
                                 *****************
                                 * 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 = final019.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  12.53  9.55  10.9  #1
| 28>   H  13.13  10.24  11.48  #2
| 29>   H  12.86  9.46  9.88  #3
| 30>   C  11.14  9.97  11.04  #4
| 31>   H  10.48  9.25  10.53  #5
| 32>   H  10.89  9.92  12.13  #6
| 33>   C  10.89  11.43  10.57  #7
| 34>   H  10.64  11.51  9.51  #8
| 35>   H  11.85  11.9  10.67  #9
| 36>   C  9.83  12.18  11.28  #10
| 37>   H  10.14  12.36  12.36  #11
| 38>   H  8.88  11.68  11.32  #12
| 39>   O  9.5  13.42  10.65  #13
| 40>   H  8.74  13.8  11.17  #14
| 41>   O  12.81  8.22  11.35  #15
| 42>   H  12.53  8.08  12.22  #16
| 43>   O  6.94  9.36  11.99  #17
| 44>   H  6.32  8.64  12.07  #18
| 45>   H  7.3  9.52  11.09  #19
| 46>   O  14.98  8.01  9.52  #20
| 47>   H  15.7  7.41  9.89  #21
| 48>   H  14.23  7.82  10.1  #22
| 49>   O  11.28  15.15  12.34  #23
| 50>   H  10.94  14.68  11.58  #24
| 51>   H  10.53  15.54  12.82  #25
| 52>   O  15.15  12.85  12.05  #26
| 53>   H  15.14  11.98  12.46  #27
| 54>   H  14.53  13.4  12.63  #28
| 55>   O  7.58  9.71  9.04  #29
| 56>   H  6.87  9.39  8.47  #30
| 57>   H  8.35  10.06  8.48  #31
| 58>   O  12.6  7.43  14.16  #32
| 59>   H  12  6.68  14  #33
| 60>   H  12.13  8.26  14.31  #34
| 61>   O  5.51  6.55  12.07  #35
| 62>   H  4.95  6.26  11.32  #36
| 63>   H  5.07  6.47  12.87  #37
| 64>   O  5.14  8.61  8.35  #38
| 65>   H  5.11  7.7  8.75  #39
| 66>   H  4.58  8.7  7.56  #40
| 67>   O  11.67  17.13  10.11  #41
| 68>   H  10.82  17.59  9.99  #42
| 69>   H  11.58  16.75  10.98  #43
| 70>   O  12.32  10.29  14.46  #44
| 71>   H  12.47  10.97  15.11  #45
| 72>   H  13.13  10.13  13.97  #46
| 73>   O  14.7  5.73  13.66  #47
| 74>   H  14.38  5.33  12.83  #48
| 75>   H  14.19  6.5  13.82  #49
| 76>   O  9.62  7.42  7.77  #50
| 77>   H  8.76  7.68  8.15  #51
| 78>   H  9.52  7.14  6.87  #52
| 79>   O  6.72  7.76  14.61  #53
| 80>   H  5.82  7.82  14.87  #54
| 81>   H  6.85  8.61  14.26  #55
| 82>   O  10.99  6.22  10  #56
| 83>   H  11.43  6.84  10.56  #57
| 84>   H  10.85  6.63  9.14  #58
| 85>   O  9.32  12.15  15.41  #59
| 86>   H  8.97  13.07  15.57  #60
| 87>   H  10.26  12.18  15.18  #61
| 88>   O  5.37  15.25  10.73  #62
| 89>   H  5.6  15.23  9.77  #63
| 90>   H  6.2  15.12  11.17  #64
| 91>   O  6.99  11.15  14.36  #65
| 92>   H  7.15  10.82  13.5  #66
| 93>   H  7.7  11.67  14.79  #67
| 94>   O  9.51  10.88  7.68  #68
| 95>   H  10.35  10.58  7.25  #69
| 96>   H  9.65  11.86  7.63  #70
| 97>   O  6.17  12.32  10.01  #71
| 98>   H  5.58  11.83  10.55  #72
| 99>   H  6.82  11.66  9.66  #73
|100>   O  9.23  16.96  13.44  #74
|101>   H  8.84  17.73  12.99  #75
|102>   H  9.95  17.37  13.93  #76
|103>   O  14.05  13.66  9.28  #77
|104>   H  14.19  12.92  8.66  #78
|105>   H  14.47  13.43  10.09  #79
|106>   O  13.25  13.91  13.77  #80
|107>   H  13.9  14.55  14.16  #81
|108>   H  12.57  14.48  13.34  #82
|109>   O  14.99  8.61  6.83  #83
|110>   H  15.9  8.55  6.53  #84
|111>   H  14.82  8.32  7.75  #85
|112>   O  14.98  10.39  13.58  #86
|113>   H  15.84  10.03  13.22  #87
|114>   H  15.19  10.51  14.57  #88
|115>   O  9.6  13.75  7.99  #89
|116>   H  9.59  13.92  8.94  #90
|117>   H  10.32  14.29  7.58  #91
|118>   O  17.32  13.73  10.6  #92
|119>   H  18.07  13.16  10.94  #93
|120>   H  16.57  13.44  11.16  #94
|121>   O  7.63  14.7  12.56  #95
|122>   H  7.14  14.2  13.23  #96
|123>   H  8.1  15.36  13.06  #97
|124>   O  16.64  5.72  10.25  #98
|125>   H  15.87  5.25  10.63  #99
|126>   H  17.17  6.04  10.97  #100
|127>   O  17.1  9.71  8.81  #101
|128>   H  17.59  8.89  8.81  #102
|129>   H  16.2  9.32  8.84  #103
|130>   Q  0.6645  11.4$  12.34$  5.58$
|131>   Q  0.6645  11.35$  10.9$  5.08$
|132>   Q  -1.3290  11.46$  11.51$  5.68$
|133>   Q  0.6645  6.75$  16.97$  7.8$
|134>   Q  0.6645  6.86$  15.45$  7.76$
|135>   Q  -1.3290  7.04$  16.23$  8.05$
|136>   Q  0.6645  20.27$  4.71$  16.38$
|137>   Q  0.6645  20.88$  6.09$  16.63$
|138>   Q  -1.3290  20.37$  5.53$  16.25$
|139>   Q  0.6645  11.26$  4.69$  13.28$
|140>   Q  0.6645  9.9$  5.6$  13.23$
|141>   Q  -1.3290  10.77$  5.43$  13.16$
|142>   Q  0.6645  2.55$  15.13$  16.14$
|143>   Q  0.6645  2.72$  16.5$  15.32$
|144>   Q  -1.3290  2.77$  15.65$  15.49$
|145>   Q  0.6645  10.56$  1.26$  14.74$
|146>   Q  0.6645  11.35$  1.05$  15.97$
|147>   Q  -1.3290  11.05$  0.8$  15.23$
|148>   Q  0.6645  2.2$  12.24$  6.63$
|149>   Q  0.6645  3.34$  11.79$  7.44$
|150>   Q  -1.3290  2.62$  11.7$  7.06$
|151>   Q  0.6645  21.3$  7.92$  14.02$
|152>   Q  0.6645  21.22$  9.29$  14.48$
|153>   Q  -1.3290  20.9$  8.63$  14.14$
|154>   Q  0.6645  14.19$  15.38$  9.61$
|155>   Q  0.6645  13.41$  16.63$  9.78$
|156>   Q  -1.3290  14.11$  16.2$  9.75$
|157>   Q  0.6645  13.09$  1.32$  11.51$
|158>   Q  0.6645  13.95$  0.97$  12.82$
|159>   Q  -1.3290  13.7$  1.44$  12.12$
|160>   Q  0.6645  6.09$  11.97$  16.62$
|161>   Q  0.6645  6.69$  12.55$  18.02$
|162>   Q  -1.3290  6.68$  12.09$  17.27$
|163>   Q  0.6645  17.11$  7.9$  13.87$
|164>   Q  0.6645  16.05$  7.02$  13.16$
|165>   Q  -1.3290  16.62$  7.62$  13.2$
|166>   Q  0.6645  15.54$  10.42$  17.05$
|167>   Q  0.6645  15.11$  11.67$  16.61$
|168>   Q  -1.3290  15.25$  10.89$  16.47$
|169>   Q  0.6645  3.28$  11.04$  10.28$
|170>   Q  0.6645  4.22$  9.85$  9.77$
|171>   Q  -1.3290  3.93$  10.47$  10.29$
|172>   Q  0.6645  17.27$  10.37$  10.56$
|173>   Q  0.6645  17.27$  9.41$  11.82$
|174>   Q  -1.3290  17.29$  10.15$  11.42$
|175>   Q  0.6645  20.11$  15.04$  8.67$
|176>   Q  0.6645  19.14$  13.99$  8.26$
|177>   Q  -1.3290  19.79$  14.46$  8.15$
|178>   Q  0.6645  14.87$  17.29$  15.79$
|179>   Q  0.6645  14.25$  18.71$  16.27$
|180>   Q  -1.3290  14.34$  17.84$  16.2$
|181>   Q  0.6645  13.1$  20.6$  13.41$
|182>   Q  0.6645  12.48$  21.71$  14.28$
|183>   Q  -1.3290  13.12$  21.24$  13.96$
|184>   Q  0.6645  18.38$  9.84$  6.48$
|185>   Q  0.6645  19.21$  10.59$  7.63$
|186>   Q  -1.3290  18.98$  10.39$  6.84$
|187>   Q  0.6645  9.63$  10.6$  16.7$
|188>   Q  0.6645  10.84$  10.03$  17.42$
|189>   Q  -1.3290  10.01$  10.1$  17.25$
|190>   Q  0.6645  14.3$  1.35$  6.08$
|191>   Q  0.6645  13.39$  0.78$  5$
|192>   Q  -1.3290  13.64$  1.35$  5.56$
|193>   Q  0.6645  4.17$  18.38$  6.29$
|194>   Q  0.6645  3.55$  19.28$  5.29$
|195>   Q  -1.3290  3.52$  18.64$  5.85$
|196>   Q  0.6645  19.13$  8.01$  14.78$
|197>   Q  0.6645  18.61$  6.72$  15.22$
|198>   Q  -1.3290  18.53$  7.51$  15.05$
|199>   Q  0.6645  13.89$  13.08$  2.42$
|200>   Q  0.6645  12.78$  14$  3.17$
|201>   Q  -1.3290  13.42$  13.79$  2.58$
|202>   Q  0.6645  6.81$  4.61$  17.04$
|203>   Q  0.6645  5.64$  3.77$  17.26$
|204>   Q  -1.3290  6.13$  4.22$  16.79$
|205>   Q  0.6645  11.21$  18.8$  15.42$
|206>   Q  0.6645  12.12$  17.62$  15.39$
|207>   Q  -1.3290  11.48$  18.06$  15.15$
|208>   Q  0.6645  18.13$  5.21$  19.32$
|209>   Q  0.6645  17.27$  5.44$  18.15$
|210>   Q  -1.3290  17.46$  5.51$  18.95$
|211>   Q  0.6645  15.41$  8.38$  17.9$
|212>   Q  0.6645  15.76$  9.17$  19.24$
|213>   Q  -1.3290  15.87$  8.9$  18.42$
|214>   Q  0.6645  15.82$  9.74$  2.57$
|215>   Q  0.6645  16.77$  8.45$  2.51$
|216>   Q  -1.3290  16.3$  9.11$  2.89$
|217>   Q  0.6645  2.13$  7.81$  10.81$
|218>   Q  0.6645  2.19$  8.6$  12.14$
|219>   Q  -1.3290  1.95$  8.01$  11.6$
|220>   Q  0.6645  12.16$  8.43$  19.28$
|221>   Q  0.6645  11.42$  8.03$  20.6$
|222>   Q  -1.3290  11.95$  7.92$  19.95$
|223>   Q  0.6645  14.5$  0.75$  14.85$
|224>   Q  0.6645  14.72$  1.62$  16.14$
|225>   Q  -1.3290  14.82$  1.39$  15.31$
|226>   Q  0.6645  5.99$  19.69$  13.92$
|227>   Q  0.6645  6.04$  18.37$  14.35$
|228>   Q  -1.3290  5.69$  18.97$  13.89$
|229>   Q  0.6645  11.77$  15.96$  7.65$
|230>   Q  0.6645  12.69$  15.04$  6.74$
|231>   Q  -1.3290  11.95$  15.44$  7.02$
|232>   Q  0.6645  7.59$  7.05$  19.53$
|233>   Q  0.6645  8.39$  7.86$  18.51$
|234>   Q  -1.3290  8.06$  7.69$  19.25$
|235>   Q  0.6645  16.16$  4.57$  8.6$
|236>   Q  0.6645  14.77$  4.39$  8$
|237>   Q  -1.3290  15.61$  4.42$  7.98$
|238>   Q  0.6645  4.94$  12.94$  8.86$
|239>   Q  0.6645  3.95$  13.92$  8.05$
|240>   Q  -1.3290  4.59$  13.34$  8.16$
|241>   Q  0.6645  10.47$  6.6$  4.73$
|242>   Q  0.6645  9.02$  7.05$  4.27$
|243>   Q  -1.3290  9.74$  7.09$  4.73$
|244>   Q  0.6645  3.16$  6.05$  9.53$
|245>   Q  0.6645  4.52$  5.34$  9.17$
|246>   Q  -1.3290  4$  5.94$  9.5$
|247>   Q  0.6645  2.57$  14.18$  3.98$
|248>   Q  0.6645  3.37$  13$  4.64$
|249>   Q  -1.3290  2.63$  13.43$  4.36$
|250>   Q  0.6645  8.1$  14.27$  21.11$
|251>   Q  0.6645  9.07$  13.15$  20.57$
|252>   Q  -1.3290  8.86$  13.95$  20.83$
|253>   Q  0.6645  15.07$  16.7$  13.61$
|254>   Q  0.6645  16.23$  15.82$  14.13$
|255>   Q  -1.3290  15.44$  16.2$  14.17$
|256>   Q  0.6645  10.49$  14.5$  18.01$
|257>   Q  0.6645  9.36$  14.77$  18.87$
|258>   Q  -1.3290  9.77$  14.82$  18.18$
|259>   Q  0.6645  5.96$  9.82$  18.4$
|260>   Q  0.6645  6.52$  8.99$  19.52$
|261>   Q  -1.3290  5.92$  9.5$  19.18$
|262>   Q  0.6645  17.64$  17.95$  7.11$
|263>   Q  0.6645  18.44$  16.99$  7.98$
|264>   Q  -1.3290  18.22$  17.35$  7.24$
|265>   Q  0.6645  18.79$  11.4$  19.93$
|266>   Q  0.6645  18.55$  11.12$  18.4$
|267>   Q  -1.3290  18.49$  11.54$  19.15$
|268>   Q  0.6645  4.14$  9.91$  15.5$
|269>   Q  0.6645  5.48$  10.62$  15.15$
|270>   Q  -1.3290  4.69$  10.54$  15.52$
|271>   Q  0.6645  9.11$  11.14$  5.34$
|272>   Q  0.6645  8.04$  12.32$  5.19$
|273>   Q  -1.3290  8.52$  11.62$  4.97$
|274>   Q  0.6645  15.46$  15.12$  3.44$
|275>   Q  0.6645  16.31$  14.24$  4.22$
|276>   Q  -1.3290  16.17$  14.77$  3.62$
|277>   Q  0.6645  7.9$  20.4$  8.88$
|278>   Q  0.6645  9$  21.16$  8.19$
|279>   Q  -1.3290  8.68$  20.59$  8.73$
|280>   Q  0.6645  7.8$  4.13$  2.19$
|281>   Q  0.6645  7.65$  5.21$  3.23$
|282>   Q  -1.3290  7.82$  4.42$  2.97$
|283>   Q  0.6645  11.5$  4.66$  3.97$
|284>   Q  0.6645  12.59$  5.71$  4.46$
|285>   Q  -1.3290  11.85$  5.29$  4.46$
|286>   Q  0.6645  9.7$  11.22$  19.58$
|287>   Q  0.6645  8.59$  11.45$  18.79$
|288>   Q  -1.3290  8.96$  11.54$  19.51$
|289>   Q  0.6645  17.06$  0.07$  10.3$
|290>   Q  0.6645  16.25$  0.79$  11.22$
|291>   Q  -1.3290  16.82$  0.27$  11.08$
|292>   Q  0.6645  11.97$  13.19$  16.81$
|293>   Q  0.6645  12.51$  13.01$  15.27$
|294>   Q  -1.3290  12.18$  12.77$  16.05$
|295>   Q  0.6645  6.79$  2.86$  15.59$
|296>   Q  0.6645  6.14$  2.22$  14.43$
|297>   Q  -1.3290  6.74$  2.31$  14.97$
|298>   Q  0.6645  6.32$  14.89$  3.84$
|299>   Q  0.6645  6.72$  15.4$  5.18$
|300>   Q  -1.3290  6.33$  15.47$  4.46$
|301>   Q  0.6645  5.97$  5.1$  13.56$
|302>   Q  0.6645  5.62$  4.71$  14.9$
|303>   Q  -1.3290  5.48$  4.77$  14.1$
|304>   Q  0.6645  7.09$  17.97$  16.33$
|305>   Q  0.6645  8.05$  18.09$  15.15$
|306>   Q  -1.3290  7.39$  17.78$  15.55$
|307>   Q  0.6645  19.76$  5.56$  4.56$
|308>   Q  0.6645  18.74$  4.96$  5.74$
|309>   Q  -1.3290  19.31$  4.97$  5.03$
|310>   Q  0.6645  3.47$  18.31$  14.33$
|311>   Q  0.6645  2.16$  18.97$  14.79$
|312>   Q  -1.3290  2.83$  18.44$  14.84$
|313>   Q  0.6645  14.56$  20.51$  8.8$
|314>   Q  0.6645  13.83$  20.42$  10.02$
|315>   Q  -1.3290  13.99$  20.77$  9.32$
|316>   Q  0.6645  14.14$  13.45$  16.93$
|317>   Q  0.6645  15.48$  14.08$  17.33$
|318>   Q  -1.3290  14.98$  13.5$  16.96$
|319>   Q  0.6645  11.14$  3.23$  15.57$
|320>   Q  0.6645  11.84$  3.88$  16.73$
|321>   Q  -1.3290  11.29$  3.35$  16.39$
|322>   Q  0.6645  14.7$  3.86$  3.1$
|323>   Q  0.6645  14.41$  2.58$  3.84$
|324>   Q  -1.3290  14.89$  3.1$  3.41$
|325>   Q  0.6645  6.59$  18.16$  2.42$
|326>   Q  0.6645  6.54$  17.15$  3.59$
|327>   Q  -1.3290  6.89$  17.74$  3.08$
|328>   Q  0.6645  19.26$  10.75$  16.27$
|329>   Q  0.6645  19.5$  12.14$  15.69$
|330>   Q  -1.3290  19.73$  11.34$  15.91$
|331>   Q  0.6645  8.76$  3.01$  8.16$
|332>   Q  0.6645  8.11$  4.37$  8.45$
|333>   Q  -1.3290  8.17$  3.6$  8.08$
|334>   Q  0.6645  18.14$  13.95$  14.92$
|335>   Q  0.6645  17.24$  13.13$  15.76$
|336>   Q  -1.3290  17.97$  13.49$  15.58$
|337>   Q  0.6645  12.26$  -0.14$  9.91$
|338>   Q  0.6645  10.87$  -0.14$  10.68$
|339>   Q  -1.3290  11.58$  0.21$  10.31$
|340>   Q  0.6645  18.03$  3.08$  13.82$
|341>   Q  0.6645  18.9$  1.88$  13.56$
|342>   Q  -1.3290  18.67$  2.55$  13.97$
|343>   Q  0.6645  11$  14.39$  3.28$
|344>   Q  0.6645  11.44$  14.78$  4.64$
|345>   Q  -1.3290  11.36$  14.26$  4.02$
|346>   Q  0.6645  9.4$  2.84$  13.01$
|347>   Q  0.6645  8.62$  2.11$  14.22$
|348>   Q  -1.3290  9.27$  2.48$  13.78$
|349>   Q  0.6645  18.5$  16.01$  13.36$
|350>   Q  0.6645  18.42$  16.16$  14.91$
|351>   Q  -1.3290  18.21$  15.83$  14.15$
|352>   Q  0.6645  8.56$  0.93$  9.98$
|353>   Q  0.6645  8.67$  1.88$  11.03$
|354>   Q  -1.3290  8.35$  1.22$  10.68$
|355>   Q  0.6645  19.63$  7.91$  8.58$
|356>   Q  0.6645  18.66$  7.18$  9.67$
|357>   Q  -1.3290  18.89$  7.61$  8.93$
|358>   Q  0.6645  9.76$  19.77$  10.42$
|359>   Q  0.6645  9.59$  19.84$  11.92$
|360>   Q  -1.3290  10.01$  19.91$  11.2$
|361>   Q  0.6645  18.19$  3.7$  16.55$
|362>   Q  0.6645  16.87$  3.51$  15.79$
|363>   Q  -1.3290  17.37$  3.85$  16.38$
|364>   Q  0.6645  13.68$  4.11$  17.42$
|365>   Q  0.6645  13.28$  4.95$  18.66$
|366>   Q  -1.3290  13.37$  4.77$  17.81$
|367>   Q  0.6645  6.22$  19.29$  9.85$
|368>   Q  0.6645  5.52$  20.45$  9.23$
|369>   Q  -1.3290  6.08$  20.09$  9.72$
|370>   Q  0.6645  10.56$  2$  7.75$
|371>   Q  0.6645  10.72$  1.67$  9.26$
|372>   Q  -1.3290  10.29$  1.84$  8.54$
|373>   Q  0.6645  2.6$  8.06$  6.15$
|374>   Q  0.6645  2.77$  9.58$  6.27$
|375>   Q  -1.3290  3.03$  8.8$  6.17$
|376>   Q  0.6645  1.61$  12.57$  15.74$
|377>   Q  0.6645  0.49$  13.36$  16.56$
|378>   Q  -1.3290  1.17$  12.83$  16.44$
|379>   Q  0.6645  19.09$  12.2$  5.47$
|380>   Q  0.6645  18.72$  13.48$  4.63$
|381>   Q  -1.3290  18.87$  12.66$  4.79$
|382>   Q  0.6645  12.46$  4.19$  8.03$
|383>   Q  0.6645  12.36$  5.25$  9.12$
|384>   Q  -1.3290  12.71$  4.59$  8.76$
|385>   Q  0.6645  15.43$  16.91$  5.37$
|386>   Q  0.6645  14.54$  17.77$  4.42$
|387>   Q  -1.3290  15.3$  17.41$  4.7$
|388>   Q  0.6645  14.75$  17.29$  11.31$
|389>   Q  0.6645  15.22$  18.46$  12.46$
|390>   Q  -1.3290  14.8$  17.75$  12.08$
|391>   Q  0.6645  8.77$  6.14$  10.49$
|392>   Q  0.6645  7.42$  6.04$  10.96$
|393>   Q  -1.3290  8.03$  5.82$  10.47$
|394>   Q  0.6645  12.32$  2.72$  6.26$
|395>   Q  0.6645  11.58$  4.07$  6.02$
|396>   Q  -1.3290  11.87$  3.4$  6.48$
|397>   Q  0.6645  4.82$  2.76$  10.97$
|398>   Q  0.6645  4.67$  4.02$  11.77$
|399>   Q  -1.3290  4.48$  3.24$  11.58$
|400>   Q  0.6645  9.12$  17.06$  8.18$
|401>   Q  0.6645  9.27$  18.53$  7.89$
|402>   Q  -1.3290  9.54$  17.74$  7.99$
|403>   Q  0.6645  7.83$  18.54$  4.7$
|404>   Q  0.6645  8.75$  19.68$  5.11$
|405>   Q  -1.3290  8.32$  18.95$  5.25$
|406>   Q  0.6645  6.65$  14.86$  17.16$
|407>   Q  0.6645  5.14$  15.05$  17.62$
|408>   Q  -1.3290  5.99$  14.85$  17.67$
|409>   Q  0.6645  13.65$  19.3$  7.32$
|410>   Q  0.6645  14.93$  18.66$  7.11$
|411>   Q  -1.3290  14.41$  19.27$  7.04$
|412>   Q  0.6645  18.8$  8.96$  2.04$
|413>   Q  0.6645  19.1$  8.81$  3.6$
|414>   Q  -1.3290  19.08$  8.58$  2.77$
|415>   Q  0.6645  13.65$  12.1$  20.43$
|416>   Q  0.6645  12.35$  11.77$  21.03$
|417>   Q  -1.3290  12.86$  11.86$  20.37$
|418>   Q  0.6645  11.5$  10.73$  1.1$
|419>   Q  0.6645  10.27$  11.66$  1.05$
|420>   Q  -1.3290  10.87$  11.16$  0.71$
|421>   Q  0.6645  1.58$  15.02$  11.49$
|422>   Q  0.6645  0.29$  15.26$  10.56$
|423>   Q  -1.3290  1.08$  14.97$  10.77$
|424>   Q  0.6645  16.24$  16.34$  7.35$
|425>   Q  0.6645  15.31$  16.79$  8.25$
|426>   Q  -1.3290  15.6$  16.8$  7.5$
|427>   Q  0.6645  14.05$  6.43$  17.14$
|428>   Q  0.6645  13.66$  7.58$  16.24$
|429>   Q  -1.3290  14.15$  7.18$  16.79$
|430>   Q  0.6645  8.62$  4.05$  11.44$
|431>   Q  0.6645  10.11$  3.9$  11.1$
|432>   Q  -1.3290  9.36$  3.66$  11.39$
|433>   Q  0.6645  20.37$  12.04$  12.03$
|434>   Q  0.6645  18.91$  11.35$  12$
|435>   Q  -1.3290  19.5$  12.01$  11.97$
|436>   Q  0.6645  8.74$  14.96$  16.56$
|437>   Q  0.6645  8.01$  15.86$  15.59$
|438>   Q  -1.3290  8.26$  15.14$  15.89$
|439>   Q  0.6645  7.21$  3.94$  6.53$
|440>   Q  0.6645  6.95$  3.84$  4.94$
|441>   Q  -1.3290  6.75$  3.92$  5.78$
|442>   Q  0.6645  14.49$  3.25$  11.41$
|443>   Q  0.6645  13.93$  4.17$  10.3$
|444>   Q  -1.3290  14.37$  3.99$  11.01$
|445>   Q  0.6645  1.68$  15.67$  14.02$
|446>   Q  0.6645  0.27$  15.11$  13.5$
|447>   Q  -1.3290  1.02$  15.53$  13.46$
|448>   Q  0.6645  20.58$  10.63$  6.01$
|449>   Q  0.6645  21.66$  11.6$  5.77$
|450>   Q  -1.3290  21.37$  10.84$  5.79$
|451>   Q  0.6645  17.72$  7.88$  5.68$
|452>   Q  0.6645  17.01$  8.71$  4.6$
|453>   Q  -1.3290  17.5$  8.58$  5.31$
|454>   Q  0.6645  16.56$  15.11$  19.07$
