    0.178786995    0.179344171
 155   Q   :    0.018527093   -0.229126296    0.190441604
 156   Q   :    0.017813796   -0.053614346   -0.310969569
 157   Q   :   -0.032064085    0.281535881    0.107430940
 158   Q   :    0.245937757    0.064149270    0.005196812
 159   Q   :   -0.185478526    0.114351585   -0.153365768
 160   Q   :   -0.060660084   -0.194780585    0.155639063
 161   Q   :    0.248361796    0.082354310    0.105318282
 162   Q   :   -0.200185885   -0.136942776    0.116159419
 163   Q   :   -0.042535654    0.052410239   -0.218904980
 164   Q   :   -0.192455034    0.167723208    0.144729783
 165   Q   :    0.103027164   -0.232045292    0.094353115
 166   Q   :    0.081196999    0.063589836   -0.234389425
 167   Q   :   -0.132321093   -0.237538473   -0.072911924
 168   Q   :    0.133459242    0.065157245    0.217224707
 169   Q   :    0.000946303    0.166753988   -0.147585303
 170   Q   :    0.234291259   -0.102311656   -0.053621532
 171   Q   :   -0.052767134    0.173465914    0.166468091
 172   Q   :   -0.177745746   -0.056016613   -0.108389646
 173   Q   :    0.043309384   -0.183732403    0.215367983
 174   Q   :   -0.267156580    0.088725271   -0.071912297
 175   Q   :    0.219979862    0.085274307   -0.138202886
 176   Q   :   -0.089596009    0.033056598   -0.234656675
 177   Q   :    0.159352367   -0.221368864    0.097486650
 178   Q   :   -0.068341713    0.179667372    0.142140103
 179   Q   :   -0.151528789    0.201855984    0.053545154
 180   Q   :   -0.045392104   -0.237326381   -0.103341148
 181   Q   :    0.186592153    0.023646209    0.056681187
 182   Q   :   -0.019146943    0.210464125   -0.195483174
 183   Q   :   -0.131291317    0.015614462    0.241907386
 184   Q   :    0.153605444   -0.219514531   -0.052459712
 185   Q   :    0.045009723   -0.278716098   -0.052419858
 186   Q   :   -0.258115997    0.078207270    0.048874965
 187   Q   :    0.214393506    0.198468205    0.007188348
 188   Q   :   -0.169657272   -0.043267152   -0.171725484
 189   Q   :    0.128711684   -0.180848370    0.172415744
 190   Q   :    0.034482886    0.221638409   -0.000114041
 191   Q   :    0.102213626    0.128435285   -0.219366536
 192   Q   :    0.067126172   -0.271068841    0.085536960
 193   Q   :   -0.163319846    0.141096051    0.128306116
 194   Q   :    0.228582949   -0.096778541   -0.013130750
 195   Q   :   -0.207468993   -0.093455037    0.098294273
 196   Q   :   -0.024003336    0.172365606   -0.082477216
 197   Q   :   -0.095228584   -0.116697296    0.249029723
 198   Q   :    0.060899729   -0.162948057   -0.249620664
 199   Q   :    0.027525454    0.276084143   -0.003292157
 200   Q   :    0.029489210   -0.033159165    0.261230068
 201   Q   :   -0.032460072    0.248964267   -0.153317120
 202   Q   :    0.004759703   -0.209564715   -0.108614902
 203   Q   :   -0.226190047    0.037404675    0.185292045
 204   Q   :    0.076803179   -0.241385449   -0.129166005
 205   Q   :    0.147406702    0.215121396   -0.060133004
 206   Q   :    0.051318624   -0.115111334    0.219259520
 207   Q   :   -0.255150822   -0.029316349   -0.158594946
 208   Q   :    0.200651501    0.139888219   -0.076607716
 209   Q   :   -0.092082082   -0.219053659    0.141398777
 210   Q   :   -0.119453488    0.096963368   -0.257870757
 211   Q   :    0.206651954    0.121120535    0.112459460
 212   Q   :   -0.251114530    0.005159420    0.186867772
 213   Q   :    0.180150711    0.184943112    0.012907224
 214   Q   :    0.067285203   -0.194236650   -0.208158917
 215   Q   :   -0.183479087   -0.172237225   -0.052669446
 216   Q   :    0.243919782   -0.047829925    0.081082120
 217   Q   :   -0.070799289    0.218733439   -0.035145325
 218   Q   :    0.028848468   -0.263602324   -0.077378327
 219   Q   :    0.029369389    0.208115058   -0.231016492
 220   Q   :   -0.053234225    0.050953859    0.313232920
 221   Q   :    0.091302116   -0.191685854    0.157057112
 222   Q   :   -0.031881577    0.258312256    0.056920390