|455>   Q  0.6645  15.21$  15.82$  18.9$
|456>   Q  -1.3290  15.93$  15.46$  18.64$
|457>   Q  0.6645  14.14$  13.18$  5.88$
|458>   Q  0.6645  14.95$  14.48$  6.37$
|459>   Q  -1.3290  14.24$  13.96$  6.22$
|460>   Q  0.6645  19.52$  5.95$  11.91$
|461>   Q  0.6645  18.43$  6.96$  12.26$
|462>   Q  -1.3290  19.03$  6.63$  11.76$
|463>   Q  0.6645  10.52$  16.89$  20.18$
|464>   Q  0.6645  9.91$  16.8$  18.82$
|465>   Q  -1.3290  10.24$  17.2$  19.48$
|466>   Q  0.6645  15.9$  11.62$  5.72$
|467>   Q  0.6645  17.03$  11.91$  4.71$
|468>   Q  -1.3290  16.23$  11.92$  5$
|469>   Q  0.6645  16.72$  2.77$  17.7$
|470>   Q  0.6645  16.18$  2$  19.02$
|471>   Q  -1.3290  16.52$  2.08$  18.2$
|472>   Q  0.6645  5.92$  13.26$  2.07$
|473>   Q  0.6645  7.41$  13.4$  2.23$
|474>   Q  -1.3290  6.62$  13.54$  2.43$
|475>   Q  0.6645  9.94$  17.66$  5.41$
|476>   Q  0.6645  11.04$  16.64$  5.79$
|477>   Q  -1.3290  10.64$  17.16$  5.27$
|478>   Q  0.6645  8.03$  7.4$  16.01$
|479>   Q  0.6645  9.12$  8.43$  16.57$
|480>   Q  -1.3290  8.63$  7.72$  16.54$
|481>   Q  0.6645  14.22$  6.58$  2.83$
|482>   Q  0.6645  13.68$  5.62$  1.68$
|483>   Q  -1.3290  14.1$  5.86$  2.39$
|484>   Q  0.6645  7.25$  7.6$  2.72$
|485>   Q  0.6645  7.09$  7.69$  4.24$
|486>   Q  -1.3290  7.28$  7.3$  3.53$
|487>   Q  0.6645  21.68$  9.32$  8.2$
|488>   Q  0.6645  21.96$  7.97$  8.83$
|489>   Q  -1.3290  21.49$  8.61$  8.56$
|490>   Q  0.6645  20.29$  13.56$  13.83$
|491>   Q  0.6645  21.6$  13.28$  14.33$
|492>   Q  -1.3290  21.01$  13.76$  14.11$
|493>   Q  0.6645  19.59$  11.17$  10.1$
|494>   Q  0.6645  20.24$  12.46$  9.47$
|495>   Q  -1.3290  19.79$  11.72$  9.47$
|496>   Q  0.6645  3.09$  10.73$  13.44$
|497>   Q  0.6645  3.78$  10.29$  12.21$
|498>   Q  -1.3290  3.39$  10.13$  12.93$
|499>   Q  0.6645  13.79$  10.5$  1.97$
|500>   Q  0.6645  13.33$  9.23$  1.31$
|501>   Q  -1.3290  13.2$  9.94$  1.78$
|502>   Q  0.6645  13.26$  4.35$  14.23$
|503>   Q  0.6645  12.96$  2.87$  13.83$
|504>   Q  -1.3290  12.78$  3.64$  14.11$
|505>   Q  0.6645  11.83$  19.85$  11.69$
|506>   Q  0.6645  12.94$  18.88$  11.83$
|507>   Q  -1.3290  12.62$  19.63$  11.78$
|508>   Q  0.6645  20.09$  4.06$  13.31$
|509>   Q  0.6645  20.38$  5.16$  14.35$
|510>   Q  -1.3290  20.36$  4.82$  13.56$
|511>   Q  0.6645  3.61$  14.65$  13.24$
|512>   Q  0.6645  4.19$  14.39$  11.79$
|513>   Q  -1.3290  3.64$  14.3$  12.47$
|514>   Q  0.6645  15.88$  2.73$  14.24$
|515>   Q  0.6645  15.88$  4.1$  13.53$
|516>   Q  -1.3290  16.19$  3.34$  13.74$
|517>   Q  0.6645  1.77$  11.86$  9.03$
|518>   Q  0.6645  1.6$  13.07$  9.93$
|519>   Q  -1.3290  1.8$  12.27$  9.73$
|520>   Q  0.6645  12.57$  18.54$  2.96$
|521>   Q  0.6645  12.14$  17.9$  4.32$
|522>   Q  -1.3290  12.7$  18.19$  3.73$
|523>   Q  0.6645  10.88$  8.51$  4.03$
|524>   Q  0.6645  11.93$  9.62$  3.54$
|525>   Q  -1.3290  11.32$  9.25$  4.09$
|526>   Q  0.6645  13.55$  16.95$  17.93$
|527>   Q  0.6645  12.95$  17.28$  19.23$
|528>   Q  -1.3290  13.33$  16.75$  18.7$
|529>   Q  0.6645  0.03$  10.59$  11.81$
|530>   Q  0.6645  0.8$  11.8$  11.27$
|531>   Q  -1.3290  0.3$  11.39$  11.83$
|532>   Q  0.6645  16.02$  2.63$  7.09$
|533>   Q  0.6645  16.76$  1.48$  6.34$
|534>   Q  -1.3290  16.21$  1.84$  6.91$
|535>   Q  0.6645  5.61$  12.49$  4.16$
|536>   Q  0.6645  4.77$  11.29$  4.62$
|537>   Q  -1.3290  4.99$  12.1$  4.57$
|538>   Q  0.6645  12.46$  13.2$  19.03$
|539>   Q  0.6645  12.67$  14.71$  18.68$
|540>   Q  -1.3290  12.39$  13.9$  18.57$
|541>   Q  0.6645  8.75$  11.88$  2.95$
|542>   Q  0.6645  8.29$  11.59$  1.46$
|543>   Q  -1.3290  8.72$  11.97$  2.1$
|544>   Q  0.6645  5.01$  18.24$  12.1$
|545>   Q  0.6645  4.8$  17.12$  10.92$
|546>   Q  -1.3290  4.79$  17.89$  11.33$
|547>   Q  0.6645  14.79$  7.67$  21.69$
|548>   Q  0.6645  13.36$  8.05$  21.05$
|549>   Q  -1.3290  14.02$  8.11$  21.62$
|550>   Q  0.6645  10.83$  6.35$  19.58$
|551>   Q  0.6645  9.54$  5.54$  19.37$
|552>   Q  -1.3290  10.25$  5.73$  19.75$
|553>   Q  0.6645  8.84$  5.74$  17.19$
|554>   Q  0.6645  9.53$  4.34$  17.33$
|555>   Q  -1.3290  8.89$  4.93$  17.35$
|556>   Q  0.6645  7.91$  14.03$  7.13$
|557>   Q  0.6645  6.43$  13.52$  7.04$
|558>   Q  -1.3290  7.16$  13.93$  6.79$
|559>   Q  0.6645  5.8$  19.65$  7.13$
|560>   Q  0.6645  6.86$  18.94$  6.41$
|561>   Q  -1.3290  6.23$  18.97$  6.96$
|562>   Q  0.6645  15.81$  11.93$  1.66$
|563>   Q  0.6645  15.3$  11.76$  3.12$
|564>   Q  -1.3290  15.25$  11.69$  2.26$
|565>   Q  0.6645  6.96$  10.04$  5.01$
|566>   Q  0.6645  5.66$  9.26$  5.09$
|567>   Q  -1.3290  6.5$  9.35$  5.13$
|568>   Q  0.6645  17.53$  14.97$  6.08$
|569>   Q  0.6645  16.83$  13.87$  6.95$
|570>   Q  -1.3290  16.86$  14.59$  6.5$
|571>   Q  0.6645  8.7$  16.25$  2.88$
|572>   Q  0.6645  10.06$  16.51$  3.64$
|573>   Q  -1.3290  9.57$  16.24$  3.02$
|574>   Q  0.6645  17.64$  17.18$  10.59$
|575>   Q  0.6645  17.18$  15.84$  10.06$
|576>   Q  -1.3290  17.51$  16.6$  10.01$
|577>   Q  0.6645  5.72$  19.35$  17.76$
|578>   Q  0.6645  7.01$  20$  17.88$
|579>   Q  -1.3290  6.54$  19.35$  17.86$
|580>   Q  0.6645  7.94$  4.51$  14.16$
|581>   Q  0.6645  7.47$  5.89$  13.96$
|582>   Q  -1.3290  7.89$  5.22$  13.73$
|583>   Q  0.6645  13.4$  9.91$  17.52$
|584>   Q  0.6645  12.69$  10.59$  18.63$
|585>   Q  -1.3290  12.8$  9.96$  18.09$
|586>   Q  0.6645  13.88$  1.28$  18.23$
|587>   Q  0.6645  12.66$  1.96$  17.82$
|588>   Q  -1.3290  13.45$  1.88$  17.82$
|589>   Q  0.6645  1.71$  14.92$  8.86$
|590>   Q  0.6645  1.76$  14.61$  7.34$
|591>   Q  -1.3290  2.09$  14.77$  8.11$
|592>   Q  0.6645  3.05$  7.44$  15.08$
|593>   Q  0.6645  3.54$  8.52$  14.16$
|594>   Q  -1.3290  3.58$  8.02$  14.84$
|595>   Q  0.6645  9.01$  20.11$  14.27$
|596>   Q  0.6645  8.11$  20.57$  13.11$
|597>   Q  -1.3290  8.55$  20.02$  13.57$
|598>   Q  0.6645  17.14$  5.99$  7.12$
|599>   Q  0.6645  18.29$  6.83$  7.42$
|600>   Q  -1.3290  17.86$  6.31$  6.94$
|601>   Q  0.6645  14.39$  10.6$  7.38$
|602>   Q  0.6645  13.28$  11.39$  6.83$
|603>   Q  -1.3290  14.02$  11.29$  7.17$
|604>   Q  0.6645  13.94$  7.99$  5.38$
|605>   Q  0.6645  12.58$  7.88$  4.88$
|606>   Q  -1.3290  13.39$  7.71$  4.87$
|607>   Q  0.6645  4.16$  3.48$  7.73$
|608>   Q  0.6645  5.24$  4.27$  7.01$
|609>   Q  -1.3290  4.7$  4.12$  7.65$
|610>   Q  0.6645  17.73$  9.23$  17.94$
|611>   Q  0.6645  18.32$  8.67$  16.69$
|612>   Q  -1.3290  18.34$  9.1$  17.41$
|613>   Q  0.6645  20.69$  9.33$  10.23$
|614>   Q  0.6645  20.38$  8.64$  11.55$
|615>   Q  -1.3290  20.51$  9.3$  11.04$
|616>   Q  0.6645  19.48$  18.1$  12.39$
|617>   Q  0.6645  17.92$  18.12$  12.45$
|618>   Q  -1.3290  18.67$  17.8$  12.26$
|619>   Q  0.6645  17.52$  11.76$  8.08$
|620>   Q  0.6645  16.95$  12.76$  9.09$
|621>   Q  -1.3290  17.09$  12.44$  8.33$
|622>   Q  0.6645  7.08$  22.22$  12.1$
|623>   Q  0.6645  6.35$  20.96$  11.59$
|624>   Q  -1.3290  6.58$  21.54$  12.16$
|625>   Q  0.6645  9.15$  8.71$  20.56$
|626>   Q  0.6645  10.04$  9.73$  21.45$
|627>   Q  -1.3290  9.72$  8.94$  21.18$
|628>   Q  0.6645  6.35$  2.76$  8.88$
|629>   Q  0.6645  6.74$  1.69$  10.07$
|630>   Q  -1.3290  6.24$  2.18$  9.54$
|631>   Q  0.6645  8.73$  21.11$  16.26$
|632>   Q  0.6645  10.38$  20.99$  15.76$
|633>   Q  -1.3290  9.53$  20.71$  16$
|634>   Q  0.6645  1.38$  11.92$  13.54$
|635>   Q  0.6645  2.43$  12.89$  13.62$
|636>   Q  -1.3290  2.02$  12.28$  13.92$
|637>   Q  0.6645  3.23$  18.7$  10.26$
|638>   Q  0.6645  1.89$  19.1$  9.59$
|639>   Q  -1.3290  2.67$  19.26$  9.89$
|640>   Q  0.6645  6.26$  14.56$  19.61$
|641>   Q  0.6645  5.69$  13.78$  20.68$
|642>   Q  -1.3290  6.12$  14.43$  20.42$
|643> *
|644> 
|645>                          ****END OF INPUT****
================================================================================

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

---------------------------------
CARTESIAN COORDINATES (ANGSTROEM)
---------------------------------
  C     12.530000    9.550000   10.900000
  H     13.130000   10.240000   11.480000
  H     12.860000    9.460000    9.880000
  C     11.140000    9.970000   11.040000
  H     10.480000    9.250000   10.530000
  H     10.890000    9.920000   12.130000
  C     10.890000   11.430000   10.570000
  H     10.640000   11.510000    9.510000
  H     11.850000   11.900000   10.670000
  C      9.830000   12.180000   11.280000
  H     10.140000   12.360000   12.360000
  H      8.880000   11.680000   11.320000
  O      9.500000   13.420000   10.650000
  H      8.740000   13.800000   11.170000
  O     12.810000    8.220000   11.350000
  H     12.530000    8.080000   12.220000
  O      6.940000    9.360000   11.990000
  H      6.320000    8.640000   12.070000
  H      7.300000    9.520000   11.090000
  O     14.980000    8.010000    9.520000
  H     15.700000    7.410000    9.890000
  H     14.230000    7.820000   10.100000
  O     11.280000   15.150000   12.340000
  H     10.940000   14.680000   11.580000
  H     10.530000   15.540000   12.820000
  O     15.150000   12.850000   12.050000
  H     15.140000   11.980000   12.460000
  H     14.530000   13.400000   12.630000
  O      7.580000    9.710000    9.040000
  H      6.870000    9.390000    8.470000
  H      8.350000   10.060000    8.480000
  O     12.600000    7.430000   14.160000
  H     12.000000    6.680000   14.000000
  H     12.130000    8.260000   14.310000
  O      5.510000    6.550000   12.070000
  H      4.950000    6.260000   11.320000
  H      5.070000    6.470000   12.870000
  O      5.140000    8.610000    8.350000
  H      5.110000    7.700000    8.750000
  H      4.580000    8.700000    7.560000
  O     11.670000   17.130000   10.110000
  H     10.820000   17.590000    9.990000
  H     11.580000   16.750000   10.980000
  O     12.320000   10.290000   14.460000
  H     12.470000   10.970000   15.110000
  H     13.130000   10.130000   13.970000
  O     14.700000    5.730000   13.660000
  H     14.380000    5.330000   12.830000
  H     14.190000    6.500000   13.820000
  O      9.620000    7.420000    7.770000
  H      8.760000    7.680000    8.150000
  H      9.520000    7.140000    6.870000
  O      6.720000    7.760000   14.610000
  H      5.820000    7.820000   14.870000
  H      6.850000    8.610000   14.260000
  O     10.990000    6.220000   10.000000
  H     11.430000    6.840000   10.560000
  H     10.850000    6.630000    9.140000
  O      9.320000   12.150000   15.410000
  H      8.970000   13.070000   15.570000
  H     10.260000   12.180000   15.180000
  O      5.370000   15.250000   10.730000
  H      5.600000   15.230000    9.770000
  H      6.200000   15.120000   11.170000
  O      6.990000   11.150000   14.360000
  H      7.150000   10.820000   13.500000
  H      7.700000   11.670000   14.790000
  O      9.510000   10.880000    7.680000
  H     10.350000   10.580000    7.250000
  H      9.650000   11.860000    7.630000
  O      6.170000   12.320000   10.010000
  H      5.580000   11.830000   10.550000
  H      6.820000   11.660000    9.660000
  O      9.230000   16.960000   13.440000
  H      8.840000   17.730000   12.990000
  H      9.950000   17.370000   13.930000
  O     14.050000   13.660000    9.280000
  H     14.190000   12.920000    8.660000
  H     14.470000   13.430000   10.090000
  O     13.250000   13.910000   13.770000
  H     13.900000   14.550000   14.160000
  H     12.570000   14.480000   13.340000
  O     14.990000    8.610000    6.830000
  H     15.900000    8.550000    6.530000
  H     14.820000    8.320000    7.750000
  O     14.980000   10.390000   13.580000
  H     15.840000   10.030000   13.220000
  H     15.190000   10.510000   14.570000
  O      9.600000   13.750000    7.990000
  H      9.590000   13.920000    8.940000
  H     10.320000   14.290000    7.580000
  O     17.320000   13.730000   10.600000
  H     18.070000   13.160000   10.940000
  H     16.570000   13.440000   11.160000
  O      7.630000   14.700000   12.560000
  H      7.140000   14.200000   13.230000
  H      8.100000   15.360000   13.060000
  O     16.640000    5.720000   10.250000
  H     15.870000    5.250000   10.630000
  H     17.170000    6.040000   10.970000
  O     17.100000    9.710000    8.810000
  H     17.590000    8.890000    8.810000
  H     16.200000    9.320000    8.840000
  Q     11.400000   12.340000    5.580000
  Q     11.350000   10.900000    5.080000
  Q     11.460000   11.510000    5.680000
  Q      6.750000   16.970000    7.800000
  Q      6.860000   15.450000    7.760000
  Q      7.040000   16.230000    8.050000
  Q     20.270000    4.710000   16.380000
  Q     20.880000    6.090000   16.630000
  Q     20.370000    5.530000   16.250000
  Q     11.260000    4.690000   13.280000
  Q      9.900000    5.600000   13.230000
  Q     10.770000    5.430000   13.160000
  Q      2.550000   15.130000   16.140000
  Q      2.720000   16.500000   15.320000
  Q      2.770000   15.650000   15.490000
  Q     10.560000    1.260000   14.740000
  Q     11.350000    1.050000   15.970000
  Q     11.050000    0.800000   15.230000
  Q      2.200000   12.240000    6.630000
  Q      3.340000   11.790000    7.440000
  Q      2.620000   11.700000    7.060000
  Q     21.300000    7.920000   14.020000
  Q     21.220000    9.290000   14.480000
  Q     20.900000    8.630000   14.140000
  Q     14.190000   15.380000    9.610000
  Q     13.410000   16.630000    9.780000
  Q     14.110000   16.200000    9.750000
  Q     13.090000    1.320000   11.510000
  Q     13.950000    0.970000   12.820000
  Q     13.700000    1.440000   12.120000
  Q      6.090000   11.970000   16.620000
  Q      6.690000   12.550000   18.020000
  Q      6.680000   12.090000   17.270000
  Q     17.110000    7.900000   13.870000
  Q     16.050000    7.020000   13.160000
  Q     16.620000    7.620000   13.200000
  Q     15.540000   10.420000   17.050000
  Q     15.110000   11.670000   16.610000
  Q     15.250000   10.890000   16.470000
  Q      3.280000   11.040000   10.280000
  Q      4.220000    9.850000    9.770000
  Q      3.930000   10.470000   10.290000
  Q     17.270000   10.370000   10.560000
  Q     17.270000    9.410000   11.820000
  Q     17.290000   10.150000   11.420000
  Q     20.110000   15.040000    8.670000
  Q     19.140000   13.990000    8.260000
  Q     19.790000   14.460000    8.150000
  Q     14.870000   17.290000   15.790000
  Q     14.250000   18.710000   16.270000
  Q     14.340000   17.840000   16.200000
  Q     13.100000   20.600000   13.410000
  Q     12.480000   21.710000   14.280000
  Q     13.120000   21.240000   13.960000
  Q     18.380000    9.840000    6.480000
  Q     19.210000   10.590000    7.630000
  Q     18.980000   10.390000    6.840000
  Q      9.630000   10.600000   16.700000
  Q     10.840000   10.030000   17.420000
  Q     10.010000   10.100000   17.250000
  Q     14.300000    1.350000    6.080000
  Q     13.390000    0.780000    5.000000
  Q     13.640000    1.350000    5.560000
  Q      4.170000   18.380000    6.290000
  Q      3.550000   19.280000    5.290000
  Q      3.520000   18.640000    5.850000
  Q     19.130000    8.010000   14.780000
  Q     18.610000    6.720000   15.220000
  Q     18.530000    7.510000   15.050000
  Q     13.890000   13.080000    2.420000
  Q     12.780000   14.000000    3.170000
  Q     13.420000   13.790000    2.580000
  Q      6.810000    4.610000   17.040000
  Q      5.640000    3.770000   17.260000
  Q      6.130000    4.220000   16.790000
  Q     11.210000   18.800000   15.420000
  Q     12.120000   17.620000   15.390000
  Q     11.480000   18.060000   15.150000
  Q     18.130000    5.210000   19.320000
  Q     17.270000    5.440000   18.150000
  Q     17.460000    5.510000   18.950000
  Q     15.410000    8.380000   17.900000
  Q     15.760000    9.170000   19.240000
  Q     15.870000    8.900000   18.420000
  Q     15.820000    9.740000    2.570000
  Q     16.770000    8.450000    2.510000
  Q     16.300000    9.110000    2.890000
  Q      2.130000    7.810000   10.810000
  Q      2.190000    8.600000   12.140000
  Q      1.950000    8.010000   11.600000
  Q     12.160000    8.430000   19.280000
  Q     11.420000    8.030000   20.600000
  Q     11.950000    7.920000   19.950000
  Q     14.500000    0.750000   14.850000
  Q     14.720000    1.620000   16.140000
  Q     14.820000    1.390000   15.310000
  Q      5.990000   19.690000   13.920000
  Q      6.040000   18.370000   14.350000
  Q      5.690000   18.970000   13.890000
  Q     11.770000   15.960000    7.650000
  Q     12.690000   15.040000    6.740000
  Q     11.950000   15.440000    7.020000
  Q      7.590000    7.050000   19.530000
  Q      8.390000    7.860000   18.510000
  Q      8.060000    7.690000   19.250000
  Q     16.160000    4.570000    8.600000
  Q     14.770000    4.390000    8.000000
  Q     15.610000    4.420000    7.980000
  Q      4.940000   12.940000    8.860000
  Q      3.950000   13.920000    8.050000
  Q      4.590000   13.340000    8.160000