 223   Q   :   -0.058451485   -0.067338859   -0.201160120
 224   Q   :    0.047929764    0.248676839   -0.109405175
 225   Q   :    0.101125046   -0.229247069   -0.055295769
 226   Q   :   -0.150934997   -0.018978129    0.172425737
 227   Q   :   -0.267043021    0.174063895   -0.021275981
 228   Q   :    0.196006083   -0.015885942   -0.274851176
 229   Q   :    0.079131039   -0.163832658    0.286800849
 230   Q   :   -0.272711891   -0.145677468   -0.008788155
 231   Q   :    0.085784895    0.160142889   -0.207285131
 232   Q   :    0.182672683   -0.022017564    0.226215834
 233   Q   :    0.085933570    0.224276952   -0.092330116
 234   Q   :    0.114606538   -0.254203578   -0.024998519
 235   Q   :   -0.194914461    0.022686907    0.103656297
 236   Q   :   -0.112327981   -0.263836267    0.050782517
 237   Q   :   -0.064654215    0.125190654   -0.277890578
 238   Q   :    0.174765652    0.131297743    0.226314946
 239   Q   :   -0.229824975   -0.080056678    0.114719213
 240   Q   :    0.236928099   -0.172760587   -0.028276015
 241   Q   :    0.002825420    0.260686295   -0.093122164
 242   Q   :    0.191420085   -0.116612669   -0.221904753
 243   Q   :    0.008316770    0.237983411    0.112644069
 244   Q   :   -0.194550825   -0.130695148    0.097634712
 245   Q   :    0.104833911    0.257157639    0.093115004
 246   Q   :   -0.187986707   -0.047079505   -0.163397787
 247   Q   :    0.094764943   -0.199099110    0.074876359
 248   Q   :   -0.207768355    0.069474124    0.221587635
 249   Q   :    0.223593605   -0.185272159    0.039093745
 250   Q   :   -0.008167253    0.120836939   -0.259336440
 251   Q   :    0.071254188    0.031977112    0.263262507
 252   Q   :    0.031161754   -0.261815074   -0.154952125
 253   Q   :   -0.095844389    0.234242636   -0.107246659
 254   Q   :    0.039636676    0.153803513   -0.207264412
 255   Q   :    0.216425833   -0.106409381    0.182716362
 256   Q   :   -0.257941613   -0.062933941    0.029438154
 257   Q   :    0.129954090    0.070381319    0.276841023
 258   Q   :   -0.103386590    0.179938996   -0.166837558
 259   Q   :   -0.022760907   -0.253974224   -0.105766400
 260   Q   :   -0.005964932   -0.277713053   -0.074759632
 261   Q   :   -0.106035167    0.105431254    0.282022607
 262   Q   :    0.114128064    0.171779538   -0.205849396
 263   Q   :   -0.204416080    0.046547186    0.194291912
 264   Q   :   -0.030019141   -0.067689007   -0.263880426
 265   Q   :    0.215005004    0.026852119    0.066186722
 266   Q   :    0.165407666    0.219696644   -0.019959574
 267   Q   :    0.014021182   -0.233843779   -0.135010051
 268   Q   :   -0.182131331    0.017144076    0.147140887
 269   Q   :    0.051988052    0.264890366   -0.150270768
 270   Q   :    0.166201023   -0.107179767    0.194000522
 271   Q   :   -0.216515716   -0.148442132   -0.041532391
 272   Q   :    0.202553045    0.085988489   -0.173077741
 273   Q   :   -0.243147134    0.140500843    0.047489480
 274   Q   :    0.042352004   -0.232834412    0.123701475
 275   Q   :    0.126304674    0.165391526   -0.155371546
 276   Q   :   -0.283977354   -0.027038964    0.022306906
 277   Q   :    0.150724605   -0.152673593    0.132056456
 278   Q   :    0.263870704   -0.007690307    0.001282452
 279   Q   :   -0.192013694    0.119933787    0.175218354
 280   Q   :   -0.072938450   -0.109455287   -0.181000844
 281   Q   :    0.046990643   -0.166667361    0.180390516
 282   Q   :   -0.299080582    0.088562598   -0.066531153
 283   Q   :    0.249885459    0.088802120   -0.114470602
 284   Q   :   -0.141710613    0.231585820    0.023514306
 285   Q   :    0.145708847   -0.085719380   -0.190199474
 286   Q   :   -0.009126645   -0.141649809    0.162487345
 287   Q   :    0.009460750    0.068200293   -0.251014368
 288   Q   :   -0.182047563    0.112847825    0.155444346
 289   Q   :    0.157892139   -0.172128404    0.095721398
 290   Q   :   -0.085496030    0.005911178   -0.242748335
 291   Q   :    0.223430891   -0.107208559    0.113884811
 292   Q   :   -0.137257740    0.102751938    0.131235557
 293   Q   :   -0.134803135    0.012454525    0.245884583
 294   Q   :    0.097066620    0.201541416   -0.123595848
 295   Q   :    0.032713484   -0.218972908   -0.117534613
 296   Q   :    0.293750799   -0.059768645    0.018839988
 297   Q   :   -0.155331321    0.146751957   -0.173076932
 298   Q   :   -0.143210448   -0.085924068    0.152460582
 299   Q   :   -0.168515803    0.163981201   -0.162935915
 300   Q   :    0.067295368    0.038282363    0.273807408
 301   Q   :    0.106049558   -0.199007241   -0.101636289
 302   Q   :   -0.171983588   -0.164044529   -0.146654916
 303   Q   :   -0.023407068    0.073370774    0.261802175
 304   Q   :    0.211933265    0.094532058   -0.114206058
 305   Q   :   -0.157093220   -0.142720685    0.137824160
 306   Q   :    0.253287609    0.073738934    0.031447555
 307   Q   :   -0.091642146    0.082476385   -0.164389905
 308   Q   :    0.219126128    0.164228891   -0.079101013
 309   Q   :   -0.034268598   -0.169731994    0.197277188
 310   Q   :   -0.183704803    0.009503932   -0.101911999
 311   Q   :   -0.099043152    0.051533719    0.295592896
 312   Q   :    0.307105197    0.069744209   -0.057084512
 313   Q   :   -0.201077781   -0.127742694   -0.237196739
 314   Q   :   -0.201270760   -0.001109724    0.199661595
 315   Q   :    0.162794426   -0.213937232   -0.141463715
 316   Q   :    0.036193033    0.204308929   -0.053912608
 317   Q   :    0.138611157    0.014962469    0.249377559
 318   Q   :   -0.257827381   -0.075205048   -0.028387123
 319   Q   :    0.125739644    0.062311593   -0.226506485
 320   Q   :    0.253092628    0.106001910   -0.120332550
 321   Q   :   -0.235282105    0.044778144   -0.113060171
 322   Q   :   -0.004138830   -0.142718771    0.227639908
 323   Q   :    0.179823061    0.059156923    0.190916799
 324   Q   :    0.024201876    0.119604042   -0.260106712
 325   Q   :   -0.215668884   -0.165607460    0.067850605
 326   Q   :    0.171283007   -0.148307725    0.199292418
 327   Q   :   -0.241851743    0.116408151    0.107444224
 328   Q   :    0.068149356    0.022066105   -0.305712522
 329   Q   :   -0.061063095   -0.045166616   -0.217196195
 330   Q   :   -0.139401597    0.153541031    0.162282929
 331   Q   :    0.213524336   -0.108407615    0.061049805
 332   Q   :   -0.007991678   -0.135831523   -0.231999318
 333   Q   :   -0.118230331    0.205335885    0.081522635
 334   Q   :    0.120023706   -0.063603516    0.144589587
 335   Q   :   -0.096473440   -0.049016182   -0.248597778
 336   Q   :   -0.164731401    0.153911123    0.214797177
 337   Q   :    0.254710713   -0.107515265    0.040847901
 338   Q   :    0.233542324   -0.175329102   -0.006082179
 339   Q   :    0.001977479    0.268800375   -0.104648691
 340   Q   :   -0.245735786   -0.092648997    0.119809655
 341   Q   :    0.042289992   -0.168199384   -0.184866406
 342   Q   :   -0.140960969   -0.047985523    0.233543570
 343   Q   :    0.088830223    0.207567636   -0.048458192
 344   Q   :    0.064968739   -0.102520789    0.247416506
 345   Q   :   -0.188624935    0.219093653   -0.054199781
 346   Q   :    0.119016520   -0.112762849   -0.186525202
 347   Q   :   -0.184666073    0.040253338   -0.187633705
 348   Q   :    0.074412930    0.110871082    0.209175785
 349   Q   :    0.102927401   -0.168912562   -0.023678769
 350   Q   :    0.037870920   -0.174121419   -0.226702779
 351   Q   :    0.242754324    0.102902254    0.136438502
 352   Q   :   -0.275937681    0.091893270    0.098024126
 353   Q   :    0.146638939   -0.125916889   -0.218422907
 354   Q   :   -0.169731072   -0.180782105    0.179662259
 355   Q   :    0.015822244    0.307377251    0.042557276
 356   Q   :    0.210176549    0.159948157   -0.033135588
 357   Q   :   -0.237651466    0.021467607   -0.172504927
 358   Q   :    0.020153671   -0.179590811    0.197637488