  Q     10.470000    6.600000    4.730000
  Q      9.020000    7.050000    4.270000
  Q      9.740000    7.090000    4.730000
  Q      3.160000    6.050000    9.530000
  Q      4.520000    5.340000    9.170000
  Q      4.000000    5.940000    9.500000
  Q      2.570000   14.180000    3.980000
  Q      3.370000   13.000000    4.640000
  Q      2.630000   13.430000    4.360000
  Q      8.100000   14.270000   21.110000
  Q      9.070000   13.150000   20.570000
  Q      8.860000   13.950000   20.830000
  Q     15.070000   16.700000   13.610000
  Q     16.230000   15.820000   14.130000
  Q     15.440000   16.200000   14.170000
  Q     10.490000   14.500000   18.010000
  Q      9.360000   14.770000   18.870000
  Q      9.770000   14.820000   18.180000
  Q      5.960000    9.820000   18.400000
  Q      6.520000    8.990000   19.520000
  Q      5.920000    9.500000   19.180000
  Q     17.640000   17.950000    7.110000
  Q     18.440000   16.990000    7.980000
  Q     18.220000   17.350000    7.240000
  Q     18.790000   11.400000   19.930000
  Q     18.550000   11.120000   18.400000
  Q     18.490000   11.540000   19.150000
  Q      4.140000    9.910000   15.500000
  Q      5.480000   10.620000   15.150000
  Q      4.690000   10.540000   15.520000
  Q      9.110000   11.140000    5.340000
  Q      8.040000   12.320000    5.190000
  Q      8.520000   11.620000    4.970000
  Q     15.460000   15.120000    3.440000
  Q     16.310000   14.240000    4.220000
  Q     16.170000   14.770000    3.620000
  Q      7.900000   20.400000    8.880000
  Q      9.000000   21.160000    8.190000
  Q      8.680000   20.590000    8.730000
  Q      7.800000    4.130000    2.190000
  Q      7.650000    5.210000    3.230000
  Q      7.820000    4.420000    2.970000
  Q     11.500000    4.660000    3.970000
  Q     12.590000    5.710000    4.460000
  Q     11.850000    5.290000    4.460000
  Q      9.700000   11.220000   19.580000
  Q      8.590000   11.450000   18.790000
  Q      8.960000   11.540000   19.510000
  Q     17.060000    0.070000   10.300000
  Q     16.250000    0.790000   11.220000
  Q     16.820000    0.270000   11.080000
  Q     11.970000   13.190000   16.810000
  Q     12.510000   13.010000   15.270000
  Q     12.180000   12.770000   16.050000
  Q      6.790000    2.860000   15.590000
  Q      6.140000    2.220000   14.430000
  Q      6.740000    2.310000   14.970000
  Q      6.320000   14.890000    3.840000
  Q      6.720000   15.400000    5.180000
  Q      6.330000   15.470000    4.460000
  Q      5.970000    5.100000   13.560000
  Q      5.620000    4.710000   14.900000
  Q      5.480000    4.770000   14.100000
  Q      7.090000   17.970000   16.330000
  Q      8.050000   18.090000   15.150000
  Q      7.390000   17.780000   15.550000
  Q     19.760000    5.560000    4.560000
  Q     18.740000    4.960000    5.740000
  Q     19.310000    4.970000    5.030000
  Q      3.470000   18.310000   14.330000
  Q      2.160000   18.970000   14.790000
  Q      2.830000   18.440000   14.840000
  Q     14.560000   20.510000    8.800000
  Q     13.830000   20.420000   10.020000
  Q     13.990000   20.770000    9.320000
  Q     14.140000   13.450000   16.930000
  Q     15.480000   14.080000   17.330000
  Q     14.980000   13.500000   16.960000
  Q     11.140000    3.230000   15.570000
  Q     11.840000    3.880000   16.730000
  Q     11.290000    3.350000   16.390000
  Q     14.700000    3.860000    3.100000
  Q     14.410000    2.580000    3.840000
  Q     14.890000    3.100000    3.410000
  Q      6.590000   18.160000    2.420000
  Q      6.540000   17.150000    3.590000
  Q      6.890000   17.740000    3.080000
  Q     19.260000   10.750000   16.270000
  Q     19.500000   12.140000   15.690000
  Q     19.730000   11.340000   15.910000
  Q      8.760000    3.010000    8.160000
  Q      8.110000    4.370000    8.450000
  Q      8.170000    3.600000    8.080000
  Q     18.140000   13.950000   14.920000
  Q     17.240000   13.130000   15.760000
  Q     17.970000   13.490000   15.580000
  Q     12.260000   -0.140000    9.910000
  Q     10.870000   -0.140000   10.680000
  Q     11.580000    0.210000   10.310000
  Q     18.030000    3.080000   13.820000
  Q     18.900000    1.880000   13.560000
  Q     18.670000    2.550000   13.970000
  Q     11.000000   14.390000    3.280000
  Q     11.440000   14.780000    4.640000
  Q     11.360000   14.260000    4.020000
  Q      9.400000    2.840000   13.010000
  Q      8.620000    2.110000   14.220000
  Q      9.270000    2.480000   13.780000
  Q     18.500000   16.010000   13.360000
  Q     18.420000   16.160000   14.910000
  Q     18.210000   15.830000   14.150000
  Q      8.560000    0.930000    9.980000
  Q      8.670000    1.880000   11.030000
  Q      8.350000    1.220000   10.680000
  Q     19.630000    7.910000    8.580000
  Q     18.660000    7.180000    9.670000
  Q     18.890000    7.610000    8.930000
  Q      9.760000   19.770000   10.420000
  Q      9.590000   19.840000   11.920000
  Q     10.010000   19.910000   11.200000
  Q     18.190000    3.700000   16.550000
  Q     16.870000    3.510000   15.790000
  Q     17.370000    3.850000   16.380000
  Q     13.680000    4.110000   17.420000
  Q     13.280000    4.950000   18.660000
  Q     13.370000    4.770000   17.810000
  Q      6.220000   19.290000    9.850000
  Q      5.520000   20.450000    9.230000
  Q      6.080000   20.090000    9.720000
  Q     10.560000    2.000000    7.750000
  Q     10.720000    1.670000    9.260000
  Q     10.290000    1.840000    8.540000
  Q      2.600000    8.060000    6.150000
  Q      2.770000    9.580000    6.270000
  Q      3.030000    8.800000    6.170000
  Q      1.610000   12.570000   15.740000
  Q      0.490000   13.360000   16.560000
  Q      1.170000   12.830000   16.440000
  Q     19.090000   12.200000    5.470000
  Q     18.720000   13.480000    4.630000
  Q     18.870000   12.660000    4.790000
  Q     12.460000    4.190000    8.030000
  Q     12.360000    5.250000    9.120000
  Q     12.710000    4.590000    8.760000
  Q     15.430000   16.910000    5.370000
  Q     14.540000   17.770000    4.420000
  Q     15.300000   17.410000    4.700000
  Q     14.750000   17.290000   11.310000
  Q     15.220000   18.460000   12.460000
  Q     14.800000   17.750000   12.080000
  Q      8.770000    6.140000   10.490000
  Q      7.420000    6.040000   10.960000
  Q      8.030000    5.820000   10.470000
  Q     12.320000    2.720000    6.260000
  Q     11.580000    4.070000    6.020000
  Q     11.870000    3.400000    6.480000
  Q      4.820000    2.760000   10.970000
  Q      4.670000    4.020000   11.770000
  Q      4.480000    3.240000   11.580000
  Q      9.120000   17.060000    8.180000
  Q      9.270000   18.530000    7.890000
  Q      9.540000   17.740000    7.990000
  Q      7.830000   18.540000    4.700000
  Q      8.750000   19.680000    5.110000
  Q      8.320000   18.950000    5.250000
  Q      6.650000   14.860000   17.160000
  Q      5.140000   15.050000   17.620000
  Q      5.990000   14.850000   17.670000
  Q     13.650000   19.300000    7.320000
  Q     14.930000   18.660000    7.110000
  Q     14.410000   19.270000    7.040000
  Q     18.800000    8.960000    2.040000
  Q     19.100000    8.810000    3.600000
  Q     19.080000    8.580000    2.770000
  Q     13.650000   12.100000   20.430000
  Q     12.350000   11.770000   21.030000
  Q     12.860000   11.860000   20.370000
  Q     11.500000   10.730000    1.100000
  Q     10.270000   11.660000    1.050000
  Q     10.870000   11.160000    0.710000
  Q      1.580000   15.020000   11.490000
  Q      0.290000   15.260000   10.560000
  Q      1.080000   14.970000   10.770000
  Q     16.240000   16.340000    7.350000
  Q     15.310000   16.790000    8.250000
  Q     15.600000   16.800000    7.500000
  Q     14.050000    6.430000   17.140000
  Q     13.660000    7.580000   16.240000
  Q     14.150000    7.180000   16.790000
  Q      8.620000    4.050000   11.440000
  Q     10.110000    3.900000   11.100000
  Q      9.360000    3.660000   11.390000
  Q     20.370000   12.040000   12.030000
  Q     18.910000   11.350000   12.000000
  Q     19.500000   12.010000   11.970000
  Q      8.740000   14.960000   16.560000
  Q      8.010000   15.860000   15.590000
  Q      8.260000   15.140000   15.890000
  Q      7.210000    3.940000    6.530000
  Q      6.950000    3.840000    4.940000
  Q      6.750000    3.920000    5.780000
  Q     14.490000    3.250000   11.410000
  Q     13.930000    4.170000   10.300000
  Q     14.370000    3.990000   11.010000
  Q      1.680000   15.670000   14.020000
  Q      0.270000   15.110000   13.500000
  Q      1.020000   15.530000   13.460000
  Q     20.580000   10.630000    6.010000
  Q     21.660000   11.600000    5.770000
  Q     21.370000   10.840000    5.790000
  Q     17.720000    7.880000    5.680000
  Q     17.010000    8.710000    4.600000
  Q     17.500000    8.580000    5.310000
  Q     16.560000   15.110000   19.070000
  Q     15.210000   15.820000   18.900000
  Q     15.930000   15.460000   18.640000
  Q     14.140000   13.180000    5.880000
  Q     14.950000   14.480000    6.370000
  Q     14.240000   13.960000    6.220000
  Q     19.520000    5.950000   11.910000
  Q     18.430000    6.960000   12.260000
  Q     19.030000    6.630000   11.760000
  Q     10.520000   16.890000   20.180000
  Q      9.910000   16.800000   18.820000
  Q     10.240000   17.200000   19.480000
  Q     15.900000   11.620000    5.720000
  Q     17.030000   11.910000    4.710000
  Q     16.230000   11.920000    5.000000
  Q     16.720000    2.770000   17.700000
  Q     16.180000    2.000000   19.020000
  Q     16.520000    2.080000   18.200000
  Q      5.920000   13.260000    2.070000
  Q      7.410000   13.400000    2.230000
  Q      6.620000   13.540000    2.430000
  Q      9.940000   17.660000    5.410000
  Q     11.040000   16.640000    5.790000
  Q     10.640000   17.160000    5.270000
  Q      8.030000    7.400000   16.010000
  Q      9.120000    8.430000   16.570000
  Q      8.630000    7.720000   16.540000
  Q     14.220000    6.580000    2.830000
  Q     13.680000    5.620000    1.680000
  Q     14.100000    5.860000    2.390000
  Q      7.250000    7.600000    2.720000
  Q      7.090000    7.690000    4.240000
  Q      7.280000    7.300000    3.530000
  Q     21.680000    9.320000    8.200000
  Q     21.960000    7.970000    8.830000
  Q     21.490000    8.610000    8.560000
  Q     20.290000   13.560000   13.830000
  Q     21.600000   13.280000   14.330000
  Q     21.010000   13.760000   14.110000
  Q     19.590000   11.170000   10.100000
  Q     20.240000   12.460000    9.470000
  Q     19.790000   11.720000    9.470000
  Q      3.090000   10.730000   13.440000
  Q      3.780000   10.290000   12.210000
  Q      3.390000   10.130000   12.930000
  Q     13.790000   10.500000    1.970000
  Q     13.330000    9.230000    1.310000
  Q     13.200000    9.940000    1.780000
  Q     13.260000    4.350000   14.230000
  Q     12.960000    2.870000   13.830000
  Q     12.780000    3.640000   14.110000
  Q     11.830000   19.850000   11.690000
  Q     12.940000   18.880000   11.830000
  Q     12.620000   19.630000   11.780000
  Q     20.090000    4.060000   13.310000
  Q     20.380000    5.160000   14.350000
  Q     20.360000    4.820000   13.560000
  Q      3.610000   14.650000   13.240000
  Q      4.190000   14.390000   11.790000
  Q      3.640000   14.300000   12.470000
  Q     15.880000    2.730000   14.240000
  Q     15.880000    4.100000   13.530000
  Q     16.190000    3.340000   13.740000
  Q      1.770000   11.860000    9.030000
  Q      1.600000   13.070000    9.930000
  Q      1.800000   12.270000    9.730000
  Q     12.570000   18.540000    2.960000
  Q     12.140000   17.900000    4.320000
  Q     12.700000   18.190000    3.730000
  Q     10.880000    8.510000    4.030000
  Q     11.930000    9.620000    3.540000
  Q     11.320000    9.250000    4.090000
  Q     13.550000   16.950000   17.930000
  Q     12.950000   17.280000   19.230000
  Q     13.330000   16.750000   18.700000
  Q      0.030000   10.590000   11.810000
  Q      0.800000   11.800000   11.270000
  Q      0.300000   11.390000   11.830000
  Q     16.020000    2.630000    7.090000
  Q     16.760000    1.480000    6.340000
  Q     16.210000    1.840000    6.910000
  Q      5.610000   12.490000    4.160000
  Q      4.770000   11.290000    4.620000
  Q      4.990000   12.100000    4.570000
  Q     12.460000   13.200000   19.030000
  Q     12.670000   14.710000   18.680000
  Q     12.390000   13.900000   18.570000
  Q      8.750000   11.880000    2.950000
  Q      8.290000   11.590000    1.460000
  Q      8.720000   11.970000    2.100000
  Q      5.010000   18.240000   12.100000
  Q      4.800000   17.120000   10.920000
  Q      4.790000   17.890000   11.330000
  Q     14.790000    7.670000   21.690000
  Q     13.360000    8.050000   21.050000
  Q     14.020000    8.110000   21.620000
  Q     10.830000    6.350000   19.580000
  Q      9.540000    5.540000   19.370000
  Q     10.250000    5.730000   19.750000
  Q      8.840000    5.740000   17.190000
  Q      9.530000    4.340000   17.330000
  Q      8.890000    4.930000   17.350000
  Q      7.910000   14.030000    7.130000
  Q      6.430000   13.520000    7.040000
  Q      7.160000   13.930000    6.790000
  Q      5.800000   19.650000    7.130000
  Q      6.860000   18.940000    6.410000
  Q      6.230000   18.970000    6.960000
  Q     15.810000   11.930000    1.660000
  Q     15.300000   11.760000    3.120000
  Q     15.250000   11.690000    2.260000
  Q      6.960000   10.040000    5.010000
  Q      5.660000    9.260000    5.090000
  Q      6.500000    9.350000    5.130000
  Q     17.530000   14.970000    6.080000
  Q     16.830000   13.870000    6.950000
  Q     16.860000   14.590000    6.500000
  Q      8.700000   16.250000    2.880000
  Q     10.060000   16.510000    3.640000
  Q      9.570000   16.240000    3.020000
  Q     17.640000   17.180000   10.590000
  Q     17.180000   15.840000   10.060000
  Q     17.510000   16.600000   10.010000
  Q      5.720000   19.350000   17.760000
  Q      7.010000   20.000000   17.880000
  Q      6.540000   19.350000   17.860000
  Q      7.940000    4.510000   14.160000
  Q      7.470000    5.890000   13.960000
  Q      7.890000    5.220000   13.730000
  Q     13.400000    9.910000   17.520000
  Q     12.690000   10.590000   18.630000
  Q     12.800000    9.960000   18.090000
  Q     13.880000    1.280000   18.230000
  Q     12.660000    1.960000   17.820000
  Q     13.450000    1.880000   17.820000
  Q      1.710000   14.920000    8.860000
  Q      1.760000   14.610000    7.340000
  Q      2.090000   14.770000    8.110000
  Q      3.050000    7.440000   15.080000
  Q      3.540000    8.520000   14.160000
  Q      3.580000    8.020000   14.840000
  Q      9.010000   20.110000   14.270000
  Q      8.110000   20.570000   13.110000
  Q      8.550000   20.020000   13.570000
  Q     17.140000    5.990000    7.120000
  Q     18.290000    6.830000    7.420000
  Q     17.860000    6.310000    6.940000
  Q     14.390000   10.600000    7.380000
  Q     13.280000   11.390000    6.830000
  Q     14.020000   11.290000    7.170000
  Q     13.940000    7.990000    5.380000
  Q     12.580000    7.880000    4.880000
  Q     13.390000    7.710000    4.870000
  Q      4.160000    3.480000    7.730000
  Q      5.240000    4.270000    7.010000
  Q      4.700000    4.120000    7.650000
  Q     17.730000    9.230000   17.940000
  Q     18.320000    8.670000   16.690000
  Q     18.340000    9.100000   17.410000
  Q     20.690000    9.330000   10.230000
  Q     20.380000    8.640000   11.550000
  Q     20.510000    9.300000   11.040000
  Q     19.480000   18.100000   12.390000
  Q     17.920000   18.120000   12.450000
  Q     18.670000   17.800000   12.260000
  Q     17.520000   11.760000    8.080000
  Q     16.950000   12.760000    9.090000
  Q     17.090000   12.440000    8.330000
  Q      7.080000   22.220000   12.100000
  Q      6.350000   20.960000   11.590000
  Q      6.580000   21.540000   12.160000
  Q      9.150000    8.710000   20.560000
  Q     10.040000    9.730000   21.450000
  Q      9.720000    8.940000   21.180000
  Q      6.350000    2.760000    8.880000
  Q      6.740000    1.690000   10.070000
  Q      6.240000    2.180000    9.540000
  Q      8.730000   21.110000   16.260000
  Q     10.380000   20.990000   15.760000
  Q      9.530000   20.710000   16.000000
  Q      1.380000   11.920000   13.540000
  Q      2.430000   12.890000   13.620000
  Q      2.020000   12.280000   13.920000
  Q      3.230000   18.700000   10.260000
  Q      1.890000   19.100000    9.590000
  Q      2.670000   19.260000    9.890000
  Q      6.260000   14.560000   19.610000
  Q      5.690000   13.780000   20.680000
  Q      6.120000   14.430000   20.420000

----------------------------
CARTESIAN COORDINATES (A.U.)