 359   Q   :   -0.194081221   -0.204602061   -0.025210491
 360   Q   :    0.056696232    0.136692484    0.253953325
 361   Q   :    0.140947692    0.074289460   -0.223377896
 362   Q   :    0.044422911   -0.256885877   -0.073903327
 363   Q   :    0.188178257    0.174940136    0.128853033
 364   Q   :   -0.239823625    0.084450036   -0.058934316
 365   Q   :    0.058876643    0.279209605    0.040503022
 366   Q   :   -0.031475461   -0.200492381    0.230346502
 367   Q   :   -0.026815054   -0.088093862   -0.274851970
 368   Q   :    0.163787339    0.071699509    0.198219590
 369   Q   :    0.029043823    0.051905879   -0.274250329
 370   Q   :   -0.187111015   -0.110666046    0.069739416
 371   Q   :   -0.064402209    0.267685886    0.010587656
 372   Q   :    0.030362970   -0.158605652    0.217356045
 373   Q   :    0.035309578   -0.108588439   -0.232034657
 374   Q   :    0.134923593   -0.198852239    0.117279550
 375   Q   :    0.068965191    0.257158600   -0.054361115
 376   Q   :   -0.199316241   -0.058356233   -0.063815300
 377   Q   :   -0.037514137    0.203355608   -0.233299486
 378   Q   :   -0.222476016   -0.203450520    0.038395993
 379   Q   :    0.262682607    0.003219134    0.189852388
 380   Q   :    0.127005722    0.255971990   -0.006549548
 381   Q   :   -0.201895427   -0.060485381   -0.157030273
 382   Q   :    0.074898625   -0.191783007    0.173212299
 383   Q   :   -0.249198997   -0.024896462    0.090600295
 384   Q   :    0.187086195    0.173073808    0.089258292
 385   Q   :    0.063851308   -0.136323384   -0.179364684
 386   Q   :    0.175562891   -0.170486604   -0.117622726
 387   Q   :    0.008355657    0.092664415    0.275153811
 388   Q   :   -0.182457106    0.079640835   -0.150174897
 389   Q   :    0.096732479    0.164176966    0.238965467
 390   Q   :   -0.022367359    0.103725574   -0.262939374
 391   Q   :   -0.061723034   -0.266250071    0.026075325
 392   Q   :   -0.030051739   -0.142042684   -0.223596526
 393   Q   :   -0.036357483    0.265967558    0.043425978
 394   Q   :    0.072988561   -0.118560864    0.167781154
 395   Q   :    0.243110817    0.127563988    0.043957936
 396   Q   :   -0.108163873   -0.189962989    0.133725921
 397   Q   :   -0.144462710    0.066303808   -0.177365759
 398   Q   :    0.122978721    0.067523204    0.263563416
 399   Q   :   -0.016261649    0.237064194   -0.199461440
 400   Q   :   -0.112121189   -0.302860650   -0.064565462
 401   Q   :   -0.040764602   -0.261627876    0.120856605
 402   Q   :    0.227121143    0.063081622   -0.212705958
 403   Q   :   -0.176150020    0.192948699    0.089897854
 404   Q   :   -0.238263183    0.184044952   -0.120669352
 405   Q   :    0.270814917    0.087931323   -0.033518618
 406   Q   :   -0.043645293   -0.264165187    0.165490503
 407   Q   :   -0.193649880    0.115753023   -0.008955245
 408   Q   :    0.103707462   -0.197909489   -0.202794037
 409   Q   :    0.102079166    0.077014186    0.222624359
 410   Q   :   -0.032860515   -0.248487540    0.162897591
 411   Q   :    0.135651804    0.042499859   -0.269947300
 412   Q   :   -0.094412275    0.206814355    0.110667613
 413   Q   :   -0.205351196    0.125501040    0.205227028
 414   Q   :   -0.027533654    0.066114584   -0.260215900
 415   Q   :    0.229518106   -0.189979162    0.060783040
 416   Q   :   -0.175396683   -0.192798851   -0.051669448
 417   Q   :    0.267320771   -0.013936536    0.141853895
 418   Q   :   -0.088366699    0.204420178   -0.088583148
 419   Q   :   -0.135917133    0.152504370    0.191574198
 420   Q   :   -0.134177833   -0.140229643   -0.198775845
 421   Q   :    0.261176133   -0.012279184    0.004251744
 422   Q   :    0.143914553   -0.127552053    0.190727998
 423   Q   :    0.045891607    0.061765586   -0.225981912
 424   Q   :   -0.189118370    0.061794875    0.039608201
 425   Q   :   -0.114188571    0.248969363    0.084415230
 426   Q   :   -0.097442230   -0.235038300    0.074240227
 427   Q   :    0.200778920   -0.017945520   -0.150944159
 428   Q   :   -0.085362155    0.012321811   -0.281915695
 429   Q   :   -0.024519323   -0.259267961    0.176468577
 430   Q   :    0.122337528    0.235987283    0.100524108
 431   Q   :   -0.177931509    0.172477150   -0.156268725
 432   Q   :   -0.079632921   -0.277434575    0.108300928
 433   Q   :    0.248074538    0.104984315    0.054131875
 434   Q   :    0.180051162   -0.120575676   -0.155523159
 435   Q   :   -0.236546968    0.041398245   -0.014391383
 436   Q   :    0.067355339    0.079474679    0.162660228
 437   Q   :   -0.233155691    0.038814075   -0.090726362
 438   Q   :    0.079476347    0.004094606    0.270047038
 439   Q   :    0.171557942   -0.043727028   -0.173068413
 440   Q   :    0.233391412    0.081500032   -0.185722325
 441   Q   :   -0.118462434   -0.262248797    0.014374250
 442   Q   :   -0.103261244    0.180203207    0.177269721
 443   Q   :    0.046456767   -0.116712992   -0.294549815
 444   Q   :   -0.154835880   -0.128429243    0.184724305
 445   Q   :    0.119586957    0.248177205    0.106485698
 446   Q   :   -0.023637288    0.165964707   -0.266639237
 447   Q   :   -0.144917497   -0.261363939    0.033888304
 448   Q   :    0.166602012    0.098873682    0.226494116
 449   Q   :   -0.125077229    0.193938589   -0.142023988
 450   Q   :    0.046499509   -0.031149758    0.281514103
 451   Q   :    0.066749923   -0.156024400   -0.129953482
 452   Q   :    0.166382180    0.066835031   -0.215285364
 453   Q   :    0.086584552    0.020471061    0.288634621
 454   Q   :   -0.253620673   -0.092899960   -0.070589472
 455   Q   :    0.143188520    0.010064209    0.237899084
 456   Q   :   -0.200879442   -0.181310116   -0.074268276
 457   Q   :    0.058741276    0.158957669   -0.154657026
 458   Q   :    0.159467870    0.145324957   -0.149078821
 459   Q   :   -0.002576989   -0.246043236    0.055318385
 460   Q   :   -0.160935267    0.101339043    0.098382565
 461   Q   :   -0.078400776    0.222866648    0.111970897
 462   Q   :    0.070500841   -0.242243225    0.129129345
 463   Q   :    0.015751445    0.028042846   -0.233419042
 464   Q   :   -0.167311251   -0.199055229   -0.014208673
 465   Q   :    0.020803104    0.181884259    0.136435931
 466   Q   :    0.144462069    0.016719115   -0.127589432
 467   Q   :    0.225201407    0.123189783    0.110521783
 468   Q   :   -0.009736539   -0.198283633   -0.163574850
 469   Q   :   -0.205381384    0.078306913    0.049463848
 470   Q   :   -0.113467084    0.079203741    0.269621964
 471   Q   :    0.063006848    0.176727279   -0.203141855
 472   Q   :    0.045785571   -0.266205159   -0.068808333
 473   Q   :    0.282712842    0.013276428    0.000959761
 474   Q   :   -0.169500857    0.216934551    0.061752826
 475   Q   :   -0.112105544   -0.232419910   -0.055419442
 476   Q   :    0.210173795   -0.048188957    0.127794856
 477   Q   :   -0.176906879   -0.195406924   -0.093678257
 478   Q   :   -0.038184094    0.237814301   -0.031759893
 479   Q   :   -0.131698677   -0.264185017    0.078145872
 480   Q   :    0.216339305    0.013821653   -0.175777979
 481   Q   :   -0.086146257    0.263907663    0.093374416
 482   Q   :    0.018490321   -0.179249942   -0.215918512
 483   Q   :   -0.099039334    0.261270463   -0.037089986
 484   Q   :    0.071846324   -0.082978990    0.253140606
 485   Q   :    0.113545269   -0.272584664    0.038267531
 486   Q   :    0.046557606    0.222719654    0.139193498
 487   Q   :   -0.158286244    0.038763085   -0.180760008
 488   Q   :   -0.096432344    0.162150566    0.150357584
 489   Q   :   -0.127371095   -0.245859808   -0.116099504
 490   Q   :    0.227380858    0.073500201   -0.047807385
 491   Q   :    0.001395021   -0.227797799   -0.167490036
 492   Q   :   -0.257838683    0.133975166    0.083149667
 493   Q   :    0.255514672    0.093990520    0.084373620
 494   Q   :    0.130932093    0.154837390    0.188570234
 495   Q   :   -0.064397338   -0.259153546    0.024899552