----------------------------
  NO LB      ZA    FRAG     MASS         X           Y           Z
   0 C     6.0000    0    12.011   23.678268   18.046885   20.598015
   1 H     1.0000    0     1.008   24.812104   19.350796   21.694056
   2 H     1.0000    0     1.008   24.301878   17.876809   18.670494
   3 C     6.0000    0    12.011   21.051549   18.840570   20.862577
   4 H     1.0000    0     1.008   19.804330   17.479967   19.898816
   5 H     1.0000    0     1.008   20.579118   18.746083   22.922378
   6 C     6.0000    0    12.011   20.579118   21.599570   19.974405
   7 H     1.0000    0     1.008   20.106686   21.750748   17.971296
   8 H     1.0000    0     1.008   22.393255   22.487741   20.163378
   9 C     6.0000    0    12.011   18.576008   23.016864   21.316111
  10 H     1.0000    0     1.008   19.161823   23.357015   23.357015
  11 H     1.0000    0     1.008   16.780768   22.072001   21.391700
  12 O     8.0000    0    15.999   17.952398   25.360125   20.125583
  13 H     1.0000    0     1.008   16.516206   26.078221   21.108241
  14 O     8.0000    0    15.999   24.207392   15.533549   21.448392
  15 H     1.0000    0     1.008   23.678268   15.268987   23.092453
  16 O     8.0000    0    15.999   13.114699   17.687837   22.657816
  17 H     1.0000    0     1.008   11.943069   16.327234   22.808994
  18 H     1.0000    0     1.008   13.795001   17.990193   20.957063
  19 O     8.0000    0    15.999   28.308097   15.136706   17.990193
  20 H     1.0000    0     1.008   29.668700   14.002871   18.689391
  21 H     1.0000    0     1.008   26.890803   14.777658   19.086234
  22 O     8.0000    0    15.999   21.316111   28.629351   23.319220
  23 H     1.0000    0     1.008   20.673604   27.741180   21.883029
  24 H     1.0000    0     1.008   19.898816   29.366344   24.226289
  25 O     8.0000    0    15.999   28.629351   24.282981   22.771200
  26 H     1.0000    0     1.008   28.610454   22.638919   23.545988
  27 H     1.0000    0     1.008   27.457721   25.322330   23.867241
  28 O     8.0000    0    15.999   14.324124   18.349241   17.083124
  29 H     1.0000    0     1.008   12.982419   17.744528   16.005980
  30 H     1.0000    0     1.008   15.779213   19.010645   16.024878
  31 O     8.0000    0    15.999   23.810549   14.040665   26.758522
  32 H     1.0000    0     1.008   22.676714   12.623371   26.456166
  33 H     1.0000    0     1.008   22.922378   15.609138   27.041981
  34 O     8.0000    0    15.999   10.412391   12.377706   22.808994
  35 H     1.0000    0     1.008    9.354144   11.829686   21.391700
  36 H     1.0000    0     1.008    9.580911   12.226528   24.320775
  37 O     8.0000    0    15.999    9.713192   16.270542   15.779213
  38 H     1.0000    0     1.008    9.656501   14.550891   16.535104
  39 H     1.0000    0     1.008    8.654946   16.440617   14.286330
  40 O     8.0000    0    15.999   22.053104   32.371009   19.105131
  41 H     1.0000    0     1.008   20.446837   33.240283   18.878364
  42 H     1.0000    0     1.008   21.883029   31.652913   20.749193
  43 O     8.0000    0    15.999   23.281426   19.445282   27.325440
  44 H     1.0000    0     1.008   23.564885   20.730296   28.553762
  45 H     1.0000    0     1.008   24.812104   19.142926   26.399474
  46 O     8.0000    0    15.999   27.778974   10.828131   25.813659
  47 H     1.0000    0     1.008   27.174262   10.072240   24.245186
  48 H     1.0000    0     1.008   26.815214   12.283220   26.116015
  49 O     8.0000    0    15.999   18.179165   14.021768   14.683172
  50 H     1.0000    0     1.008   16.554001   14.513097   15.401268
  51 H     1.0000    0     1.008   17.990193   13.492645   12.982419
  52 O     8.0000    0    15.999   12.698960   14.664275   27.608899
  53 H     1.0000    0     1.008   10.998206   14.777658   28.100228
  54 H     1.0000    0     1.008   12.944624   16.270542   26.947495
  55 O     8.0000    0    15.999   20.768090   11.754097   18.897261
  56 H     1.0000    0     1.008   21.599570   12.925727   19.955508
  57 H     1.0000    0     1.008   20.503529   12.528884   17.272097
  58 O     8.0000    0    15.999   17.612248   22.960173   29.120680
  59 H     1.0000    0     1.008   16.950843   24.698721   29.423036
  60 H     1.0000    0     1.008   19.388590   23.016864   28.686043
  61 O     8.0000    0    15.999   10.147829   28.818324   20.276761
  62 H     1.0000    0     1.008   10.582466   28.780529   18.462624
  63 H     1.0000    0     1.008   11.716302   28.572659   21.108241
  64 O     8.0000    0    15.999   13.209186   21.070446   27.136467
  65 H     1.0000    0     1.008   13.511542   20.446837   25.511303
  66 H     1.0000    0     1.008   14.550891   22.053104   27.949050
  67 O     8.0000    0    15.999   17.971296   20.560220   14.513097
  68 H     1.0000    0     1.008   19.558665   19.993302   13.700514
  69 H     1.0000    0     1.008   18.235857   22.412152   14.418610
  70 O     8.0000    0    15.999   11.659610   23.281426   18.916159
  71 H     1.0000    0     1.008   10.544672   22.355460   19.936611
  72 H     1.0000    0     1.008   12.887932   22.034207   18.254754
  73 O     8.0000    0    15.999   17.442172   32.049755   25.397919
  74 H     1.0000    0     1.008   16.705179   33.504844   24.547542
  75 H     1.0000    0     1.008   18.802775   32.824543   26.323885
  76 O     8.0000    0    15.999   26.550652   25.813659   17.536659
  77 H     1.0000    0     1.008   26.815214   24.415262   16.365028
  78 H     1.0000    0     1.008   27.344337   25.379022   19.067337
  79 O     8.0000    0    15.999   25.038871   26.286091   26.021529
  80 H     1.0000    0     1.008   26.267193   27.495515   26.758522
  81 H     1.0000    0     1.008   23.753858   27.363234   25.208947
  82 O     8.0000    0    15.999   28.326995   16.270542   12.906829
  83 H     1.0000    0     1.008   30.046646   16.157158   12.339912
  84 H     1.0000    0     1.008   28.005741   15.722521   14.645378
  85 O     8.0000    0    15.999   28.308097   19.634255   25.662481
  86 H     1.0000    0     1.008   29.933262   18.953953   24.982179
  87 H     1.0000    0     1.008   28.704940   19.861022   27.533310
  88 O     8.0000    0    15.999   18.141371   25.983734   15.098912
  89 H     1.0000    0     1.008   18.122474   26.304988   16.894152
  90 H     1.0000    0     1.008   19.501974   27.004186   14.324124
  91 O     8.0000    0    15.999   32.730057   25.945940   20.031097
  92 H     1.0000    0     1.008   34.147351   24.868796   20.673604
  93 H     1.0000    0     1.008   31.312762   25.397919   21.089344
  94 O     8.0000    0    15.999   14.418610   27.778974   23.734960
  95 H     1.0000    0     1.008   13.492645   26.834111   25.001077
  96 H     1.0000    0     1.008   15.306782   29.026193   24.679823
  97 O     8.0000    0    15.999   31.445043   10.809233   19.369693
  98 H     1.0000    0     1.008   29.989954    9.921062   20.087789
  99 H     1.0000    0     1.008   32.446598   11.413946   20.730296
 100 O     8.0000    0    15.999   32.314317   18.349241   16.648487
 101 H     1.0000    0     1.008   33.240283   16.799665   16.648487
 102 H     1.0000    0     1.008   30.613563   17.612248   16.705179
 103 Q     0.6645    0     0.000   21.542878   23.319220   10.544672
 104 Q     0.6645    0     0.000   21.448392   20.598015    9.599809
 105 Q    -1.3290    0     0.000   21.656261   21.750748   10.733644
 106 Q     0.6645    0     0.000   12.755651   32.068652   14.739864
 107 Q     0.6645    0     0.000   12.963521   29.196269   14.664275
 108 Q    -1.3290    0     0.000   13.303672   30.670255   15.212295
 109 Q     0.6645    0     0.000   38.304749    8.900610   30.953714
 110 Q     0.6645    0     0.000   39.457482   11.508432   31.426146
 111 Q    -1.3290    0     0.000   38.493721   10.450186   30.708050
 112 Q     0.6645    0     0.000   21.278316    8.862816   25.095563
 113 Q     0.6645    0     0.000   18.708289   10.582466   25.001077
 114 Q    -1.3290    0     0.000   20.352350   10.261213   24.868796
 115 Q     0.6645    0     0.000    4.818802   28.591556   30.500180
 116 Q     0.6645    0     0.000    5.140055   31.180481   28.950604
 117 Q    -1.3290    0     0.000    5.234541   29.574214   29.271858
 118 Q     0.6645    0     0.000   19.955508    2.381055   27.854563
 119 Q     0.6645    0     0.000   21.448392    1.984212   30.178926
 120 Q    -1.3290    0     0.000   20.881474    1.511781   28.780529
 121 Q     0.6645    0     0.000    4.157397   23.130248   12.528884
 122 Q     0.6645    0     0.000    6.311685   22.279871   14.059562
 123 Q    -1.3290    0     0.000    4.951082   22.109796   13.341467
 124 Q     0.6645    0     0.000   40.251167   14.966631   26.493960
 125 Q     0.6645    0     0.000   40.099989   17.555556   27.363234
 126 Q    -1.3290    0     0.000   39.495276   16.308337   26.720728
 127 Q     0.6645    0     0.000   26.815214   29.063988   18.160268
 128 Q     0.6645    0     0.000   25.341227   31.426146   18.481522
 129 Q    -1.3290    0     0.000   26.664036   30.613563   18.424830
 130 Q     0.6645    0     0.000   24.736515    2.494438   21.750748
 131 Q     0.6645    0     0.000   26.361680    1.833034   24.226289
 132 Q    -1.3290    0     0.000   25.889248    2.721206   22.903481
 133 Q     0.6645    0     0.000   11.508432   22.620022   31.407248
 134 Q     0.6645    0     0.000   12.642268   23.716063   34.052865
 135 Q    -1.3290    0     0.000   12.623371   22.846789   32.635570
 136 Q     0.6645    0     0.000   32.333214   14.928836   26.210501
 137 Q     0.6645    0     0.000   30.330104   13.265877   24.868796
 138 Q    -1.3290    0     0.000   31.407248   14.399713   24.944385
 139 Q     0.6645    0     0.000   29.366344   19.690946   32.219831
 140 Q     0.6645    0     0.000   28.553762   22.053104   31.388351
 141 Q    -1.3290    0     0.000   28.818324   20.579118   31.123789
 142 Q     0.6645    0     0.000    6.198302   20.862577   19.426385
 143 Q     0.6645    0     0.000    7.974644   18.613802   18.462624
 144 Q    -1.3290    0     0.000    7.426624   19.785433   19.445282
 145 Q     0.6645    0     0.000   32.635570   19.596460   19.955508
 146 Q     0.6645    0     0.000   32.635570   17.782323   22.336563
 147 Q    -1.3290    0     0.000   32.673365   19.180720   21.580672
 148 Q     0.6645    0     0.000   38.002393   28.421481   16.383926
 149 Q     0.6645    0     0.000   36.169358   26.437269   15.609138
 150 Q    -1.3290    0     0.000   37.397680   27.325440   15.401268
 151 Q     0.6645    0     0.000   28.100228   32.673365   29.838776
 152 Q     0.6645    0     0.000   26.928597   35.356776   30.745844
 153 Q    -1.3290    0     0.000   27.098673   33.712714   30.613563
 154 Q     0.6645    0     0.000   24.755412   38.928358   25.341227
 155 Q     0.6645    0     0.000   23.583782   41.025954   26.985289
 156 Q    -1.3290    0     0.000   24.793207   40.137783   26.380577
 157 Q     0.6645    0     0.000   34.733166   18.594905   12.245425
 158 Q     0.6645    0     0.000   36.301639   20.012200   14.418610
 159 Q    -1.3290    0     0.000   35.867002   19.634255   12.925727
 160 Q     0.6645    0     0.000   18.198063   20.031097   31.558426
 161 Q     0.6645    0     0.000   20.484631   18.953953   32.919029
 162 Q    -1.3290    0     0.000   18.916159   19.086234   32.597776
 163 Q     0.6645    0     0.000   27.023084    2.551130   11.489535
 164 Q     0.6645    0     0.000   25.303433    1.473986    9.448631
 165 Q    -1.3290    0     0.000   25.775864    2.551130   10.506877
 166 Q     0.6645    0     0.000    7.880158   34.733166   11.886377
 167 Q     0.6645    0     0.000    6.708528   36.433920    9.996651
 168 Q    -1.3290    0     0.000    6.651836   35.224495   11.054898
 169 Q     0.6645    0     0.000   36.150461   15.136706   27.930152
 170 Q     0.6645    0     0.000   35.167803   12.698960   28.761632
 171 Q    -1.3290    0     0.000   35.016625   14.191843   28.440378
 172 Q     0.6645    0     0.000   26.248296   24.717618    4.573137
 173 Q     0.6645    0     0.000   24.150700   26.456166    5.990432
 174 Q    -1.3290    0     0.000   25.360125   26.059323    4.875493
 175 Q     0.6645    0     0.000   12.869035    8.711637   32.200933
 176 Q     0.6645    0     0.000   10.658055    7.124268   32.616673
 177 Q    -1.3290    0     0.000   11.584021    7.974644   31.728502
 178 Q     0.6645    0     0.000   21.183830   35.526851   29.139577
 179 Q     0.6645    0     0.000   22.903481   33.296974   29.082885
 180 Q    -1.3290    0     0.000   21.694056   34.128454   28.629351
 181 Q     0.6645    0     0.000   34.260735    9.845473   36.509509
 182 Q     0.6645    0     0.000   32.635570   10.280110   34.298529
 183 Q    -1.3290    0     0.000   32.994618   10.412391   35.810310
 184 Q     0.6645    0     0.000   29.120680   15.835905   33.826098
 185 Q     0.6645    0     0.000   29.782084   17.328789   36.358331
 186 Q    -1.3290    0     0.000   29.989954   16.818563   34.808755
 187 Q     0.6645    0     0.000   29.895467   18.405933    4.856596
 188 Q     0.6645    0     0.000   31.690707   15.968186    4.743213
 189 Q    -1.3290    0     0.000   30.802536   17.215405    5.461309
 190 Q     0.6645    0     0.000    4.025117   14.758761   20.427940
 191 Q     0.6645    0     0.000    4.138500   16.251645   22.941275
 192 Q    -1.3290    0     0.000    3.684966   15.136706   21.920823
 193 Q     0.6645    0     0.000   22.979070   15.930391   36.433920
 194 Q     0.6645    0     0.000   21.580672   15.174501   38.928358
 195 Q    -1.3290    0     0.000   22.582227   14.966631   37.700036
 196 Q     0.6645    0     0.000   27.401029    1.417295   28.062433
 197 Q     0.6645    0     0.000   27.816769    3.061356   30.500180
 198 Q    -1.3290    0     0.000   28.005741    2.626719   28.931707
 199 Q     0.6645    0     0.000   11.319460   37.208708   26.304988
 200 Q     0.6645    0     0.000   11.413946   34.714269   27.117570
 201 Q    -1.3290    0     0.000   10.752542   35.848105   26.248296
 202 Q     0.6645    0     0.000   22.242077   30.160029   14.456405
 203 Q     0.6645    0     0.000   23.980625   28.421481   12.736754
 204 Q    -1.3290    0     0.000   22.582227   29.177372   13.265877
 205 Q     0.6645    0     0.000   14.343021   13.322569   36.906351
 206 Q     0.6645    0     0.000   15.854802   14.853247   34.978831
 207 Q    -1.3290    0     0.000   15.231193   14.531994   36.377228
 208 Q     0.6645    0     0.000   30.537974    8.636048   16.251645
 209 Q     0.6645    0     0.000   27.911255    8.295898   15.117809
 210 Q    -1.3290    0     0.000   29.498625    8.352590   15.080015
 211 Q     0.6645    0     0.000    9.335247   24.453056   16.742974
 212 Q     0.6645    0     0.000    7.464418   26.304988   15.212295
 213 Q    -1.3290    0     0.000    8.673843   25.208947   15.420165
 214 Q     0.6645    0     0.000   19.785433   12.472192    8.938405
 215 Q     0.6645    0     0.000   17.045330   13.322569    8.069131
 216 Q    -1.3290    0     0.000   18.405933   13.398158    8.938405
 217 Q     0.6645    0     0.000    5.971535   11.432843   18.009090
 218 Q     0.6645    0     0.000    8.541562   10.091138   17.328789
 219 Q    -1.3290    0     0.000    7.558905   11.224973   17.952398
 220 Q     0.6645    0     0.000    4.856596   26.796317    7.521110
 221 Q     0.6645    0     0.000    6.368377   24.566440    8.768329
 222 Q    -1.3290    0     0.000    4.969980   25.379022    8.239206
 223 Q     0.6645    0     0.000   15.306782   26.966392   39.892119
 224 Q     0.6645    0     0.000   17.139816   24.849899   38.871667
 225 Q    -1.3290    0     0.000   16.742974   26.361680   39.362995
 226 Q     0.6645    0     0.000   28.478173   31.558426   25.719173
 227 Q     0.6645    0     0.000   30.670255   29.895467   26.701830
 228 Q    -1.3290    0     0.000   29.177372   30.613563   26.777419
 229 Q     0.6645    0     0.000   19.823227   27.401029   34.033968
 230 Q     0.6645    0     0.000   17.687837   27.911255   35.659132
 231 Q    -1.3290    0     0.000   18.462624   28.005741   34.355221
 232 Q     0.6645    0     0.000   11.262768   18.557111   34.770961
 233 Q     0.6645    0     0.000   12.321014   16.988638   36.887454
 234 Q    -1.3290    0     0.000   11.187179   17.952398   36.244947
 235 Q     0.6645    0     0.000   33.334769   33.920584   13.435953
 236 Q     0.6645    0     0.000   34.846550   32.106447   15.080015
 237 Q    -1.3290    0     0.000   34.430810   32.786748   13.681617
 238 Q     0.6645    0     0.000   35.507954   21.542878   37.662242
 239 Q     0.6645    0     0.000   35.054420   21.013755   34.770961
 240 Q    -1.3290    0     0.000   34.941036   21.807440   36.188255
 241 Q     0.6645    0     0.000    7.823466   18.727186   29.290755
 242 Q     0.6645    0     0.000   10.355699   20.068892   28.629351
 243 Q    -1.3290    0     0.000    8.862816   19.917713   29.328550
 244 Q     0.6645    0     0.000   17.215405   21.051549   10.091138
 245 Q     0.6645    0     0.000   15.193398   23.281426    9.807679
 246 Q    -1.3290    0     0.000   16.100467   21.958618    9.391939
 247 Q     0.6645    0     0.000   29.215166   28.572659    6.500658
 248 Q     0.6645    0     0.000   30.821433   26.909700    7.974644
 249 Q    -1.3290    0     0.000   30.556872   27.911255    6.840809
 250 Q     0.6645    0     0.000   14.928836   38.550413   16.780768
 251 Q     0.6645    0     0.000   17.007535   39.986605   15.476857
 252 Q    -1.3290    0     0.000   16.402823   38.909461   16.497309
 253 Q     0.6645    0     0.000   14.739864    7.804569    4.138500
 254 Q     0.6645    0     0.000   14.456405    9.845473    6.103815
 255 Q    -1.3290    0     0.000   14.777658    8.352590    5.612487
 256 Q     0.6645    0     0.000   21.731851    8.806124    7.502213
 257 Q     0.6645    0     0.000   23.791652   10.790336    8.428179
 258 Q    -1.3290    0     0.000   22.393255    9.996651    8.428179
 259 Q     0.6645    0     0.000   18.330343   21.202727   37.000838
 260 Q     0.6645    0     0.000   16.232747   21.637364   35.507954
 261 Q    -1.3290    0     0.000   16.931946   21.807440   36.868557
 262 Q     0.6645    0     0.000   32.238728    0.132281   19.464179
 263 Q     0.6645    0     0.000   30.708050    1.492884   21.202727
 264 Q    -1.3290    0     0.000   31.785194    0.510226   20.938166
 265 Q     0.6645    0     0.000   22.620022   24.925488   31.766296
 266 Q     0.6645    0     0.000   23.640474   24.585337   28.856118
 267 Q    -1.3290    0     0.000   23.016864   24.131803   30.330104
 268 Q     0.6645    0     0.000   12.831240    5.404617   29.460830
 269 Q     0.6645    0     0.000   11.602918    4.195192   27.268748
 270 Q    -1.3290    0     0.000   12.736754    4.365267   28.289200
 271 Q     0.6645    0     0.000   11.943069   28.138022    7.256548
 272 Q     0.6645    0     0.000   12.698960   29.101782    9.788781
 273 Q    -1.3290    0     0.000   11.961966   29.234063    8.428179
 274 Q     0.6645    0     0.000   11.281665    9.637603   25.624686
 275 Q     0.6645    0     0.000   10.620261    8.900610   28.156919
 276 Q    -1.3290    0     0.000   10.355699    9.013994   26.645138
 277 Q     0.6645    0     0.000   13.398158   33.958379   30.859228
 278 Q     0.6645    0     0.000   15.212295   34.185146   28.629351
 279 Q    -1.3290    0     0.000   13.965076   33.599331   29.385241
 280 Q     0.6645    0     0.000   37.340988   10.506877    8.617151
 281 Q     0.6645    0     0.000   35.413468    9.373042   10.847028
 282 Q    -1.3290    0     0.000   36.490612    9.391939    9.505322
 283 Q     0.6645    0     0.000    6.557350   34.600886   27.079775
 284 Q     0.6645    0     0.000    4.081808   35.848105   27.949050
 285 Q    -1.3290    0     0.000    5.347925   34.846550   28.043536
 286 Q     0.6645    0     0.000   27.514413   38.758283   16.629590
 287 Q     0.6645    0     0.000   26.134912   38.588208   18.935056
 288 Q    -1.3290    0     0.000   26.437269   39.249612   17.612248
 289 Q     0.6645    0     0.000   26.720728   25.416817   31.993063
 290 Q     0.6645    0     0.000   29.252961   26.607344   32.748954
 291 Q    -1.3290    0     0.000   28.308097   25.511303   32.049755
 292 Q     0.6645    0     0.000   21.051549    6.103815   29.423036
 293 Q     0.6645    0     0.000   22.374357    7.332137   31.615118
 294 Q    -1.3290    0     0.000   21.335008    6.330583   30.972611
 295 Q     0.6645    0     0.000   27.778974    7.294343    5.858151
 296 Q     0.6645    0     0.000   27.230954    4.875493    7.256548
 297 Q    -1.3290    0     0.000   28.138022    5.858151    6.443966
 298 Q     0.6645    0     0.000   12.453295   34.317427    4.573137
 299 Q     0.6645    0     0.000   12.358809   32.408803    6.784117
 300 Q    -1.3290    0     0.000   13.020213   33.523742    5.820356
 301 Q     0.6645    0     0.000   36.396125   20.314556   30.745844
 302 Q     0.6645    0     0.000   36.849660   22.941275   29.649803
 303 Q    -1.3290    0     0.000   37.284297   21.429494   30.065543
 304 Q     0.6645    0     0.000   16.554001    5.688076   15.420165
 305 Q     0.6645    0     0.000   15.325679    8.258103   15.968186
 306 Q    -1.3290    0     0.000   15.439063    6.803014   15.268987
 307 Q     0.6645    0     0.000   34.279632   26.361680   28.194714
 308 Q     0.6645    0     0.000   32.578879   24.812104   29.782084
 309 Q    -1.3290    0     0.000   33.958379   25.492406   29.441933
 310 Q     0.6645    0     0.000   23.168042   -0.264562   18.727186
 311 Q     0.6645    0     0.000   20.541323   -0.264562   20.182275
 312 Q    -1.3290    0     0.000   21.883029    0.396842   19.483076
 313 Q     0.6645    0     0.000   34.071762    5.820356   26.116015
 314 Q     0.6645    0     0.000   35.715824    3.552685   25.624686
 315 Q    -1.3290    0     0.000   35.281187    4.818802   26.399474
 316 Q     0.6645    0     0.000   20.786987   27.193159    6.198302
 317 Q     0.6645    0     0.000   21.618467   27.930152    8.768329
 318 Q    -1.3290    0     0.000   21.467289   26.947495    7.596699
 319 Q     0.6645    0     0.000   17.763426    5.366822   24.585337
 320 Q     0.6645    0     0.000   16.289439    3.987322   26.871906
 321 Q    -1.3290    0     0.000   17.517761    4.686521   26.040426
 322 Q     0.6645    0     0.000   34.959933   30.254515   25.246741
 323 Q     0.6645    0     0.000   34.808755   30.537974   28.175817
 324 Q    -1.3290    0     0.000   34.411913   29.914365   26.739625
 325 Q     0.6645    0     0.000   16.176056    1.757445   18.859467
 326 Q     0.6645    0     0.000   16.383926    3.552685   20.843679
 327 Q    -1.3290    0     0.000   15.779213    2.305466   20.182275
 328 Q     0.6645    0     0.000   37.095324   14.947734   16.213850
 329 Q     0.6645    0     0.000   35.262290   13.568234   18.273652
 330 Q    -1.3290    0     0.000   35.696927   14.380816   16.875254
 331 Q     0.6645    0     0.000   18.443727   37.359886   19.690946
 332 Q     0.6645    0     0.000   18.122474   37.492166   22.525536
 333 Q    -1.3290    0     0.000   18.916159   37.624447   21.164933
 334 Q     0.6645    0     0.000   34.374118    6.991987   31.274968
 335 Q     0.6645    0     0.000   31.879680    6.632939   29.838776
 336 Q    -1.3290    0     0.000   32.824543    7.275446   30.953714
 337 Q     0.6645    0     0.000   25.851454    7.766774   32.919029
 338 Q     0.6645    0     0.000   25.095563    9.354144   35.262290
 339 Q    -1.3290    0     0.000   25.265638    9.013994   33.656022
 340 Q     0.6645    0     0.000   11.754097   36.452817   18.613802
 341 Q     0.6645    0     0.000   10.431288   38.644899   17.442172
 342 Q    -1.3290    0     0.000   11.489535   37.964598   18.368138