 496   Q   :   -0.062588393    0.100021593   -0.211011545
 497   Q   :   -0.216665719    0.027681672   -0.198881296
 498   Q   :    0.243979171    0.075454526   -0.053494610
 499   Q   :   -0.038777820   -0.109172309    0.243764237
 500   Q   :    0.013627831    0.142853065    0.241310845
 501   Q   :   -0.161518990   -0.235118290   -0.065659592
 502   Q   :    0.150478929    0.076569529   -0.180447113
 503   Q   :   -0.153460311    0.079220342    0.181391848
 504   Q   :   -0.079164420   -0.060320485   -0.261874982
 505   Q   :    0.245039739   -0.018135592    0.084318894
 506   Q   :   -0.122245653   -0.141148102    0.169553143
 507   Q   :   -0.024813901   -0.033143464   -0.291352170
 508   Q   :    0.161610737    0.179794647    0.118264316
 509   Q   :    0.192572669   -0.025757275    0.227713349
 510   Q   :   -0.266546342   -0.126902110   -0.008172591
 511   Q   :    0.083470437    0.158164568   -0.220169359
 512   Q   :    0.263675896    0.149492504    0.083195487
 513   Q   :   -0.237313610    0.081376228    0.067169469
 514   Q   :   -0.016191014   -0.222935141   -0.151136036
 515   Q   :   -0.203458247   -0.055612548    0.184354626
 516   Q   :    0.290323632   -0.087866308    0.007318939
 517   Q   :   -0.084021678    0.136747105   -0.193427774
 518   Q   :    0.058227983    0.014289436   -0.263194496
 519   Q   :   -0.026407611   -0.249768269    0.122460562
 520   Q   :   -0.024181303    0.228104934    0.150940111
 521   Q   :   -0.167336209   -0.198995462   -0.109936736
 522   Q   :    0.293233965   -0.043736624    0.052993596
 523   Q   :   -0.125441626    0.249504847    0.043585385
 524   Q   :    0.005489793   -0.232756644   -0.080546040
 525   Q   :   -0.222146624    0.168634656    0.062284148
 526   Q   :    0.213717016    0.067750341    0.006758105
 527   Q   :   -0.062592703    0.278287540   -0.038898817
 528   Q   :   -0.206260608   -0.210356036    0.071966842
 529   Q   :    0.276824372   -0.058431484   -0.035869447
 530   Q   :    0.203355055   -0.213686512    0.005425984
 531   Q   :    0.002125823    0.203204889   -0.127289577
 532   Q   :   -0.206959805    0.006394757    0.119224484
 533   Q   :   -0.049811684   -0.173513364   -0.232559361
 534   Q   :    0.141021152   -0.079570754    0.217348964
 535   Q   :   -0.094758100    0.260205574    0.025067537
 536   Q   :   -0.125926021    0.177647546    0.104428097
 537   Q   :    0.238437878   -0.068580593    0.019376794
 538   Q   :   -0.118505806   -0.111154214   -0.141289730
 539   Q   :   -0.061693607    0.237464439    0.070833239
 540   Q   :   -0.176814683   -0.217948526   -0.013516062
 541   Q   :    0.226152711   -0.031655311   -0.055829827
 542   Q   :   -0.222754342    0.071461619    0.172379652
 543   Q   :   -0.001186587   -0.048818849   -0.255731903
 544   Q   :    0.217608597   -0.022090230    0.088656179
 545   Q   :   -0.281074200    0.004155544    0.023827508
 546   Q   :    0.157321267   -0.238313501    0.106087553
 547   Q   :    0.121505198    0.221561919   -0.129326629
 548   Q   :   -0.143429785    0.084215141   -0.235869444
 549   Q   :    0.178782434   -0.208416367   -0.001898770
 550   Q   :   -0.028436418    0.130955291    0.242708633
 551   Q   :    0.188894911    0.070701467   -0.159153856
 552   Q   :   -0.239460665   -0.052665168   -0.057305621
 553   Q   :    0.053919790   -0.004316051    0.214039031
 554   Q   :   -0.017987140   -0.075018491   -0.268878861
 555   Q   :   -0.089088782    0.223722929    0.093305292
 556   Q   :    0.103871205   -0.157771451    0.167972103
 557   Q   :    0.295996874   -0.061970411   -0.049947551
 558   Q   :   -0.185086298   -0.164292434    0.189926715
 559   Q   :   -0.119784446    0.231130229   -0.140391058
 560   Q   :    0.192507948   -0.174790399   -0.051774639
 561   Q   :   -0.285670787   -0.053084808   -0.037847891
 562   Q   :    0.085344991    0.224636790    0.085213798
 563   Q   :   -0.076978504   -0.178259463   -0.203500878
 564   Q   :   -0.163960089    0.221271560    0.096708262
 565   Q   :    0.242611692   -0.045485348    0.113946985
 566   Q   :   -0.047904616   -0.247729662   -0.136893921
 567   Q   :    0.200090421    0.181282537   -0.071398962
 568   Q   :   -0.151558784    0.068777043    0.215956676
 569   Q   :    0.152036965    0.140269206   -0.125866548
 570   Q   :    0.050370172   -0.226555421    0.146558740
 571   Q   :   -0.204741869    0.092212494   -0.029541613
 572   Q   :    0.145230558   -0.264991380    0.029493124
 573   Q   :   -0.258903626    0.050430170    0.163275817
 574   Q   :    0.113956171    0.221561719   -0.189748383
 575   Q   :    0.162189754   -0.060847037   -0.237104816
 576   Q   :    0.121007919    0.067641167    0.256572971
 577   Q   :   -0.291078787   -0.005443537   -0.020640387
 578   Q   :    0.039445491    0.243926983    0.137466397
 579   Q   :   -0.260175068   -0.124138702    0.017712499
 580   Q   :    0.217907012   -0.110936786   -0.151625215
 581   Q   :   -0.063647288   -0.169364777    0.184506431
 582   Q   :   -0.168119183    0.168754806   -0.125501446
 583   Q   :    0.233847699    0.010028708   -0.057498038
 584   Q   :   -0.195013631   -0.162928200    0.076630702
 585   Q   :    0.179200185    0.157272152    0.235084910
 586   Q   :    0.019949556   -0.004714624   -0.307759733
 587   Q   :    0.002045288   -0.079253192    0.300727558
 588   Q   :   -0.022310518   -0.173019087   -0.204880404
 589   Q   :    0.020788849    0.259708819   -0.094537549
 590   Q   :    0.297341826    0.109087709    0.075589671
 591   Q   :   -0.120960908   -0.233460817    0.127711150
 592   Q   :   -0.165109217    0.130094912   -0.201638568
 593   Q   :    0.096360150   -0.181746072    0.227685864
 594   Q   :   -0.265433316   -0.048500516   -0.150921510
 595   Q   :    0.179364515    0.230022143   -0.074750903
 596   Q   :    0.228796206    0.065266057    0.184893054
 597   Q   :   -0.039591922   -0.211936263   -0.183816943
 598   Q   :   -0.185148018    0.141105378   -0.003883579
 599   Q   :    0.105284808   -0.243738203    0.062877794
 600   Q   :    0.068146521    0.210209817    0.064869338
 601   Q   :   -0.170382658    0.027109932   -0.134153939
 602   Q   :   -0.267083876   -0.028079439    0.118438510
 603   Q   :    0.157168489   -0.213204123   -0.084690689
 604   Q   :    0.104947432    0.245938201   -0.022044648
 605   Q   :    0.224936628    0.039162420   -0.077834297
 606   Q   :   -0.191330929   -0.216809541   -0.083830456
 607   Q   :   -0.034848277    0.180468069    0.158997506
 608   Q   :   -0.138443455   -0.184874862    0.147869870
 609   Q   :    0.006883001   -0.003132931   -0.236414827
 610   Q   :    0.125745260    0.200518237    0.104048197
 611   Q   :    0.053795321    0.268225046   -0.048423420
 612   Q   :   -0.019773835   -0.167359164    0.224445341
 613   Q   :   -0.033473547   -0.097622275   -0.166144065
 614   Q   :    0.061364474   -0.057514076   -0.240894441
 615   Q   :   -0.276011148    0.098181429    0.080304505
 616   Q   :    0.219768716   -0.033314374    0.160177985
 617   Q   :   -0.209563202    0.020870794   -0.170843126
 618   Q   :   -0.029084134   -0.014330138    0.284342925
 619   Q   :    0.240617057   -0.009960845   -0.118524508
 620   Q   :   -0.226213161   -0.065807663    0.087748364
 621   Q   :    0.142023155    0.215962027    0.069108465
 622   Q   :    0.089225796   -0.148819480   -0.155264488
 623   Q   :   -0.139394082    0.076928930    0.223758519
 624   Q   :   -0.014954014    0.142404922   -0.263792912
 625   Q   :    0.155400652   -0.219067098    0.030254391
 626   Q   :    0.228976989    0.113721532   -0.087308276
 627   Q   :   -0.147180034   -0.183528512   -0.115099524
 628   Q   :   -0.073103790    0.077304227    0.180397602
 629   Q   :   -0.081398305    0.175904028    0.172038920
 630   Q   :   -0.107486674   -0.098571852   -0.228921490
 631   Q   :    0.183755726   -0.069331891    0.051146769