 343 Q     0.6645    0     0.000   19.955508    3.779452   14.645378
 344 Q     0.6645    0     0.000   20.257864    3.155843   17.498864
 345 Q    -1.3290    0     0.000   19.445282    3.477096   16.138261
 346 Q     0.6645    0     0.000    4.913288   15.231193   11.621816
 347 Q     0.6645    0     0.000    5.234541   18.103576   11.848583
 348 Q    -1.3290    0     0.000    5.725870   16.629590   11.659610
 349 Q     0.6645    0     0.000    3.042459   23.753858   29.744289
 350 Q     0.6645    0     0.000    0.925966   25.246741   31.293865
 351 Q    -1.3290    0     0.000    2.210980   24.245186   31.067098
 352 Q     0.6645    0     0.000   36.074872   23.054659   10.336802
 353 Q     0.6645    0     0.000   35.375673   25.473508    8.749432
 354 Q    -1.3290    0     0.000   35.659132   23.923933    9.051788
 355 Q     0.6645    0     0.000   23.545988    7.917953   15.174501
 356 Q     0.6645    0     0.000   23.357015    9.921062   17.234302
 357 Q    -1.3290    0     0.000   24.018419    8.673843   16.554001
 358 Q     0.6645    0     0.000   29.158474   31.955269   10.147829
 359 Q     0.6645    0     0.000   27.476618   33.580433    8.352590
 360 Q    -1.3290    0     0.000   28.912810   32.900132    8.881713
 361 Q     0.6645    0     0.000   27.873460   32.673365   21.372803
 362 Q     0.6645    0     0.000   28.761632   34.884344   23.545988
 363 Q    -1.3290    0     0.000   27.967947   33.542639   22.827892
 364 Q     0.6645    0     0.000   16.572898   11.602918   19.823227
 365 Q     0.6645    0     0.000   14.021768   11.413946   20.711398
 366 Q    -1.3290    0     0.000   15.174501   10.998206   19.785433
 367 Q     0.6645    0     0.000   23.281426    5.140055   11.829686
 368 Q     0.6645    0     0.000   21.883029    7.691185   11.376151
 369 Q    -1.3290    0     0.000   22.431049    6.425069   12.245425
 370 Q     0.6645    0     0.000    9.108480    5.215644   20.730296
 371 Q     0.6645    0     0.000    8.825021    7.596699   22.242077
 372 Q    -1.3290    0     0.000    8.465973    6.122713   21.883029
 373 Q     0.6645    0     0.000   17.234302   32.238728   15.457960
 374 Q     0.6645    0     0.000   17.517761   35.016625   14.909939
 375 Q    -1.3290    0     0.000   18.027987   33.523742   15.098912
 376 Q     0.6645    0     0.000   14.796556   35.035523    8.881713
 377 Q     0.6645    0     0.000   16.535104   37.189810    9.656501
 378 Q    -1.3290    0     0.000   15.722521   35.810310    9.921062
 379 Q     0.6645    0     0.000   12.566679   28.081330   32.427700
 380 Q     0.6645    0     0.000    9.713192   28.440378   33.296974
 381 Q    -1.3290    0     0.000   11.319460   28.062433   33.391461
 382 Q     0.6645    0     0.000   25.794762   36.471714   13.832795
 383 Q     0.6645    0     0.000   28.213611   35.262290   13.435953
 384 Q    -1.3290    0     0.000   27.230954   36.415023   13.303672
 385 Q     0.6645    0     0.000   35.526851   16.931946    3.855041
 386 Q     0.6645    0     0.000   36.093769   16.648487    6.803014
 387 Q    -1.3290    0     0.000   36.055975   16.213850    5.234541
 388 Q     0.6645    0     0.000   25.794762   22.865686   38.607105
 389 Q     0.6645    0     0.000   23.338118   22.242077   39.740941
 390 Q    -1.3290    0     0.000   24.301878   22.412152   38.493721
 391 Q     0.6645    0     0.000   21.731851   20.276761    2.078699
 392 Q     0.6645    0     0.000   19.407487   22.034207    1.984212
 393 Q    -1.3290    0     0.000   20.541323   21.089344    1.341706
 394 Q     0.6645    0     0.000    2.985767   28.383687   21.712953
 395 Q     0.6645    0     0.000    0.548021   28.837221   19.955508
 396 Q    -1.3290    0     0.000    2.040904   28.289200   20.352350
 397 Q     0.6645    0     0.000   30.689152   30.878125   13.889487
 398 Q     0.6645    0     0.000   28.931707   31.728502   15.590241
 399 Q    -1.3290    0     0.000   29.479728   31.747399   14.172946
 400 Q     0.6645    0     0.000   26.550652   12.150939   32.389906
 401 Q     0.6645    0     0.000   25.813659   14.324124   30.689152
 402 Q    -1.3290    0     0.000   26.739625   13.568234   31.728502
 403 Q     0.6645    0     0.000   16.289439    7.653391   21.618467
 404 Q     0.6645    0     0.000   19.105131    7.369932   20.975960
 405 Q    -1.3290    0     0.000   17.687837    6.916398   21.523981
 406 Q     0.6645    0     0.000   38.493721   22.752303   22.733405
 407 Q     0.6645    0     0.000   35.734721   21.448392   22.676714
 408 Q    -1.3290    0     0.000   36.849660   22.695611   22.620022
 409 Q     0.6645    0     0.000   16.516206   28.270303   31.293865
 410 Q     0.6645    0     0.000   15.136706   29.971056   29.460830
 411 Q    -1.3290    0     0.000   15.609138   28.610454   30.027748
 412 Q     0.6645    0     0.000   13.624925    7.445521   12.339912
 413 Q     0.6645    0     0.000   13.133597    7.256548    9.335247
 414 Q    -1.3290    0     0.000   12.755651    7.407726   10.922617
 415 Q     0.6645    0     0.000   27.382132    6.141610   21.561775
 416 Q     0.6645    0     0.000   26.323885    7.880158   19.464179
 417 Q    -1.3290    0     0.000   27.155365    7.540007   20.805885
 418 Q     0.6645    0     0.000    3.174740   29.612009   26.493960
 419 Q     0.6645    0     0.000    0.510226   28.553762   25.511303
 420 Q    -1.3290    0     0.000    1.927521   29.347447   25.435714
 421 Q     0.6645    0     0.000   38.890564   20.087789   11.357254
 422 Q     0.6645    0     0.000   40.931468   21.920823   10.903720
 423 Q    -1.3290    0     0.000   40.383447   20.484631   10.941514
 424 Q     0.6645    0     0.000   33.485947   14.891042   10.733644
 425 Q     0.6645    0     0.000   32.144242   16.459515    8.692740
 426 Q    -1.3290    0     0.000   33.070207   16.213850   10.034446
 427 Q     0.6645    0     0.000   31.293865   28.553762   36.037077
 428 Q     0.6645    0     0.000   28.742734   29.895467   35.715824
 429 Q    -1.3290    0     0.000   30.103337   29.215166   35.224495
 430 Q     0.6645    0     0.000   26.720728   24.906590   11.111590
 431 Q     0.6645    0     0.000   28.251406   27.363234   12.037555
 432 Q    -1.3290    0     0.000   26.909700   26.380577   11.754097
 433 Q     0.6645    0     0.000   36.887454   11.243870   22.506638
 434 Q     0.6645    0     0.000   34.827653   13.152494   23.168042
 435 Q    -1.3290    0     0.000   35.961488   12.528884   22.223179
 436 Q     0.6645    0     0.000   19.879919   31.917474   38.134673
 437 Q     0.6645    0     0.000   18.727186   31.747399   35.564646
 438 Q    -1.3290    0     0.000   19.350796   32.503290   36.811865
 439 Q     0.6645    0     0.000   30.046646   21.958618   10.809233
 440 Q     0.6645    0     0.000   32.182036   22.506638    8.900610
 441 Q    -1.3290    0     0.000   30.670255   22.525536    9.448631
 442 Q     0.6645    0     0.000   31.596221    5.234541   33.448153
 443 Q     0.6645    0     0.000   30.575769    3.779452   35.942591
 444 Q    -1.3290    0     0.000   31.218276    3.930630   34.393016
 445 Q     0.6645    0     0.000   11.187179   25.057769    3.911733
 446 Q     0.6645    0     0.000   14.002871   25.322330    4.214089
 447 Q    -1.3290    0     0.000   12.509987   25.586892    4.592035
 448 Q     0.6645    0     0.000   18.783878   33.372564   10.223418
 449 Q     0.6645    0     0.000   20.862577   31.445043   10.941514
 450 Q    -1.3290    0     0.000   20.106686   32.427700    9.958857
 451 Q     0.6645    0     0.000   15.174501   13.983973   30.254515
 452 Q     0.6645    0     0.000   17.234302   15.930391   31.312762
 453 Q    -1.3290    0     0.000   16.308337   14.588686   31.256070
 454 Q     0.6645    0     0.000   26.871906   12.434398    5.347925
 455 Q     0.6645    0     0.000   25.851454   10.620261    3.174740
 456 Q    -1.3290    0     0.000   26.645138   11.073795    4.516445
 457 Q     0.6645    0     0.000   13.700514   14.361919    5.140055
 458 Q     0.6645    0     0.000   13.398158   14.531994    8.012439
 459 Q    -1.3290    0     0.000   13.757206   13.795001    6.670733
 460 Q     0.6645    0     0.000   40.969263   17.612248   15.495754
 461 Q     0.6645    0     0.000   41.498386   15.061117   16.686282
 462 Q    -1.3290    0     0.000   40.610215   16.270542   16.176056
 463 Q     0.6645    0     0.000   38.342543   25.624686   26.134912
 464 Q     0.6645    0     0.000   40.818084   25.095563   27.079775
 465 Q    -1.3290    0     0.000   39.703146   26.002632   26.664036
 466 Q     0.6645    0     0.000   37.019735   21.108241   19.086234
 467 Q     0.6645    0     0.000   38.248057   23.545988   17.895706
 468 Q    -1.3290    0     0.000   37.397680   22.147590   17.895706
 469 Q     0.6645    0     0.000    5.839254   20.276761   25.397919
 470 Q     0.6645    0     0.000    7.143165   19.445282   23.073556
 471 Q    -1.3290    0     0.000    6.406172   19.142926   24.434159
 472 Q     0.6645    0     0.000   26.059323   19.842124    3.722760
 473 Q     0.6645    0     0.000   25.190049   17.442172    2.475541
 474 Q    -1.3290    0     0.000   24.944385   18.783878    3.363713
 475 Q     0.6645    0     0.000   25.057769    8.220309   26.890803
 476 Q     0.6645    0     0.000   24.490851    5.423514   26.134912
 477 Q    -1.3290    0     0.000   24.150700    6.878603   26.664036
 478 Q     0.6645    0     0.000   22.355460   37.511064   22.090899
 479 Q     0.6645    0     0.000   24.453056   35.678029   22.355460
 480 Q    -1.3290    0     0.000   23.848344   37.095324   22.260974
 481 Q     0.6645    0     0.000   37.964598    7.672288   25.152255
 482 Q     0.6645    0     0.000   38.512619    9.750987   27.117570
 483 Q    -1.3290    0     0.000   38.474824    9.108480   25.624686
 484 Q     0.6645    0     0.000    6.821911   27.684488   25.019974
 485 Q     0.6645    0     0.000    7.917953   27.193159   22.279871
 486 Q    -1.3290    0     0.000    6.878603   27.023084   23.564885
 487 Q     0.6645    0     0.000   30.008851    5.158952   26.909700
 488 Q     0.6645    0     0.000   30.008851    7.747877   25.567995
 489 Q    -1.3290    0     0.000   30.594666    6.311685   25.964837
 490 Q     0.6645    0     0.000    3.344815   22.412152   17.064227
 491 Q     0.6645    0     0.000    3.023562   24.698721   18.764981
 492 Q    -1.3290    0     0.000    3.401507   23.186940   18.387035
 493 Q     0.6645    0     0.000   23.753858   35.035523    5.593589
 494 Q     0.6645    0     0.000   22.941275   33.826098    8.163617
 495 Q    -1.3290    0     0.000   23.999522   34.374118    7.048678
 496 Q     0.6645    0     0.000   20.560220   16.081569    7.615596
 497 Q     0.6645    0     0.000   22.544433   18.179165    6.689631
 498 Q    -1.3290    0     0.000   21.391700   17.479967    7.728980
 499 Q     0.6645    0     0.000   25.605789   32.030858   33.882790
 500 Q     0.6645    0     0.000   24.471953   32.654468   36.339434
 501 Q    -1.3290    0     0.000   25.190049   31.652913   35.337879
 502 Q     0.6645    0     0.000    0.056692   20.012200   22.317666
 503 Q     0.6645    0     0.000    1.511781   22.298768   21.297214
 504 Q    -1.3290    0     0.000    0.566918   21.523981   22.355460
 505 Q     0.6645    0     0.000   30.273413    4.969980   13.398158
 506 Q     0.6645    0     0.000   31.671810    2.796795   11.980864
 507 Q    -1.3290    0     0.000   30.632461    3.477096   13.058008
 508 Q     0.6645    0     0.000   10.601364   23.602679    7.861261
 509 Q     0.6645    0     0.000    9.013994   21.335008    8.730535
 510 Q    -1.3290    0     0.000    9.429733   22.865686    8.636048
 511 Q     0.6645    0     0.000   23.545988   24.944385   35.961488
 512 Q     0.6645    0     0.000   23.942830   27.797871   35.300084
 513 Q    -1.3290    0     0.000   23.413707   26.267193   35.092214
 514 Q     0.6645    0     0.000   16.535104   22.449946    5.574692
 515 Q     0.6645    0     0.000   15.665830   21.901926    2.759000
 516 Q    -1.3290    0     0.000   16.478412   22.620022    3.968425
 517 Q     0.6645    0     0.000    9.467528   34.468605   22.865686
 518 Q     0.6645    0     0.000    9.070685   32.352111   20.635809
 519 Q    -1.3290    0     0.000    9.051788   33.807201   21.410597
 520 Q     0.6645    0     0.000   27.949050   14.494199   40.988160
 521 Q     0.6645    0     0.000   25.246741   15.212295   39.778735
 522 Q    -1.3290    0     0.000   26.493960   15.325679   40.855879
 523 Q     0.6645    0     0.000   20.465734   11.999761   37.000838
 524 Q     0.6645    0     0.000   18.027987   10.469083   36.603995
 525 Q    -1.3290    0     0.000   19.369693   10.828131   37.322091
 526 Q     0.6645    0     0.000   16.705179   10.847028   32.484392
 527 Q     0.6645    0     0.000   18.009090    8.201411   32.748954
 528 Q    -1.3290    0     0.000   16.799665    9.316350   32.786748
 529 Q     0.6645    0     0.000   14.947734   26.512858   13.473747
 530 Q     0.6645    0     0.000   12.150939   25.549097   13.303672
 531 Q    -1.3290    0     0.000   13.530439   26.323885   12.831240
 532 Q     0.6645    0     0.000   10.960412   37.133119   13.473747
 533 Q     0.6645    0     0.000   12.963521   35.791413   12.113145
 534 Q    -1.3290    0     0.000   11.772994   35.848105   13.152494
 535 Q     0.6645    0     0.000   29.876570   22.544433    3.136945
 536 Q     0.6645    0     0.000   28.912810   22.223179    5.895946
 537 Q    -1.3290    0     0.000   28.818324   22.090899    4.270781
 538 Q     0.6645    0     0.000   13.152494   18.972850    9.467528
 539 Q     0.6645    0     0.000   10.695850   17.498864    9.618706
 540 Q    -1.3290    0     0.000   12.283220   17.668939    9.694295
 541 Q     0.6645    0     0.000   33.126899   28.289200   11.489535
 542 Q     0.6645    0     0.000   31.804091   26.210501   13.133597
 543 Q    -1.3290    0     0.000   31.860783   27.571104   12.283220
 544 Q     0.6645    0     0.000   16.440617   30.708050    5.442411
 545 Q     0.6645    0     0.000   19.010645   31.199378    6.878603
 546 Q    -1.3290    0     0.000   18.084679   30.689152    5.706973
 547 Q     0.6645    0     0.000   33.334769   32.465495   20.012200
 548 Q     0.6645    0     0.000   32.465495   29.933262   19.010645
 549 Q    -1.3290    0     0.000   33.089105   31.369454   18.916159
 550 Q     0.6645    0     0.000   10.809233   36.566201   33.561536
 551 Q     0.6645    0     0.000   13.246980   37.794523   33.788303
 552 Q    -1.3290    0     0.000   12.358809   36.566201   33.750509
 553 Q     0.6645    0     0.000   15.004426    8.522665   26.758522
 554 Q     0.6645    0     0.000   14.116254   11.130487   26.380577
 555 Q    -1.3290    0     0.000   14.909939    9.864370   25.945940
 556 Q     0.6645    0     0.000   25.322330   18.727186   33.108002
 557 Q     0.6645    0     0.000   23.980625   20.012200   35.205598
 558 Q    -1.3290    0     0.000   24.188495   18.821672   34.185146
 559 Q     0.6645    0     0.000   26.229399    2.418849   34.449707
 560 Q     0.6645    0     0.000   23.923933    3.703863   33.674920
 561 Q    -1.3290    0     0.000   25.416817    3.552685   33.674920
 562 Q     0.6645    0     0.000    3.231432   28.194714   16.742974
 563 Q     0.6645    0     0.000    3.325918   27.608899   13.870590
 564 Q    -1.3290    0     0.000    3.949528   27.911255   15.325679
 565 Q     0.6645    0     0.000    5.763665   14.059562   28.497070
 566 Q     0.6645    0     0.000    6.689631   16.100467   26.758522
 567 Q    -1.3290    0     0.000    6.765220   15.155604   28.043536
 568 Q     0.6645    0     0.000   17.026432   38.002393   26.966392
 569 Q     0.6645    0     0.000   15.325679   38.871667   24.774310
 570 Q    -1.3290    0     0.000   16.157158   37.832317   25.643584
 571 Q     0.6645    0     0.000   32.389906   11.319460   13.454850
 572 Q     0.6645    0     0.000   34.563091   12.906829   14.021768
 573 Q    -1.3290    0     0.000   33.750509   11.924172   13.114699
 574 Q     0.6645    0     0.000   27.193159   20.031097   13.946179
 575 Q     0.6645    0     0.000   25.095563   21.523981   12.906829
 576 Q    -1.3290    0     0.000   26.493960   21.335008   13.549336
 577 Q     0.6645    0     0.000   26.342782   15.098912   10.166727
 578 Q     0.6645    0     0.000   23.772755   14.891042    9.221864
 579 Q    -1.3290    0     0.000   25.303433   14.569788    9.202966
 580 Q     0.6645    0     0.000    7.861261    6.576247   14.607583
 581 Q     0.6645    0     0.000    9.902165    8.069131   13.246980
 582 Q    -1.3290    0     0.000    8.881713    7.785672   14.456405
 583 Q     0.6645    0     0.000   33.504844   17.442172   33.901687
 584 Q     0.6645    0     0.000   34.619783   16.383926   31.539529
 585 Q    -1.3290    0     0.000   34.657577   17.196508   32.900132
 586 Q     0.6645    0     0.000   39.098434   17.631145   19.331898
 587 Q     0.6645    0     0.000   38.512619   16.327234   21.826337
 588 Q    -1.3290    0     0.000   38.758283   17.574453   20.862577
 589 Q     0.6645    0     0.000   36.811865   34.204043   23.413707
 590 Q     0.6645    0     0.000   33.863892   34.241838   23.527090
 591 Q    -1.3290    0     0.000   35.281187   33.637125   23.168042
 592 Q     0.6645    0     0.000   33.108002   22.223179   15.268987
 593 Q     0.6645    0     0.000   32.030858   24.112905   17.177611
 594 Q    -1.3290    0     0.000   32.295420   23.508193   15.741419
 595 Q     0.6645    0     0.000   13.379261   41.989715   22.865686
 596 Q     0.6645    0     0.000   11.999761   39.608660   21.901926
 597 Q    -1.3290    0     0.000   12.434398   40.704701   22.979070
 598 Q     0.6645    0     0.000   17.290994   16.459515   38.852769
 599 Q     0.6645    0     0.000   18.972850   18.387035   40.534626
 600 Q    -1.3290    0     0.000   18.368138   16.894152   40.024400
 601 Q     0.6645    0     0.000   11.999761    5.215644   16.780768
 602 Q     0.6645    0     0.000   12.736754    3.193637   19.029542
 603 Q    -1.3290    0     0.000   11.791891    4.119603   18.027987
 604 Q     0.6645    0     0.000   16.497309   39.892119   30.726947
 605 Q     0.6645    0     0.000   19.615357   39.665352   29.782084
 606 Q    -1.3290    0     0.000   18.009090   39.136228   30.235618
 607 Q     0.6645    0     0.000    2.607822   22.525536   25.586892
 608 Q     0.6645    0     0.000    4.592035   24.358570   25.738070
 609 Q    -1.3290    0     0.000    3.817247   23.205837   26.304988
 610 Q     0.6645    0     0.000    6.103815   35.337879   19.388590
 611 Q     0.6645    0     0.000    3.571582   36.093769   18.122474
 612 Q    -1.3290    0     0.000    5.045569   36.396125   18.689391
 613 Q     0.6645    0     0.000   11.829686   27.514413   37.057529
 614 Q     0.6645    0     0.000   10.752542   26.040426   39.079536
 615 Q    -1.3290    0     0.000   11.565124   27.268748   38.588208

--------------------------------
INTERNAL COORDINATES (ANGSTROEM)
--------------------------------
 C      0   0   0     0.000000000000     0.00000000     0.00000000
 H      1   0   0     1.082820391385     0.00000000     0.00000000
 H      1   2   0     1.075825264622   113.02817912     0.00000000
 C      1   2   3     1.458800877433   107.04415488   233.61097946
 H      4   1   2     1.101862060332   109.76642125   184.40582772
 H      4   1   2     1.119419492416   107.06069521   299.87992083
 C      4   1   2     1.554027026792   113.25025762    58.17409936
 H      7   4   1     1.092016483392   113.52995721    89.21635341
 H      7   4   1     1.073545527679   103.84421504   335.46195011
 C      7   4   1     1.479932430890   116.50305467   211.87259638
 H     10   7   4     1.137936729348   109.89917472    66.60354064
 H     10   7   4     1.074290463515   114.54312114   307.15120954
 O     10   7   4     1.429475428260   113.17363727   190.16629286
 H     13  10   7     0.996192752433   106.07884325   175.97666876
 O      1   2   3     1.431712261594   108.37481436   108.94880023
 H     15   1   2     0.924608025057   112.15908789    65.91963276
 O     12  10   7     3.097563558670   155.57223436    56.90516142
 H     17  12  10     0.953519795285   172.27741002   240.53727867
 H     17  12  10     0.982445927265    56.65899355   258.90635891
 O      3   1   2     2.593549691060   115.41096859    76.77423000
 H     20   3   1     1.007620960481   150.00012257     3.52910745
 H     20   3   1     0.966953980291    52.59722089    42.43955342
 O     13  10   7     3.002898599687    96.59629502   264.20607567
 H     23  13  10     0.956085770211    19.71709497   109.91127431
 H     23  13  10     0.972111104761    92.96311774   252.24243994
 O      2   1   3     3.349238719470   157.21015312    26.47565633
 H     26   2   1     0.961821189203    50.31171230   217.98682320
 H     26   2   1     1.011582918005    98.72093057   117.05943591
 O     19  17  12     2.077739155910   165.49470725   217.59316675
 H     29  19  17     0.965090669316   116.95367721   352.48777740
 H     29  19  17     1.014396372233   132.72871296   174.57870650
 O     16  15   1     2.047193200458   158.34016916   223.25965902
 H     32  16  15     0.973704267219    93.88619979   256.55391303
 H     32  16  15     0.965556834164    81.81557823   144.04550402
 O     18  17  19     2.241472730149   159.89099554    65.71284376
 H     35  18  17     0.979897953871   118.84672343   255.02954780
 H     35  18  17     0.916515138991   104.76615398   129.61151142
 O     30  29  19     1.901499408362   147.41734950     1.78543865
 H     38  30  29     0.994484791236   112.17377171   297.46196683
 H     38  30  29     0.972522493313   122.49258656   157.63939298
 O     24  23  13     2.948948965310    84.24949029   138.26837891
 H     41  24  23     0.973909646733   103.75541760   258.05938279
 H     41  24  23     0.953624664111    35.98300773   350.65492240
 O     34  32  16     2.044382547372   145.05674044   282.82782450
 H     44  34  32     0.952575456329   140.67220327   268.59352365
 H     44  34  32     0.960104161016    82.84726784    20.83806476
 O     32  16  15     2.747726332807    92.87356825   344.70726234
 H     47  32  16     0.975346092421    99.08135598   314.83378896
 H     47  32  16     0.937336652436    17.22721456    76.35309815
 O     31  29  19     3.014398779193    98.49107846    98.62005669
 H     50  31  29     0.975499871861    45.84471362    13.69145121
 H     50  31  29     0.947839648886   115.97101137   108.18657593
 O     18  17  19     2.717719632339   103.13305274   149.64880736
 H     53  18  17     0.938722536216    95.56949135   126.48477067
 H     53  18  17     0.928385695711    51.08274091    27.63144820
 O     50  31  29     2.879201278133   112.52334797   286.97661343
 H     56  50  31     0.944245730729   114.04189756   323.08608726
 H     56  50  31     0.962964173788    20.22604289   244.86395947
 O     11  10   7     3.165280398322   146.45495069   230.49648188
 H     59  11  10     0.997246208316   100.62115979   264.82666165
 H     59  11  10     0.968194195397    61.15273773   157.15428351
 O     14  13  10     3.694996617049   141.56693725   229.67887086
 H     62  14  13     0.987370244640    83.99454094   351.25490460
 H     62  14  13     0.948367017562    24.87184418   207.02776613
 O     55  53  18     2.545820103621   155.00796610   152.32763643
 H     65  55  53     0.934933152691    67.73566043   180.35359745
 H     65  55  53     0.979489663039   125.92891712    71.28390130
 O     31  29  19     1.630337388395   169.90403840   289.03540316
 H     68  31  29     0.990201999594   131.62762160   162.73460139
 H     68  31  29     0.991211380080   128.50048754   355.12539792
 O     63  62  14     2.974995798316    89.19829935    55.04981519
 H     71  63  62     0.937976545549   115.90718948    39.94193607
 H     71  63  62     0.990252493054   138.51992424   218.19099285
 O     25  23  13     2.022572619215   158.26627527   246.41192901
 H     74  25  23     0.973396116697   132.15838989    34.84915940
 H     74  25  23     0.962600644089    88.52839886   290.72417194
 O     26   2   1     3.088527157077    80.61503943    19.48052331
 H     77  26   2     0.975499871861   108.66062638   306.84966015
 H     77  26   2     0.940956959696     5.66051332   229.68961210
 O     28  26   2     1.788323237002   163.58489627    28.10025570
 H     80  28  26     0.992068546019    88.02961826   137.30002277
 H     80  28  26     0.986002028395   112.36353379   242.17613691
 O     20   3   1     2.756120461809    90.95869687   183.85315728
 H     83  20   3     0.960052081921   107.14675822   152.59263642
 H     83  20   3     0.979489663039    10.94339564   298.40361906
 O     46  44  34     1.908454872403   154.08041842   221.98880678
 H     86  46  44     0.999399819892   149.17054221   151.86001428
 H     86  46  44     1.019117265088    90.98986840    35.20746790
 O     70  68  31     1.924629834540   163.29453099    19.07947400
 H     89  70  68     0.965142476529   110.93778259    35.25187709
 H     89  70  68     0.988989383158   116.08668887   159.87235271
 O     26   2   1     2.754233105603   129.38854654   319.27024800
 H     92  26   2     1.001498876684   103.26456477   276.08082458
 H     92  26   2     0.979897953871     3.18445086   205.93933326
 O     14  13  10     1.993539565697   163.93550994    78.44047085
 H     95  14  13     0.969020123630   122.05291639   260.20884271
 H     95  14  13     0.952102935611   113.84451034    26.49059184
 O     21  20   3     1.967053634246   156.96439912   104.37648263
 H     98  21  20     0.978876907481    96.18045148   306.73821248
 H     98  21  20     0.949578854019    96.65904581   197.89191831
 O     20   3   1     2.808647361276   108.28147565   250.52330506
 H    101  20   3     0.955248658727    82.39220415   178.28590442
 H    101  20   3     0.981325634028    19.85842436   317.20686265
 Q     69  68  31     2.643671689148   114.17639472   163.95487154
 Q    104  69  68     1.525155729754    64.24665631   225.24187045
 Q    104  69  68     0.838152730712    45.07337020   202.16942657
 Q     63  62  14     2.868971941306   138.47879046   267.17296360
 Q    107  63  62     1.524499918006    56.09899416   150.76328188
 Q    107  63  62     0.833186653758    52.75867689   119.57074999
 Q     47  32  16     6.282014008262   134.37181788   129.81439582
 Q    110  47  32     1.529378958924   106.13586304   314.06212489
 Q    110  47  32     0.836241591886    83.07926435   304.57884572
 Q     33  32  16     2.241896518575   160.03098326    73.37326333
 Q    113  33  32     1.637131637957    77.91371013   211.22655036
 Q    114 113  33     0.889213135306    23.56096548    35.07237870
 Q     96  95  14     5.513719252918   134.33347621   207.69618195
 Q    116  96  95     1.605677427132    77.65768554   356.58215523
 Q    116  96  95     0.860987804792    59.38379397     9.61721729
 Q    113  33  32     3.792953993921   137.73117853   102.95891740
 Q    119 113  33     1.476854766048   110.51489070   336.37504795
 Q    119 113  33     0.831745153277   128.18297099   311.48041238
 Q     40  38  30     4.365879063831   124.19251834   280.32802169
 Q    122  40  38     1.469081345603    37.92256915    19.31301960
 Q    122  40  38     0.808022276921    20.18342185   338.74274754
 Q    111 110  47     3.215182731977   115.65729989   301.18877266
 Q    125 111 110     1.447376937774   105.87450638   152.00322949
 Q    126 125 111     0.808455317256    27.80873499   261.41651906
 Q     77  26   2     1.756957597667    93.43468601   149.97489562
 Q    128  77  26     1.483172275901   143.57965451   244.26534958
 Q    129 128  77     0.822070556583    26.76925109   180.86541882
 Q    119 113  33     4.103340102892    64.53172832   234.28139973
 Q    131 119 113     1.605677427132    71.62930665   108.84723789
 Q    131 119 113     0.870976463517    83.25433278    87.77748350
 Q     67  65  55     2.455809438861    85.22586332   258.27835595
 Q    134  67  65     1.629846618550   116.24518817   166.65653132
 Q    135 134  67     0.879886356298    22.71999798   324.97754750
 Q     87  86  46     2.563649742067   129.36383215   305.38040202
 Q    137  87  86     1.549870962371    90.96186614    72.71885560
 Q    138 137  87     0.828552955459    25.33941045    56.93815449
 Q     88  86  46     2.506192331007   170.34148816    58.05219101
 Q    140  88  86     1.393197760549    67.17966637   220.49772504
 Q    140  88  86     0.800874522007    37.97459825   228.74087277
 Q     72  71  63     2.446834689962   134.13925935    74.04370283
 Q    143  72  71     1.599937498779    73.92173008    92.35593583
 Q    144 143  72     0.859592926914    21.95004305    48.20539258
 Q    101  20   3     1.878030883665    92.60677036    73.70812694
 Q    146 101  20     1.584045453893   121.88539239    45.74636428
 Q    147 146 101     0.841427358719    24.33885386   182.81345167
 Q     93  92  26     3.584536232206    84.99168793   181.20310712
 Q    149  93  92     1.487111293750    55.46331099   286.25543284
 Q    150 149  93     0.809629544915    26.35128671   201.84802861
 Q     81  80  28     3.332476556557   155.98200196   155.22781354
 Q    152  81  80     1.622097407679   138.87318592   344.04406375
 Q    152  81  80     0.866890996608   125.10171683     6.88966404
 Q    153 152  81     3.615826323263   110.18698136   300.10304167
 Q    155 153 152     1.540584304736    93.32102218   173.89327497
 Q    155 153 152     0.844097150807    82.72677933   196.82077104
 Q    102 101  20     2.637328193456    81.05079240   131.34971385
 Q    158 102 101     1.604337869652    71.94591549    78.69395151
 Q    159 158 102     0.846758525201    23.11776686   176.99464197
 Q     59  11  10     2.040269590030   128.33676589    90.57160824
 Q    161  59  11     1.519012837339   134.89388950    72.99272750
 Q    161  59  11     0.834805366538   160.17672798    84.20191729
 Q    131 119 113     5.563263430757   154.48727881   274.81489781
 Q    164 131 119     1.522957648787   124.06833467   334.20266736
 Q    165 164 131     0.837257427557    24.83361237    77.41025888
 Q    107  63  62     3.305238266752   105.04262330   264.67632501
 Q    167 107  63     1.481350734971   153.41638339   180.62949281
 Q    167 107  63     0.826861536172   172.24827109   277.13105636
 Q    127 126 125     1.981640734341   118.23821517   131.87816360
 Q    170 127 126     1.458800877433   133.82579635   230.00337306
 Q    171 170 127     0.812034482026    27.33719895   181.85955493
 Q    104  69  68     4.090635647427   148.23125682   200.85744144
 Q    173 104  69     1.625115380519    47.94333444   168.88407214
 Q    173 104  69     0.866371744692    71.05670886   169.38255656
 Q     53  18  17     3.979384374498   146.13554910   214.80420870
 Q    176  53  18     1.457017501611   122.03275875   299.24967571
 Q    177 176  53     0.814555093287    27.29259064    38.38775265
 Q     76  74  25     2.419214748632   162.71759479   188.71175007
 Q    179  76  74     1.490436177768    80.65479062   154.35976106
 Q    180 179  76     0.812896057316    25.40591577     8.55491882
 Q    110  47  32     3.670585784313    78.91595402    39.51507985
 Q    182 110  47     1.470170058191    74.03363434   356.30503677
 Q    182 110  47     0.822070556583    99.46096051   347.53230532
 Q    140  88  86     2.213820227570   113.88045414    16.99444127
 Q    185 140  88     1.594427797048    81.55964111   177.98178606
 Q    185 140  88     0.867409937688    69.30555268   157.24450728
 Q    173 104  69     3.860440389386    96.76457777   343.81783164
 Q    188 173 104     1.603184331261   172.29360525   197.02855089
 Q    188 173 104     0.854224794770   158.99742374   302.40294641
 Q    144 143  72     3.100209670329    89.22142257   146.95332051
 Q    191 144 143     1.548095604283    85.77247927   309.30301421
 Q    191 144 143     0.834565755348   107.77362084   309.25799246
 Q    162 161  59     2.786036611389   155.41593164   168.27976986
 Q    194 162 161     1.565247584250   119.06347678   332.55548335
 Q    195 194 162     0.845872330792    24.35227409   146.65347273
 Q    132 131 119     2.114663093734   160.93909382   344.68425068
 Q    197 132 131     1.571432467528   140.07236646   298.73420143
 Q    197 132 131     0.850646812725   122.59403343   276.35961069
 Q     75  74  25     3.581759344233   129.17134322   163.58354987
 Q    200  75  74     1.389172415505    62.08005780   333.56882478
 Q    200  75  74     0.780576709875    77.94106636   304.18136848
 Q     91  89  70     2.212758459480   151.16714684   217.24135986
 Q    203  91  89     1.587734234688    85.65618016   148.36522829
 Q    203  91  89     0.836480723030    69.39120953   165.90879775
 Q    176  53  18     3.572408151374    83.67924411   180.48535751
 Q    206 176  53     1.528561415187    90.63585810   324.97652224
 Q    207 206 176     0.827888881433    23.95237859   178.87473072
 Q     98  21  20     2.067704040718   102.75954258    29.86185892
 Q    209  98  21     1.524631102923   126.25235910   313.04708655
 Q    210 209  98     0.840773453434    25.08112139   152.34633025
 Q     71  63  62     1.794380115806    58.59989701   121.75426066
 Q    212  71  63     1.611396909517   162.44518764   354.82759577
 Q    213 212  71     0.870689382042    23.04097799   121.89747758
 Q     52  50  31     2.402852471543   150.49736918   115.70484784
 Q    215  52  50     1.586379525839    80.39382754   206.85137052
 Q    216 215  52     0.855336191214    24.20460177    40.17491873
 Q    191 144 143     2.407675227268    90.81751928   164.77162945
 Q    218 191 144     1.575848977536   145.08509223    49.23723604
 Q    218 191 144     0.847702778101   122.51915011    44.42063686
 Q    122  40  38     3.304996217850   125.85397339   117.73761080
 Q    221 122  40     1.570986950932    43.88372817   350.39542890
 Q    221 122  40     0.842911620515    28.86109371    28.65080325
 Q    135 134  67     3.807177432167   173.86693472    76.42439869
 Q    224 135 136     1.576990805300    68.22414477   337.43234978
 Q    225 224 135     0.867006343691    24.90656169   126.76439906
 Q    152  81  80     2.267267077342    48.80809816   248.25048351
 Q    227 152  81     1.546091847207    83.73721210   282.11047463
 Q    227 152  81     0.836958780347    63.32810976   299.47515503
 Q     60  59  11     3.210747576500   111.50957002   235.91197555
 Q    230  60  59     1.445475700245    99.51132256   238.34381446
 Q    231 230  60     0.804176597521    26.17643810   302.64642504
 Q    136 135 134     2.635943853727    95.04357097   263.68583504
 Q    233 136 135     1.502298239365   133.91299162   305.02377949
 Q    233 136 135     0.844037913840   137.35832868   345.61600157
 Q    149  93  92     4.123420909876   105.59362781     5.42153312
 Q    236 149  93     1.522662142433    12.62375814    51.45234852
 Q    236 149  93     0.844570896965    13.84103512   217.92400577
 Q    186 185 140     3.824905227584   127.90666867   302.93421894
 Q    239 186 185     1.573817016047    66.42784858    16.62011739
 Q    239 186 185     0.847348806573    69.50060842    41.40455651
 Q     54  53  18     2.754523552268   134.15417950   285.37263498
 Q    242  54  53     1.556341864759    76.67828233     0.77511466
 Q    242  54  53     0.836540495135   100.13050180   351.27833553
 Q    105 104  69     2.267774239205    83.96557781    60.58075996
 Q    245 105 104     1.599937498779   136.70976960    33.72063793
 Q    245 105 104     0.845813218152   134.34009224    65.40126800
 Q    175 173 104     2.582653674034    93.15376667   110.74992473
 Q    248 175 173     1.450965195999   109.23278315   321.09781668
 Q    248 175 173     0.811788149704   122.86413950   346.85281206
 Q    107  63  62     3.775420506381   118.46821702     1.75381124
 Q    251 107  63     1.504559736268   123.39612302   152.65988472
 Q    251 107  63     0.816700679564   116.72652240   123.70180458
 Q    216 215  52     3.786977686758   103.59179734   233.18401321
 Q    254 216 215     1.506817839024    25.88467581   136.06884639
 Q    254 216 215     0.832406150866    37.71713822    89.13741752
 Q    215  52  50     2.324241811860   130.84433109    80.90307352
 Q    257 215  52     1.590817399955    69.63514070   263.86182300
 Q    258 257 215     0.850881895447    22.82531335    36.01904073
 Q    225 224 135     2.258738586025   158.20104894   328.49302592
 Q    260 225 224     1.381701849170    83.35578601    33.05669033
 Q    260 225 224     0.809258920247    56.28879212    15.02248176
 Q    133 131 119     4.059421141000   102.66177162   155.84185498
 Q    263 133 131     1.421583623991    21.14117745   158.95124655
 Q    264 263 133     0.784155596805    30.05090105   122.92757190
 Q    230  60  59     2.312249986485    69.89709991    36.25250089
 Q    266 230  60     1.641828249239   139.41310880    55.62893009
 Q    267 266 230     0.880284045067    22.40244101   230.78291363
 Q    178 177 176     1.930077718642   100.08876118   115.37146026
 Q    269 178 177     1.475703222196   130.06826414    77.44699313
 Q    270 269 178     0.812219182241    26.35644226   185.88537516
 Q    246 245 105     3.374285109471   160.07562988    51.30324777
 Q    272 246 245     1.488522757636    76.33835607   230.50011709
 Q    273 272 246     0.821827232452    27.49877525   183.60089682
 Q     37  35  18     1.778482499211    99.37782801   238.82539520
 Q    275  37  35     1.438818960120   116.55300361   176.10096227
 Q    275  37  35     0.800374912151   105.63783812   202.95296235
 Q    201 200  75     2.276598339629   116.92103986    88.15885941
 Q    278 201 200     1.525909564817    66.65831101   277.86739444
 Q    279 278 201     0.831685036537    25.77645122   306.77129244
 Q    189 188 190     4.636237698824   150.13370856   344.62806518
 Q    281 189 188     1.671167256740    98.18596305    63.14191012
 Q    281 189 188     0.878350727216   108.95993808    82.08206283
 Q    117 116  96     2.195153753157   165.93230118   317.84456499
 Q    284 117 118     1.537302832886    85.86555393   169.89091625
 Q    284 117 118     0.828613299435    65.66257422   184.34829444
 Q    129 128  77     4.163808352938   127.81530738   212.24800815
 Q    287 129 128     1.424570110595    66.29903238   219.16344024
 Q    288 287 129     0.798811617342    28.26289026   223.24915354
 Q    141 140  88     2.052242675709   151.02501348   152.60589264
 Q    290 141 140     1.533786165018    89.08255889    93.61344786
 Q    290 141 140     0.842021377401    65.51469357   102.67127945
 Q    119 113  33     2.214994356652    44.89735519     6.12623277
 Q    293 119 113     1.502697574364   142.74527610   206.06264246
 Q    294 293 119     0.836062198643    26.54591239   310.69730351
 Q    258 257 215     3.118364956191    86.42879257   191.77981176
 Q    296 258 257     1.506685103132    99.18165753   302.63859256
 Q    297 296 258     0.828070045346    25.82894168   205.01179737
 Q    274 273 272     3.386044890429   123.99029872   229.94603753
 Q    299 274 273     1.546447541949    12.27138881   332.87080505
 Q    299 274 273     0.837854402626    32.29313908    13.81163018
 Q    240 239 186     2.275499945067   153.04264212   215.09454549
 Q    302 240 239     1.525155729754   104.88501381   275.94922401
 Q    302 240 239     0.835822947759   117.63570896   300.87028254
 Q     58  56  50     4.293355331207    85.16040866   293.28363974
 Q    305  58  56     1.534991856656    54.26564300   105.84162736
 Q    305  58  56     0.838212383588    76.75872506   118.84453981
 Q    303 302 240     2.391359446006   136.28402714   286.06139499
 Q    308 303 302     1.479188966968    75.14271633    18.99475297
 Q    308 303 302     0.822253002427    55.64575646    39.57279536
 Q    131 119 113     2.319590481098   108.24863972   233.96752281
 Q    311 131 119     1.589024858207    88.78276325    15.68571008
 Q    311 131 119     0.863075894693    72.96178130    33.98500898
 Q    110  47  32     3.772015376427    41.38947589   167.62801355
 Q    314 110  47     1.504825571287    96.80724208   181.75289558
 Q    315 314 110     0.818474190186    25.60558200    11.87223376
 Q    174 173 104     1.825541015699   144.56162176   277.42807996
 Q    317 174 173     1.481654480640    79.74581187   154.46292089
 Q    318 317 174     0.813142054010    26.17984021   304.57769844
 Q    119 113  33     2.614364167441    43.99909103   139.41729837
 Q    320 119 113     1.614125150043    56.29174295   227.88826087
 Q    320 119 113     0.859883713068    38.87681364   243.99290365
 Q    228 227 152     2.404558171474   123.75323345   238.54941152
 Q    323 228 227     1.559294712362    68.95203453   124.60029843
 Q    324 323 228     0.854751425854    24.71730018    38.83987253
 Q    312 311 131     2.640265138201   129.55785559   109.27043788
 Q    326 312 311     1.420246457485    90.41866418   248.23720003
 Q    326 312 311     0.786256955454    98.45977409   221.47627964
 Q    102 101  20     2.274840653760   146.07879711   184.33739993
 Q    329 102 101     1.631533021425    65.92383253   145.05341699
 Q    329 102 101     0.871837140755    49.19324185   162.24489440
 Q    253 251 107     2.166771792321   104.16670676   275.23046914
 Q    332 253 251     1.511224668936   134.47271037   310.61777139
 Q    332 253 251     0.830963296422   144.91743802   274.75031875
 Q    110  47  32     2.318490888488    46.13413162    96.14087346
 Q    335 110  47     1.534959282848   142.10304430    22.22870002
 Q    336 335 110     0.844807670420    25.23425400   257.03994426
 Q    294 293 119     1.978534811420   138.82532939    72.24561060
 Q    338 294 293     1.550225790006    95.85337607   179.40975329
 Q    338 294 293     0.826922003577    84.75721794   156.99408708
 Q    251 107  63     2.235039149545    56.21994077   330.42536020
 Q    341 251 107     1.489966442575    77.63694331   246.31660714
 Q    341 251 107     0.822496200599    64.93133517   222.95606308
 Q    305  58  56     2.104328871636    91.87750725   278.77588216
 Q    344 305  58     1.553898323572    90.03854865    84.66691782
 Q    344 305  58     0.850058821494    68.75104360    96.97149248
 Q     40  38  30     2.513583099880   152.33738751   166.47644526
 Q    347  40  38     1.534177303965    67.45392217   135.14172630
 Q    348 347  40     0.828251169634    24.81058117    42.04481208
 Q    116  96  95     2.756301870260    92.90345434   136.24033329
 Q    350 116  96     1.597153718338    72.85690266   182.93512933
 Q    350 116  96     0.866717947201    77.13272977   159.29373215
 Q    160 159 158     2.272685635982   111.17074836   144.32048851
 Q    353 160 159     1.575087299168   163.20023189   264.95881304
 Q    354 353 160     0.848822714116    22.01336758   263.06394873
 Q    210 209  98     2.318835914850   155.96732333   325.65993486
 Q    356 210 209     1.523712571320    90.83840837    38.83929336
 Q    357 356 210     0.829276793357    26.88567014   319.60544419
 Q    248 175 173     2.632470322720   125.82404375   214.57290450
 Q    359 248 175     1.560192295840    86.26707115   294.17723418
 Q    359 248 175     0.846049643933    79.80531226   268.35821948
 Q    130 129 128     2.007809751944    87.65622520   220.45228305
 Q    362 130 129     1.706546219708   169.59730488   306.95738021
 Q    362 130 129     0.898331787259   164.09154768    39.14541951
 Q     56  50  31     2.274840653760    73.56861640    68.63788518
 Q    365  56  50     1.432968945930   172.97435484   189.85413059
 Q    365  56  50     0.806473806146   154.69785863    85.14303499
 Q    166 165 164     2.027140843651   119.77730478   200.26349030
 Q    368 166 165     1.558107826821   147.31292363   278.95371908
 Q    368 166 165     0.844570896965   168.82446412   243.12122040
 Q    219 218 191     3.160126579743   108.64152464    97.68093737
 Q    371 219 218     1.500033332963    66.95246989   301.95448166
 Q    372 371 219     0.824984848346    26.62275348   130.69667419
 Q    109 107  63     2.243256561341    90.65909713   224.96427113
 Q    374 109 107     1.505822034638   116.25705555     3.34478937
 Q    374 109 107     0.821522975942   140.07584268   351.96266593
 Q    301 299 274     2.036663938896   126.50742826   210.18778968
 Q    377 301 299     1.521216618368   141.98737213   327.08400330
 Q    377 301 299     0.843030248568   168.02419442   308.46110957
 Q    135 134  67     2.465218043095    91.59447759    80.55313790
 Q    380 135 134     1.589905657578    91.51609138    86.59689151
 Q    380 135 134     0.834146270147    77.77885466   103.95046917
 Q    287 129 128     2.117215152033    60.87378573    86.90018447
 Q    383 287 129     1.446409347315    88.51054151   279.64993940
 Q    384 383 287     0.804611707596    26.52456416   285.31882662
 Q    189 188 190     2.145203953008   112.18823397   259.32023879
 Q    386 189 188     1.595650337637    86.63865694   100.76200297
 Q    387 386 189     0.861510301738    22.90269993   100.62493058
 Q    290 141 140     3.783199703954    84.02866806     2.45397340
 Q    389 290 141     1.469319570413   124.92634510   244.84485409
 Q    389 290 141     0.827828484651    99.20699859   257.95087099
 Q    173 104  69     3.602360337334    76.18444729    59.00083017
 Q    392 173 104     1.542822089549    98.48649851    70.79312378
 Q    393 392 173     0.851821577562    25.51881283   117.24041893
 Q     62  14  13     3.872286146451   147.77743965   119.61646033
 Q    395  62  14     1.608291018442   131.50564296   221.65876575
 Q    396 395  62     0.867352292901    23.00659622    42.98896180
 Q    236 149  93     2.147021192257    79.57794983   326.13030530
 Q    398 236 149     1.370182469600   105.64830959   117.59192207
 Q    398 236 149     0.802309167341    96.37946398   148.32603931
 Q    340 338 294     1.914915141723   113.18813980   247.86011575
 Q    401 340 338     1.511489331752   140.91982898   101.69924291
 Q    401 340 338     0.833666600027   165.78196729   114.43040787
 Q    367 365  56     2.102831424532    93.73253773    61.46917415
 Q    404 367 365     1.535643187723   104.61499757   333.27998729
 Q    404 367 365     0.837973746605   127.73360209   327.28334735
 Q     93  92  26     2.780737312297   169.02820562   240.44952748
 Q    407  93  92     1.615116094898    54.34567314   148.68878257
 Q    407  93  92     0.872582374335    33.09392133   133.87468108
 Q    232 231 230     1.924811679100   116.99058347   149.43467851
 Q    410 232 231     1.511224668936   147.35451818    85.14697005
 Q    411 410 232     0.819084855189    25.03798152   185.16943149
 Q    307 305  58     1.854642822756   124.96972161   121.72515914
 Q    413 307 305     1.614218076965   153.53636628   343.05031799
 Q    414 413 307     0.867179335547    22.67708913   152.76229615
 Q    133 131 119     2.098642418327    98.36766570   237.48537789
 Q    416 133 131     1.546641522784   128.28182283    10.16522673
 Q    416 133 131     0.849705831450   149.00465843    31.72431202
 Q    118 116  96     1.830136606923   117.43897898   113.81554342
 Q    419 118 116     1.603776792450   141.28235781     7.56089685
 Q    420 419 118     0.860523096727    22.83760950   181.70709698
 Q    160 159 158     1.818378398464    98.95605670   210.86584659
 Q    422 160 159     1.471359915181   143.83578498   304.31272021
 Q    423 422 160     0.813695274658    28.19296277   160.90942268
 Q     84  83  20     2.117498524203   163.72042872    99.24280304
 Q    425  84  83     1.536033853794    73.38006456    94.77543856