Difference to translation invariance:
           :    0.0006382197    0.0001668827    0.0004348243

Difference to rotation invariance:
           :    0.0024091389    0.0055002217   -0.0065821409

Norm of the cartesian gradient     ...    6.3217792704
RMS gradient                       ...    0.1452994670
MAX gradient                       ...    0.3206655338

-------
TIMINGS
-------

Total SCF gradient time            ...      191.655 sec

One electron gradient       ....      25.897 sec  ( 13.5%)
RI-J Coulomb gradient       ....      10.311 sec  (  5.4%)
COSX gradient               ....     117.431 sec  ( 61.3%)
XC gradient                 ....      16.229 sec  (  8.5%)

Maximum memory used throughout the entire SCFGRAD-calculation: 765.2 MB

                            ***************************************
                            *     ORCA property calculations      *
                            ***************************************

                                    ---------------------
                                    Active property flags
                                    ---------------------
   (+) Dipole Moment


------------------------------------------------------------------------------
                       ORCA ELECTRIC PROPERTIES CALCULATION
------------------------------------------------------------------------------

Dipole Moment Calculation                       ... on
Quadrupole Moment Calculation                   ... off
Polarizability Calculation                      ... off
GBWName                                         ... final004.orca.gbw
Electron density                                ... final004.orca.scfp
The origin for moment calculation is the CENTER OF MASS  = (22.077623, 18.620610 20.297519)

-------------
DIPOLE MOMENT
-------------
                                X             Y             Z
Electronic contribution:     -0.30681      -0.40509      -0.48781
Nuclear contribution   :    -16.46650     -15.35601       8.28222
                        -----------------------------------------
Total Dipole Moment    :    -16.77331     -15.76110       7.79441
                        -----------------------------------------
Magnitude (a.u.)       :     24.30039
Magnitude (Debye)      :     61.76669



--------------------
Rotational spectrum 
--------------------
 
Rotational constants in cm-1:     0.002291     0.001414     0.001326 
Rotational constants in MHz :    68.673687    42.389811    39.749680 

 Dipole components along the rotational axes: 
x,y,z [a.u.] :    15.284513     5.167100    18.171238 
x,y,z [Debye]:    38.850144    13.133724    46.187615 

 

Timings for individual modules:

Sum of individual times         ...      825.040 sec (=  13.751 min)
GTO integral calculation        ...       13.278 sec (=   0.221 min)   1.6 %
SCF iterations                  ...      615.675 sec (=  10.261 min)  74.6 %
SCF Gradient evaluation         ...      196.087 sec (=   3.268 min)  23.8 %
                             ****ORCA TERMINATED NORMALLY****
TOTAL RUN TIME: 0 days 0 hours 13 minutes 52 seconds 910 msec