 Q    425  84  83     0.821766390162    71.40408636   121.74928258
 Q    291 290 141     2.292356865761   142.57183544   240.62308855
 Q    428 291 290     1.534763825479    73.10435940   310.35513568
 Q    428 291 290     0.839225833730    56.27538660   290.52981417
 Q    204 203  91     2.510318704866   163.81748995   295.30649291
 Q    431 204 203     1.608166658030    65.64373932   259.81802325
 Q    431 204 203     0.856737999624    42.00281657   261.89096938
 Q    100  98  21     2.532627094540   141.93774021   222.62554988
 Q    434 100  98     1.526663027652    53.06488898   163.05456305
 Q    435 434 100     0.847879708449    26.11315545   284.48461355
 Q    231 230  60     2.748836117341    95.60675871   205.03896568
 Q    437 231 230     1.493251485852    49.23867314    76.96742147
 Q    437 231 230     0.815168694198    74.87694227    81.26774876
 Q    431 204 203     2.357286575705   160.88303631   305.05847951
 Q    440 431 204     1.543081332918   117.82716991   256.64252300
 Q    440 431 204     0.846935652810    96.55757459   243.34811256
 Q    337 336 335     1.825184922138    93.21961829   260.23126969
 Q    443 337 336     1.620771421268   171.40691912   213.17857535
 Q    443 337 336     0.875271386485   163.94201125    67.08634883
 Q    272 246 245     2.439221187182    82.23811139    56.13073788
 Q    446 272 246     1.505091359353    72.44380370   303.18368207
 Q    447 446 272     0.826861536172    25.26039979     5.78775727
 Q    379 377 378     2.077041164734   101.62708666   249.84038411
 Q    449 379 377     1.547514135638   169.32270730   252.44195717
 Q    450 449 379     0.837137981458    25.63156746   173.72384124
 Q     53  18  17     1.950820340267   146.02750874   321.43713174
 Q    452  53  18     1.600812293806   126.12498969    53.24431869
 Q    452  53  18     0.862148479092   147.14054009    62.53551747
 Q    258 257 215     2.463879055473   118.85384623   242.21979889
 Q    455 258 257     1.592388143638    92.32403994   355.37648693
 Q    455 258 257     0.852291030107    87.13940053   334.41563765
 Q    216 215  52     2.416174662561   156.95155759   174.28802953
 Q    458 216 215     1.531045394494    56.84230142   181.76961123
 Q    459 458 216     0.832045671823    26.02804285   306.40845138
 Q    329 102 101     2.516942589731   120.28672762     2.00798093
 Q    461 329 102     1.515849596761    65.71900285   155.22457291
 Q    461 329 102     0.818413098624    42.14126990   148.69325806
 Q    407  93  92     2.357286575705    90.66081776    40.60129976
 Q    464 407  93     1.429860133020    96.29539304   191.92287491
 Q    465 464 407     0.791770168673    26.02806917   133.92211887
 Q    408 407  93     2.026030601941    75.63943435    75.37289853
 Q    467 408 407     1.575912434116   116.14280329   314.15926421
 Q    467 408 407     0.859883713068   135.09838067   295.48324847
 Q    242  54  53     2.453263133054   108.82030276    87.84099923
 Q    470 242  54     1.477362514754   113.55673003   343.09963080
 Q    471 470 242     0.834326075345    28.39576311    57.05113814
 Q    188 173 104     2.249110935459    41.06543997    72.75547963
 Q    473 188 173     1.503362896975    96.19027332   169.50016711
 Q    473 188 173     0.835344240418   118.14050508   187.98338443
 Q     48  47  32     2.043232732706    78.08048611   282.81328244
 Q    476  48  47     1.562177966814   112.59553565   214.01161028
 Q    477 476  48     0.838868285251    23.95332615   226.67135220
 Q    334 332 253     1.885762445272   121.93176677   237.38040535
 Q    479 334 332     1.480743056712   140.25449775   291.94215554
 Q    480 479 334     0.816945530620    25.73499781   166.07969104
 Q    316 315 314     2.175339054033   103.46227930   258.16219880
 Q    482 316 315     1.541330594000   114.42430745   209.18571648
 Q    482 316 315     0.844393273303   138.04480032   196.89784883
 Q    419 118 116     2.318124241709    76.67893779   249.16391351
 Q    485 419 118     1.583192976235   133.27041648   198.07000851
 Q    485 419 118     0.846345083285   121.17151928   171.94817788
 Q    336 335 110     1.997748732949   149.16466965    67.63670751
 Q    488 336 335     1.543048929879    90.59292601   257.71731109
 Q    489 488 336     0.847230783199    24.42689582    88.06332229
 Q    143  72  71     2.124852936088   127.46735814   335.16035844
 Q    491 143  72     1.517563837208    92.20203903   287.68589206
 Q    491 143  72     0.811788149704    70.20703749   276.68741200
 Q    360 359 248     2.570097274424   161.49406644    63.30461736
 Q    494 360 359     1.563361762357    66.04626543    42.62169338
 Q    494 360 359     0.855745289207    41.39825711    44.91026669
 Q    217 216 215     1.950897229482   109.44848458   101.95642006
 Q    497 217 216     1.604587174322   174.54352001   192.59916753
 Q    497 217 216     0.863017960416   153.77862338   119.94405860
 Q    154 152  81     2.099785703352   110.53436917    70.42252137
 Q    500 154 152     1.469319570413   141.94227053   157.77900610
 Q    500 154 152     0.825408989532   166.30398664   119.63387314
 Q    192 191 144     2.955435670083   102.67096876    91.66966858
 Q    503 192 191     1.532514273996   101.75718592   265.49846884
 Q    503 192 191     0.844570896965   113.67263354   241.37796087
 Q    211 210 209     2.040661657404   100.35848402   127.67757487
 Q    506 211 210     1.559679454247   162.14023487   162.67858408
 Q    506 211 210     0.832225930863   166.62082599   263.83602706
 Q    446 272 246     2.248799679829    64.97690531    46.37207479
 Q    509 446 272     1.535317556729   128.42566335   157.84992133
 Q    509 446 272     0.839404550857   135.63140568   126.79738986
 Q    391 389 290     1.936801486988    92.67396931   331.63680024
 Q    512 391 389     1.564193082711   142.65283843   315.04896338
 Q    512 391 389     0.840535543567   166.41431821   315.60098298
 Q    247 245 105     2.049609718947   115.14064231    38.40907746
 Q    515 247 245     1.586127359325   150.46866463   108.26273620
 Q    515 247 245     0.855277732669   171.44917648   137.23408605
 Q    202 200  75     2.049243762953   119.32003632   273.72500841
 Q    518 202 200     1.640396293583   156.06929137   137.08894159
 Q    519 518 202     0.872410453858    20.08097021   189.52216149
 Q    186 185 140     3.032062004643   111.33049215   155.47679217
 Q    521 186 185     1.612110418055    81.16320008   292.73296659
 Q    522 521 186     0.874128137060    24.15547940   254.03391348
 Q    196 195 194     1.963720957774    83.76506328   238.18129075
 Q    524 196 195     1.537628043449   157.72775913    48.08108216
 Q    525 524 196     0.827405583738    25.36439720   241.83101482
 Q    454 452  53     2.094516650686    84.81793365   180.29358839
 Q    527 454 452     1.567067324655   156.40740089   106.39794055
 Q    527 454 452     0.827163828996   172.65705984    27.49850037
 Q    108 107  63     1.875046666086   143.54276125   205.68318664
 Q    530 108 107     1.567992346920    74.75459008   215.07622804
 Q    530 108 107     0.829517932296    73.90118878   239.61909340
 Q    167 107  63     2.230560467685    60.02841505   127.50158918
 Q    533 167 107     1.464957337263    93.88327022    53.57473420
 Q    533 167 107     0.822313808713    80.41237692    28.63452548
 Q    173 104  69     2.363577796477   130.90795933   333.11536824
 Q    536 173 104     1.555827753963    59.01199216   339.54978694
 Q    536 173 104     0.855102333057    51.60731859     9.18073120
 Q    247 245 105     2.220720603768    94.49477129   142.52678337
 Q    539 247 245     1.518156777148   165.47186353   145.79654146
 Q    539 247 245     0.837914076741   166.93424708     7.65533880
 Q    398 236 149     2.270220253632    91.11560888   304.08654778
 Q    542 398 236     1.567450158697    81.90798514   153.03388752
 Q    543 542 398     0.849588135510    25.24507861    40.22966628
 Q    301 299 274     2.352913088068   121.73026805    96.54198986
 Q    545 301 299     1.579493589731   121.14591957   117.20529587
 Q    546 545 301     0.835104783845    23.69978562   212.51546092
 Q    237 236 238     2.736457564078   110.33992998   181.61606071
 Q    548 237 236     1.512646687102    72.13402341   109.99683874
 Q    549 548 237     0.830060238778    24.37163517   352.68768104
 Q    278 201 200     2.413752265664    98.80232898    59.32022504
 Q    551 278 201     1.449482666333    78.48039652   243.35580602
 Q    552 551 278     0.802371485037    27.54419039   315.37981234
 Q    275  37  35     2.142195135836   141.83157566    60.40958916
 Q    554 275  37     1.471495837575    53.83660766    18.59837850
 Q    555 554 275     0.823528991597    27.38684448   255.83182188
 Q    140  88  86     2.249577738154    94.70551630   307.00062731
 Q    557 140  88     1.482767682410   120.52700531   224.17037864
 Q    557 140  88     0.829095893127   144.92437704   207.07783778
 Q    198 197 132     2.278003511850   128.23597170   130.25319202
 Q    560 198 197     1.455644187293    88.90618694   275.70826845
 Q    561 560 198     0.794040301244    28.24674085   321.17620512
 Q    397 396 395     2.011839953873    93.65040949   205.27483336
 Q    563 397 396     1.552095357895   160.87384575   307.96228478
 Q    564 563 397     0.852877482409    24.61026417   209.84387522
 Q    242  54  53     2.732288418158    61.46074860   167.32339923
 Q    566 242  54     1.500966355386    46.64797590   280.94801714
 Q    566 242  54     0.821522975942    31.71275889   315.79601622
 Q    279 278 201     2.403414238120   126.90826837    86.56787905
 Q    569 279 278     1.538570765353   107.07878017   265.33523225
 Q    570 569 279     0.841249071322    23.98054144   314.52984254
 Q    209  98  21     2.273147597496    94.13114020    61.39401135
 Q    572 209  98     1.455369368923   124.54152718    30.23987976
 Q    572 209  98     0.808207894047   140.93295996    60.95032984
 Q     83  20   3     2.150023255688    87.18035034    38.61834526
 Q    575  83  20     1.469251510123   127.78789556   229.76802012
 Q    575  83  20     0.810617048920   148.09835200   205.02886345
 Q     83  20   3     1.894571191589   132.35570406   283.70863356
 Q    578  83  20     1.453168950948   143.78350239    58.57962381
 Q    578  83  20     0.800624756050   169.32709587    29.61386521
 Q    219 218 191     2.379663841806   111.09042423   176.98547472
 Q    581 219 218     1.519506498834    76.86992992   128.78402133
 Q    581 219 218     0.841189633793    50.63595345   129.74237607
 Q    187 185 140     1.949076704494   117.38335525   279.98832646
 Q    584 187 185     1.491375204300   121.35675175     3.16214327
 Q    584 187 185     0.818474190186   147.54439843     1.80682018
 Q    463 461 329     1.986781316602    98.55917402   282.31316675
 Q    587 463 461     1.521380951636   130.31441854   195.63279899
 Q    587 463 461     0.830301150186   153.40614392   211.43420656
 Q    323 228 227     2.503876993784   124.02132225    25.38104417
 Q    590 323 228     1.561281524902    66.71737668   344.43305161
 Q    591 590 323     0.837257427557    24.67869205   308.67613151
 Q    159 158 102     2.104162541250    89.86931113   283.99565977
 Q    593 159 158     1.531339283111   143.42900340   170.30776728
 Q    594 593 159     0.836420946653    24.29626566   140.99254333
 Q    570 569 279     2.191688846529   147.93349147   135.97096745
 Q    596 570 569     1.542919310917    76.10619486   199.66768583
 Q    597 596 570     0.845103543952    24.19331687    69.23073618
 Q    208 207 206     1.986101709379   105.38748169   157.54076122
 Q    599 208 207     1.620061727219   170.82041348    39.21587487
 Q    599 208 207     0.873040663429   164.15933079   255.66505584
 Q    307 305  58     2.158240023723   106.51315377   219.59289717
 Q    602 307 305     1.647149052150   108.72108500    30.28784434
 Q    603 602 307     0.878066056741    21.02680895   175.66539597
 Q    569 279 278     2.244660330651    90.00000000    24.25412733
 Q    605 569 279     1.728265025973    66.01424394   117.99885840
 Q    606 605 569     0.926552750792    21.59784063   300.07344102
 Q    470 242  54     2.085713307240   120.08923304   162.75637834
 Q    608 470 242     1.431712261594    77.75770660    88.09933227
 Q    609 608 470     0.793851371480    28.56694137   293.06634044
 Q    520 519 518     2.057814374525    96.41555753   205.76451251
 Q    611 520 519     1.550645027077   168.90507046    66.86654998
 Q    612 611 520     0.850881895447    26.36249459   151.38039854
 Q    382 380 135     1.980050504406   119.53140317    63.68979586
 Q    614 382 380     1.441596337398   138.81163115   225.41625143
 Q    615 614 382     0.821583836258    29.55325541   202.50578188

---------------------------
INTERNAL COORDINATES (A.U.)
---------------------------
 C      0   0   0     0.000000000000     0.00000000     0.00000000
 H      1   0   0     2.046233991944     0.00000000     0.00000000
 H      1   2   0     2.033015118090   113.02817912     0.00000000
 C      1   2   3     2.756734142273   107.04415488   233.61097946
 H      4   1   2     2.082217531386   109.76642125   184.40582772
 H      4   1   2     2.115396269639   107.06069521   299.87992083
 C      4   1   2     2.936685485349   113.25025762    58.17409936
 H      7   4   1     2.063612087339   113.52995721    89.21635341
 H      7   4   1     2.028707039610   103.84421504   335.46195011
 C      7   4   1     2.796666991090   116.50305467   211.87259638
 H     10   7   4     2.150388776198   109.89917472    66.60354064
 H     10   7   4     2.030114764327   114.54312114   307.15120954
 O     10   7   4     2.701317074582   113.17363727   190.16629286
 H     13  10   7     1.882531478696   106.07884325   175.97666876
 O      1   2   3     2.705544076991   108.37481436   108.94880023
 H     15   1   2     1.747255948584   112.15908789    65.91963276
 O     12  10   7     5.853546808301   155.57223436    56.90516142
 H     17  12  10     1.801891276361   172.27741002   240.53727867
 H     17  12  10     1.856553743918    56.65899355   258.90635891
 O      3   1   2     4.901098630820   115.41096859    76.77423000
 H     20   3   1     1.904127662107   150.00012257     3.52910745
 H     20   3   1     1.827278206854    52.59722089    42.43955342
 O     13  10   7     5.674655961343    96.59629502   264.20607567
 H     23  13  10     1.806740266238    19.71709497   109.91127431
 H     23  13  10     1.837023759742    92.96311774   252.24243994
 O      2   1   3     6.329143936924   157.21015312    26.47565633
 H     26   2   1     1.817578637396    50.31171230   217.98682320
 H     26   2   1     1.911614676783    98.72093057   117.05943591
 O     19  17  12     3.926357982394   165.49470725   217.59316675
 H     29  19  17     1.823757059409   116.95367721   352.48777740
 H     29  19  17     1.916931334764   132.72871296   174.57870650
 O     16  15   1     3.868634492091   158.34016916   223.25965902
 H     32  16  15     1.840034400474    93.88619979   256.55391303
 H     32  16  15     1.824637983305    81.81557823   144.04550402
 O     18  17  19     4.235769596634   159.89099554    65.71284376
 H     35  18  17     1.851738772005   118.84672343   255.02954780
 H     35  18  17     1.731962610286   104.76615398   129.61151142
 O     30  29  19     3.593313125617   147.41734950     1.78543865
 H     38  30  29     1.879303899786   112.17377171   297.46196683
 H     38  30  29     1.837801171440   122.49258656   157.63939298
 O     24  23  13     5.572705927345    84.24949029   138.26837891
 H     41  24  23     1.840422511510   103.75541760   258.05938279
 H     41  24  23     1.802089449722    35.98300773   350.65492240
 O     34  32  16     3.863323127502   145.05674044   282.82782450
 H     44  34  32     1.800106734356   140.67220327   268.59352365
 H     44  34  32     1.814333924358    82.84726784    20.83806476
 O     32  16  15     5.192450259969    92.87356825   344.70726234
 H     47  32  16     1.843137000465    99.08135598   314.83378896
 H     47  32  16     1.771309568391    17.22721456    76.35309815
 O     31  29  19     5.696388151101    98.49107846    98.62005669
 H     50  31  29     1.843427601492    45.84471362    13.69145121
 H     50  31  29     1.791157355266   115.97101137   108.18657593
 O     18  17  19     5.135745813902   103.13305274   149.64880736
 H     53  18  17     1.773928509188    95.56949135   126.48477067
 H     53  18  17     1.754394711543    51.08274091    27.63144820
 O     50  31  29     5.440901900107   112.52334797   286.97661343
 H     56  50  31     1.784365834202   114.04189756   323.08608726
 H     56  50  31     1.819738565238    20.22604289   244.86395947
 O     11  10   7     5.981513089897   146.45495069   230.49648188
 H     59  11  10     1.884522221808   100.62115979   264.82666165
 H     59  11  10     1.829621873752    61.15273773   157.15428351
 O     14  13  10     6.982531671987   141.56693725   229.67887086
 H     62  14  13     1.865859355152    83.99454094   351.25490460
 H     62  14  13     1.792153937636    24.87184418   207.02776613
 O     55  53  18     4.810902782074   155.00796610   152.32763643
 H     65  55  53     1.766767612109    67.73566043   180.35359745
 H     65  55  53     1.850967214150   125.92891712    71.28390130
 O     31  29  19     3.080891169960   169.90403840   289.03540316
 H     68  31  29     1.871210596494   131.62762160   162.73460139
 H     68  31  29     1.873118049177   128.50048754   355.12539792
 O     63  62  14     5.621927308384    89.19829935    55.04981519
 H     71  63  62     1.772518791129   115.90718948    39.94193607
 H     71  63  62     1.871306015305   138.51992424   218.19099285
 O     25  23  13     3.822108336285   158.26627527   246.41192901
 H     74  25  23     1.839452080379   132.15838989    34.84915940
 H     74  25  23     1.819051593664    88.52839886   290.72417194
 O     26   2   1     5.836470484053    80.61503943    19.48052331
 H     77  26   2     1.843427601492   108.66062638   306.84966015
 H     77  26   2     1.778150957632     5.66051332   229.68961210
 O     28  26   2     3.379441156861   163.58489627    28.10025570
 H     80  28  26     1.874737858053    88.02961826   137.30002277
 H     80  28  26     1.863273801158   112.36353379   242.17613691
 O     20   3   1     5.208312864915    90.95869687   183.85315728
 H     83  20   3     1.814235509131   107.14675822   152.59263642
 H     83  20   3     1.850967214150    10.94339564   298.40361906
 O     46  44  34     3.606457047790   154.08041842   221.98880678
 H     86  46  44     1.888591957886   149.17054221   151.86001428
 H     86  46  44     1.925852529367    90.98986840    35.20746790
 O     70  68  31     3.637023296454   163.29453099    19.07947400
 H     89  70  68     1.823854960854   110.93778259    35.25187709
 H     89  70  68     1.868919083525   116.08668887   159.87235271
 O     26   2   1     5.204746278569   129.38854654   319.27024800
 H     92  26   2     1.892558600363   103.26456477   276.08082458
 H     92  26   2     1.851738772005     3.18445086   205.93933326
 O     14  13  10     3.767243816304   163.93550994    78.44047085
 H     95  14  13     1.831182651919   122.05291639   260.20884271
 H     95  14  13     1.799213799608   113.84451034    26.49059184
 O     21  20   3     3.717192659459   156.96439912   104.37648263
 H     98  21  20     1.849809273959    96.18045148   306.73821248
 H     98  21  20     1.794443976659    96.65904581   197.89191831
 O     20   3   1     5.307574319571   108.28147565   250.52330506
 H    101  20   3     1.805158354790    82.39220415   178.28590442
 H    101  20   3     1.854436696509    19.85842436   317.20686265
 Q     69  68  31     4.995815480490   114.17639472   163.95487154
 Q    104  69  68     2.882126640815    64.24665631   225.24187045
 Q    104  69  68     1.583879119444    45.07337020   202.16942657
 Q     63  62  14     5.421571254972   138.47879046   267.17296360
 Q    107  63  62     2.880887336217    56.09899416   150.76328188
 Q    107  63  62     1.574494594040    52.75867689   119.57074999
 Q     47  32  16    11.871286045072   134.37181788   129.81439582
 Q    110  47  32     2.890107387348   106.13586304   314.06212489
 Q    110  47  32     1.580267590459    83.07926435   304.57884572
 Q     33  32  16     4.236570440699   160.03098326    73.37326333
 Q    113  33  32     3.093730440917    77.91371013   211.22655036
 Q    114 113  33     1.680369300413    23.56096548    35.07237870
 Q     96  95  14    10.419419367344   134.33347621   207.69618195
 Q    116  96  95     3.034290596698    77.65768554   356.58215523
 Q    116  96  95     1.627031155702    59.38379397     9.61721729
 Q    113  33  32     7.167644287073   137.73117853   102.95891740
 Q    119 113  33     2.790851047408   110.51489070   336.37504795
 Q    119 113  33     1.571770552910   128.18297099   311.48041238
 Q     40  38  30     8.250315764462   124.19251834   280.32802169
 Q    122  40  38     2.776161411643    37.92256915    19.31301960
 Q    122  40  38     1.526940813487    20.18342185   338.74274754
 Q    111 110  47     6.075814833948   115.65729989   301.18877266
 Q    125 111 110     2.735146024946   105.87450638   152.00322949
 Q    126 125 111     1.527759141127    27.80873499   261.41651906
 Q     77  26   2     3.320168688503    93.43468601   149.97489562
 Q    128  77  26     2.802789410877   143.57965451   244.26534958
 Q    129 128  77     1.553488214701    26.76925109   180.86541882
 Q    119 113  33     7.754189028802    64.53172832   234.28139973
 Q    131 119 113     3.034290596698    71.62930665   108.84723789
 Q    131 119 113     1.645906985138    83.25433278    87.77748350
 Q     67  65  55     4.640807276547    85.22586332   258.27835595
 Q    134  67  65     3.079963749358   116.24518817   166.65653132
 Q    135 134  67     1.662744242378    22.71999798   324.97754750
 Q     87  86  46     4.844595915804   129.36383215   305.38040202
 Q    137  87  86     2.928831661798    90.96186614    72.71885560
 Q    138 137  87     1.565738173269    25.33941045    56.93815449
 Q     88  86  46     4.736017144538   170.34148816    58.05219101
 Q    140  88  86     2.632762217831    67.17966637   220.49772504
 Q    140  88  86     1.513433514228    37.97459825   228.74087277
 Q     72  71  63     4.623847459006   134.13925935    74.04370283
 Q    143  72  71     3.023443704084    73.92173008    92.35593583
 Q    144 143  72     1.624395218523    21.95004305    48.20539258
 Q    101  20   3     3.548964041173    92.60677036    73.70812694
 Q    146 101  20     2.993412091541   121.88539239    45.74636428
 Q    147 146 101     1.590067269567    24.33885386   182.81345167
 Q     93  92  26     6.773791795988    84.99168793   181.20310712
 Q    149  93  92     2.810233075850    55.46331099   286.25543284
 Q    150 149  93     1.529978109821    26.35128671   201.84802861
 Q     81  80  28     6.297468039605   155.98200196   155.22781354
 Q    152  81  80     3.065319863058   138.87318592   344.04406375
 Q    152  81  80     1.638186571551   125.10171683     6.88966404
 Q    153 152  81     6.832921498790   110.18698136   300.10304167
 Q    155 153 152     2.911282422169    93.32102218   173.89327497
 Q    155 153 152     1.595112445448    82.72677933   196.82077104
 Q    102 101  20     4.983828010902    81.05079240   131.34971385
 Q    158 102 101     3.031759199921    71.94591549    78.69395151
 Q    159 158 102     1.600141714192    23.11776686   176.99464197
 Q     59  11  10     3.855550764524   128.33676589    90.57160824
 Q    161  59  11     2.870518256481   134.89388950    72.99272750
 Q    161  59  11     1.577553517884   160.17672798    84.20191729
 Q    131 119 113    10.513044294990   154.48727881   274.81489781
 Q    164 131 119     2.877972869769   124.06833467   334.20266736
 Q    165 164 131     1.582187241675    24.83361237    77.41025888
 Q    107  63  62     6.245995131517   105.04262330   264.67632501
 Q    167 107  63     2.799347197379   153.41638339   180.62949281
 Q    167 107  63     1.562541854038   172.24827109   277.13105636
 Q    127 126 125     3.744758283727   118.23821517   131.87816360
 Q    170 127 126     2.756734142273   133.82579635   230.00337306
 Q    171 170 127     1.534522782331    27.33719895   181.85955493
 Q    104  69  68     7.730181087293   148.23125682   200.85744144
 Q    173 104  69     3.071023005204    47.94333444   168.88407214
 Q    173 104  69     1.637205327635    71.05670886   169.38255656
 Q     53  18  17     7.519946649407   146.13554910   214.80420870
 Q    176  53  18     2.753364050374   122.03275875   299.24967571
 Q    177 176  53     1.539286047303    27.29259064    38.38775265
 Q     76  74  25     4.571653334058   162.71759479   188.71175007
 Q    179  76  74     2.816516196070    80.65479062   154.35976106
 Q    180 179  76     1.536150923672    25.40591577     8.55491882
 Q    110  47  32     6.936401883416    78.91595402    39.51507985
 Q    182 110  47     2.778218780271    74.03363434   356.30503677
 Q    182 110  47     1.553488214701    99.46096051   347.53230532
 Q    140  88  86     4.183513939843   113.88045414    16.99444127
 Q    185 140  88     3.013031876732    81.55964111   177.98178606
 Q    185 140  88     1.639167228072    69.30555268   157.24450728
 Q    173 104  69     7.295175092267    96.76457777   343.81783164
 Q    188 173 104     3.029579328277   172.29360525   197.02855089
 Q    188 173 104     1.614250918921   158.99742374   302.40294641
 Q    144 143  72     5.858547234656    89.22142257   146.95332051
 Q    191 144 143     2.925476721222    85.77247927   309.30301421
 Q    191 144 143     1.577100718357   107.77362084   309.25799246
 Q    162 161  59     5.264846194603   155.41593164   168.27976986
 Q    194 162 161     2.957889266014   119.06347678   332.55548335
 Q    195 194 162     1.598467049459    24.35227409   146.65347273
 Q    132 131 119     3.996134112668   160.93909382   344.68425068
 Q    197 132 131     2.969577001579   140.07236646   298.73420143
 Q    197 132 131     1.607489512744   122.59403343   276.35961069
 Q     75  74  25     6.768544238214   129.17134322   163.58354987
 Q    200  75  74     2.625155418102    62.08005780   333.56882478
 Q    200  75  74     1.475076208182    77.94106636   304.18136848
 Q     91  89  70     4.181507488935   151.16714684   217.24135986
 Q    203  91  89     3.000382877011    85.65618016   148.36522829
 Q    203  91  89     1.580719482830    69.39120953   165.90879775
 Q    176  53  18     6.750873044684    83.67924411   180.48535751
 Q    206 176  53     2.888562453583    90.63585810   324.97652224
 Q    207 206 176     1.564483255226    23.95237859   178.87473072
 Q     98  21  20     3.907394362959   102.75954258    29.86185892
 Q    209  98  21     2.881135239783   126.25235910   313.04708655
 Q    210 209  98     1.588831567662    25.08112139   152.34633025
 Q     71  63  62     3.390886999027    58.59989701   121.75426066
 Q    212  71  63     3.045098852034   162.44518764   354.82759577
 Q    213 212  71     1.645364479772    23.04097799   121.89747758
 Q     52  50  31     4.540733111432   150.49736918   115.70484784
 Q    215  52  50     2.997822848295    80.39382754   206.85137052
 Q    216 215  52     1.616351153825    24.20460177    40.17491873
 Q    191 144 143     4.549846798963    90.81751928   164.77162945
 Q    218 191 144     2.977922995962   145.08509223    49.23723604
 Q    218 191 144     1.601926093575   122.51915011    44.42063686
 Q    122  40  38     6.245537725381   125.85397339   117.73761080
 Q    221 122  40     2.968735097226    43.88372817   350.39542890
 Q    221 122  40     1.592872117874    28.86109371    28.65080325
 Q    135 134  67     7.194522690041   173.86693472    76.42439869
 Q    224 135 136     2.980080737728    68.22414477   337.43234978
 Q    225 224 135     1.638404545948    24.90656169   126.76439906
 Q    152  81  80     4.284513848633    48.80809816   248.25048351
 Q    227 152  81     2.921690169110    83.73721210   282.11047463
 Q    227 152  81     1.581622880237    63.32810976   299.47515503
 Q     60  59  11     6.067433604736   111.50957002   235.91197555
 Q    230  60  59     2.731553206702    99.51132256   238.34381446
 Q    231 230  60     1.519673532623    26.17643810   302.64642504
 Q    136 135 134     4.981211987937    95.04357097   263.68583504
 Q    233 136 135     2.838932243872   133.91299162   305.02377949
 Q    233 136 135     1.595000503805   137.35832868   345.61600157
 Q    149  93  92     7.792136254549   105.59362781     5.42153312
 Q    236 149  93     2.877414443689    12.62375814    51.45234852
 Q    236 149  93     1.596007695944    13.84103512   217.92400577
 Q    186 185 140     7.228023368338   127.90666867   302.93421894
 Q    239 186 185     2.974083145235    66.42784858    16.62011739
 Q    239 186 185     1.601257184327    69.50060842    41.40455651
 Q     54  53  18     5.205295143223   134.15417950   285.37263498
 Q    242  54  53     2.941059895150    76.67828233     0.77511466
 Q    242  54  53     1.580832435739   100.13050180   351.27833553
 Q    105 104  69     4.285472245658    83.96557781    60.58075996
 Q    245 105 104     3.023443704084   136.70976960    33.72063793
 Q    245 105 104     1.598355342757   134.34009224    65.40126800
 Q    175 173 104     4.880508142689    93.15376667   110.74992473
 Q    248 175 173     2.741926850289   109.23278315   321.09781668
 Q    248 175 173     1.534057281703   122.86413950   346.85281206
 Q    107  63  62     7.134510797450   118.46821702     1.75381124
 Q    251 107  63     2.843205853672   123.39612302   152.65988472
 Q    251 107  63     1.543340617763   116.72652240   123.70180458
 Q    216 215  52     7.156350703242   103.59179734   233.18401321
 Q    254 216 215     2.847473049462    25.88467581   136.06884639
 Q    254 216 215     1.573019657329    37.71713822    89.13741752
 Q    215  52  50     4.392180493425   130.84433109    80.90307352
 Q    257 215  52     3.006209214992    69.63514070   263.86182300
 Q    258 257 215     1.607933754707    22.82531335    36.01904073
 Q    225 224 135     4.268397335709   158.20104894   328.49302592
 Q    260 225 224     2.611038093664    83.35578601    33.05669033
 Q    260 225 224     1.529277730700    56.28879212    15.02248176
 Q    133 131 119     7.671194218741   102.66177162   155.84185498
 Q    263 133 131     2.686403725811    21.14117745   158.95124655
 Q    264 263 133     1.481839324342    30.05090105   122.92757190
 Q    230  60  59     4.369519227620    69.89709991    36.25250089
 Q    266 230  60     3.102605749998   139.41310880    55.62893009
 Q    267 266 230     1.663495765238    22.40244101   230.78291363
 Q    178 177 176     3.647318305418   100.08876118   115.37146026
 Q    269 178 177     2.788674944896   130.06826414    77.44699313
 Q    270 269 178     1.534871815153    26.35644226   185.88537516
 Q    246 245 105     6.376474754669   160.07562988    51.30324777
 Q    272 246 245     2.812900356041    76.33835607   230.50011709
 Q    273 272 246     1.553028398733    27.49877525   183.60089682
 Q     37  35  18     3.360844857481    99.37782801   238.82539520
 Q    275  37  35     2.718973790920   116.55300361   176.10096227
 Q    275  37  35     1.512489388426   105.63783812   202.95296235
 Q    201 200  75     4.302147378838   116.92103986    88.15885941
 Q    278 201 200     2.883551182635    66.65831101   277.86739444
 Q    279 278 201     1.571656948736    25.77645122   306.77129244
 Q    189 188 190     8.761219542539   150.13370856   344.62806518
 Q    281 189 188     3.158048439215    98.18596305    63.14191012
 Q    281 189 188     1.659842323968   108.95993808    82.08206283
 Q    117 116  96     4.148239415316   165.93230118   317.84456499
 Q    284 117 118     2.905081339056    85.86555393   169.89091625
 Q    284 117 118     1.565852206856    65.66257422   184.34829444
 Q    129 128  77     7.868457461187   127.81530738   212.24800815
 Q    287 129 128     2.692047367594    66.29903238   219.16344024
 Q    288 287 129     1.509535189370    28.26289026   223.24915354
 Q    141 140  88     3.878176617435   151.02501348   152.60589264
 Q    290 141 140     2.898435799881    89.08255889    93.61344786
 Q    290 141 140     1.591189802195    65.51469357   102.67127945
 Q    119 113  33     4.185732722253    44.89735519     6.12623277
 Q    293 119 113     2.839686877656   142.74527610   206.06264246
 Q    294 293 119     1.579928586360    26.54591239   310.69730351
 Q    258 257 215     5.892855752818    86.42879257   191.77981176
 Q    296 258 257     2.847222214978    99.18165753   302.63859256
 Q    297 296 258     1.564825605408    25.82894168   205.01179737
 Q    274 273 272     6.398697520074   123.99029872   229.94603753
 Q    299 274 273     2.922362334759    12.27138881   332.87080505
 Q    299 274 273     1.583315361064    32.29313908    13.81163018
 Q    240 239 186     4.300071713930   153.04264212   215.09454549
 Q    302 240 239     2.882126640815   104.88501381   275.94922401
 Q    302 240 239     1.579476467711   117.63570896   300.87028254
 Q     58  56  50     8.113265771591    85.16040866   293.28363974
 Q    305  58  56     2.900714226879    54.26564300   105.84162736
 Q    305  58  56     1.583991847042    76.75872506   118.84453981
 Q    303 302 240     4.519014440716   136.28402714   286.06139499
 Q    308 303 302     2.795262047887    75.14271633    18.99475297
 Q    308 303 302     1.553832987381    55.64575646    39.57279536
 Q    131 119 113     4.383390752126   108.24863972   233.96752281
 Q    311 131 119     3.002821802004    88.78276325    15.68571008
 Q    311 131 119     1.630977073759    72.96178130    33.98500898
 Q    110  47  32     7.128076034386    41.38947589   167.62801355
 Q    314 110  47     2.843708209054    96.80724208   181.75289558
 Q    315 314 110     1.546692067134    25.60558200    11.87223376
 Q    174 173 104     3.449772565912   144.56162176   277.42807996
 Q    317 174 173     2.799921193507    79.74581187   154.46292089
 Q    318 317 174     1.536615790054    26.17984021   304.57769844
 Q    119 113  33     4.940432290801    43.99909103   139.41729837
 Q    320 119 113     3.050254479455    56.29174295   227.88826087
 Q    320 119 113     1.624944724718    38.87681364   243.99290365
 Q    228 227 152     4.543956417167   123.75323345   238.54941152
 Q    323 228 227     2.946639968436    68.95203453   124.60029843
 Q    324 323 228     1.615246107443    24.71730018    38.83987253
 Q    312 311 131     4.989378032140   129.55785559   109.27043788
 Q    326 312 311     2.683876847319    90.41866418   248.23720003
 Q    326 312 311     1.485810316699    98.45977409   221.47627964
 Q    102 101  20     4.298825833917   146.07879711   184.33739993
 Q    329 102 101     3.083150588942    65.92383253   145.05341699
 Q    329 102 101     1.647533429408    49.19324185   162.24489440
 Q    253 251 107     4.094605282193   104.16670676   275.23046914
 Q    332 253 251     2.855800751114   134.47271037   310.61777139
 Q    332 253 251     1.570293057577   144.91743802   274.75031875
 Q    110  47  32     4.381312823233    46.13413162    96.14087346
 Q    335 110  47     2.900652671302   142.10304430    22.22870002
 Q    336 335 110     1.596455132929    25.23425400   257.03994426
 Q    294 293 119     3.738888940013   138.82532939    72.24561060
 Q    338 294 293     2.929502188853    95.85337607   179.40975329
 Q    338 294 293     1.562656120874    84.75721794   156.99408708
 Q    251 107  63     4.223611891233    56.21994077   330.42536020
 Q    341 251 107     2.815628525200    77.63694331   246.31660714
 Q    341 251 107     1.554292565323    64.93133517   222.95606308
 Q    305  58  56     3.976605263095    91.87750725   278.77588216
 Q    344 305  58     2.936442271511    90.03854865    84.66691782
 Q    344 305  58     1.606378370348    68.75104360    96.97149248
 Q     40  38  30     4.749983673625   152.33738751   166.47644526
 Q    347  40  38     2.899174945371    67.45392217   135.14172630
 Q    348 347  40     1.565167880708    24.81058117    42.04481208
 Q    116  96  95     5.208655677207    92.90345434   136.24033329
 Q    350 116  96     3.018183121432    72.85690266   182.93512933
 Q    350 116  96     1.637859555564    77.13272977   159.29373215
 Q    160 159 158     4.294753440503   111.17074836   144.32048851
 Q    353 160 159     2.976483632445   163.20023189   264.95881304
 Q    354 353 160     1.604042465932    22.01336758   263.06394873
 Q    210 209  98     4.381964828568   155.96732333   325.65993486
 Q    356 210 209     2.879399466609    90.83840837    38.83929336
 Q    357 356 210     1.567106028661    26.88567014   319.60544419
 Q    248 175 173     4.974647965616   125.82404375   214.57290450
 Q    359 248 175     2.948336155392    86.26707115   294.17723418
 Q    359 248 175     1.598802122736    79.80531226   268.35821948
 Q    130 129 128     3.794210560190    87.65622520   220.45228305
 Q    362 130 129     3.224904990127   169.59730488   306.95738021
 Q    362 130 129     1.697601055316   164.09154768    39.14541951
 Q     56  50  31     4.298825833917    73.56861640    68.63788518
 Q    365  56  50     2.707918866222   172.97435484   189.85413059
 Q    365  56  50     1.524014627797   154.69785863    85.14303499
 Q    166 165 164     3.830741029387   119.77730478   200.26349030
 Q    368 166 165     2.944397079810   147.31292363   278.95371908
 Q    368 166 165     1.596007695944   168.82446412   243.12122040
 Q    219 218 191     5.971773784240   108.64152464    97.68093737
 Q    371 219 218     2.834652191053    66.95246989   301.95448166
 Q    372 371 219     1.558995428008    26.62275348   130.69667419
 Q    109 107  63     4.239140549057    90.65909713   224.96427113
 Q    374 109 107     2.845591251889   116.25705555     3.34478937
 Q    374 109 107     1.552453437254   140.07584268   351.96266593
 Q    301 299 274     3.848737071347   126.50742826   210.18778968
 Q    377 301 299     2.874682799086   141.98737213   327.08400330
 Q    377 301 299     1.593096292404   168.02419442   308.46110957
 Q    135 134  67     4.658586961850    91.59447759    80.55313790
 Q    380 135 134     3.004486271595    91.51609138    86.59689151
 Q    380 135 134     1.576308006210    77.77885466   103.95046917
 Q    287 129 128     4.000956803932    60.87378573    86.90018447
 Q    383 287 129     2.733317543969    88.51054151   279.64993940
 Q    384 383 287     1.520495771503    26.52456416   285.31882662
 Q    189 188 190     4.053847972590   112.18823397   259.32023879
 Q    386 189 188     3.015342143632    86.63865694   100.76200297
 Q    387 386 189     1.628018531836    22.90269993   100.62493058
 Q    290 141 140     7.149211350406    84.02866806     2.45397340
 Q    389 290 141     2.776611591292   124.92634510   244.84485409
 Q    389 290 141     1.564369121850    99.20699859   257.95087099
 Q    173 104  69     6.807474473262    76.18444729    59.00083017
 Q    392 173 104     2.915511222612    98.48649851    70.79312378
 Q    393 392 173     1.609709496557    25.51881283   117.24041893
 Q     62  14  13     7.317560328971   147.77743965   119.61646033
 Q    395  62  14     3.039229568500   131.50564296   221.65876575
 Q    396 395  62     1.639058295211    23.00659622    42.98896180
 Q    236 149  93     4.057282057091    79.57794983   326.13030530
 Q    398 236 149     2.589269621044   105.64830959   117.59192207
 Q    398 236 149     1.516144601010    96.37946398   148.32603931
 Q    340 338 294     3.618665187555   113.18813980   247.86011575
 Q    401 340 338     2.856300891355   140.91982898   101.69924291
 Q    401 340 338     1.575401561048   165.78196729   114.43040787
 Q    367 365  56     3.973775498169    93.73253773    61.46917415
 Q    404 367 365     2.901945064218   104.61499757   333.27998729
 Q    404 367 365     1.583540888500   127.73360209   327.28334735
 Q     93  92  26     5.254831970617   169.02820562   240.44952748
 Q    407  93  92     3.052127093846    54.34567314   148.68878257
 Q    407  93  92     1.648941716780    33.09392133   133.87468108
 Q    232 231 230     3.637366932872   116.99058347   149.43467851
 Q    410 232 231     2.855800751114   147.35451818    85.14697005
 Q    411 410 232     1.547846056750    25.03798152   185.16943149
 Q    307 305  58     3.504767011251   124.96972161   121.72515914
 Q    413 307 305     3.050430085889   153.53636628   343.05031799
 Q    414 413 307     1.638731453180    22.67708913   152.76229615
 Q    133 131 119     3.965859423668    98.36766570   237.48537789
 Q    416 133 131     2.922728905413   128.28182283    10.16522673
 Q    416 133 131     1.605711315836   149.00465843    31.72431202
 Q    118 116  96     3.458456974749   117.43897898   113.81554342
 Q    419 118 116     3.030698917668   141.28235781     7.56089685
 Q    420 419 118     1.626152984727    22.83760950   181.70709698
 Q    160 159 158     3.436237180935    98.95605670   210.86584659
 Q    422 160 159     2.780467284121   143.83578498   304.31272021
 Q    423 422 160     1.537661225569    28.19296277   160.90942268
 Q     84  83  20     4.001492299725   163.72042872    99.24280304
 Q    425  84  83     2.902683316102    73.38006456    94.77543856
 Q    425  84  83     1.552913423467    71.40408636   121.74928258
 Q    291 290 141     4.331926677502   142.57183544   240.62308855
 Q    428 291 290     2.900283310405    73.10435940   310.35513568
 Q    428 291 290     1.585906990262    56.27538660   290.52981417
 Q    204 203  91     4.743814861057   163.81748995   295.30649291
 Q    431 204 203     3.038994561380    65.64373932   259.81802325
 Q    431 204 203     1.619000187813    42.00281657   261.89096938
 Q    100  98  21     4.785971608030   141.93774021   222.62554988
 Q    434 100  98     2.884975021046    53.06488898   163.05456305
 Q    435 434 100     1.602260443478    26.11315545   284.48461355
 Q    231 230  60     5.194547448806    95.60675871   205.03896568
 Q    437 231 230     2.821836357332    49.23867314    76.96742147
 Q    437 231 230     1.540445584980    74.87694227    81.26774876
 Q    431 204 203     4.454626047252   160.88303631   305.05847951
 Q    440 431 204     2.916001121581   117.82716991   256.64252300
 Q    440 431 204     1.600476436864    96.55757459   243.34811256
 Q    337 336 335     3.449099646603    93.21961829   260.23126969
 Q    443 337 336     3.062814111883   171.40691912   213.17857535
 Q    443 337 336     1.654023213315   163.94201125    67.08634883
 Q    272 246 245     4.609460023833    82.23811139    56.13073788
 Q    446 272 246     2.844210475709    72.44380370   303.18368207
 Q    447 446 272     1.562541854038    25.26039979     5.78775727
 Q    379 377 378     3.925038970228   101.62708666   249.84038411
 Q    449 379 377     2.924377904728   169.32270730   252.44195717
 Q    450 449 379     1.581961521260    25.63156746   173.72384124
 Q     53  18  17     3.686516179588   146.02750874   321.43713174
 Q    452  53  18     3.025096827107   126.12498969    53.24431869
 Q    452  53  18     1.629224512260   147.14054009    62.53551747
 Q    258 257 215     4.656056641949   118.85384623   242.21979889
 Q    455 258 257     3.009177490380    92.32403994   355.37648693
 Q    455 258 257     1.610596633299    87.13940053   334.41563765
 Q    216 215  52     4.565908403959   156.95155759   174.28802953
 Q    458 216 215     2.893256494194    56.84230142   181.76961123
 Q    459 458 216     1.572338450661    26.02804285   306.40845138
 Q    329 102 101     4.756332189393   120.28672762     2.00798093
 Q    461 329 102     2.864540598093    65.71900285   155.22457291
 Q    461 329 102     1.546576620814    42.14126990   148.69325806
 Q    407  93  92     4.454626047252    90.66081776    40.60129976
 Q    464 407  93     2.702044061220    96.29539304   191.92287491
 Q    465 464 407     1.496228779800    26.02806917   133.92211887
 Q    408 407  93     3.828642976611    75.63943435    75.37289853
 Q    467 408 407     2.978042911520   116.14280329   314.15926421
 Q    467 408 407     1.624944724718   135.09838067   295.48324847
 Q    242  54  53     4.635995455917   108.82030276    87.84099923
 Q    470 242  54     2.791810553406   113.55673003   343.09963080
 Q    471 470 242     1.576647788791    28.39576311    57.05113814
 Q    188 173 104     4.250203712824    41.06543997    72.75547963
 Q    473 188 173     2.840944155181    96.19027332   169.50016711
 Q    473 188 173     1.578571841939   118.14050508   187.98338443
 Q     48  47  32     3.861150292677    78.08048611   282.81328244
 Q    476  48  47     2.952088529725   112.59553565   214.01161028
 Q    477 476  48     1.585231321557    23.95332615   226.67135220
 Q    334 332 253     3.563574575199   121.93176677   237.38040535
 Q    479 334 332     2.798198851891   140.25449775   291.94215554
 Q    480 479 334     1.543803319203    25.73499781   166.07969104
 Q    316 315 314     4.110795060545   103.46227930   258.16219880
 Q    482 316 315     2.912692704494   114.42430745   209.18571648
 Q    482 316 315     1.595672035869   138.04480032   196.89784883
 Q    419 118 116     4.380619961234    76.67893779   249.16391351
 Q    485 419 118     2.991801142232   133.27041648   198.07000851
 Q    485 419 118     1.599360422199   121.17151928   171.94817788
 Q    336 335 110     3.775197989662   149.16466965    67.63670751
 Q    488 336 335     2.915939888711    90.59292601   257.71731109
 Q    489 488 336     1.601034152474    24.42689582    88.06332229
 Q    143  72  71     4.015390124064   127.46735814   335.16035844
 Q    491 143  72     2.867780043065    92.20203903   287.68589206
 Q    491 143  72     1.534057281703    70.20703749   276.68741200
 Q    360 359 248     4.856779986198   161.49406644    63.30461736
 Q    494 360 359     2.954325579099    66.04626543    42.62169338
 Q    494 360 359     1.617124236994    41.39825711    44.91026669
 Q    217 216 215     3.686661479146   109.44848458   101.95642006
 Q    497 217 216     3.032230317472   174.54352001   192.59916753
 Q    497 217 216     1.630867593841   153.77862338   119.94405860
 Q    154 152  81     3.968019919258   110.53436917    70.42252137
 Q    500 154 152     2.776611591292   141.94227053   157.77900610
 Q    500 154 152     1.559796938692   166.30398664   119.63387314
 Q    192 191 144     5.584964022879   102.67096876    91.66966858
 Q    503 192 191     2.896032274177   101.75718592   265.49846884
 Q    503 192 191     1.596007695944   113.67263354   241.37796087
 Q    211 210 209     3.856291664488   100.35848402   127.67757487
 Q    506 211 210     2.947367025230   162.14023487   162.67858408
 Q    506 211 210     1.572679090878   166.62082599   263.83602706
 Q    446 272 246     4.249615524927    64.97690531    46.37207479
 Q    509 446 272     2.901329710819   128.42566335   157.84992133
 Q    509 446 272     1.586244716688   135.63140568   126.79738986
 Q    391 389 290     3.660024386179    92.67396931   331.63680024
 Q    512 391 389     2.955896546897   142.65283843   315.04896338
 Q    512 391 389     1.588381983169   166.41431821   315.60098298
 Q    247 245 105     3.873201050232   115.14064231    38.40907746
 Q    515 247 245     2.997346322644   150.46866463   108.26273620
 Q    515 247 245     1.616240683186   171.44917648   137.23408605
 Q    202 200  75     3.872509493627   119.32003632   273.72500841
 Q    518 202 200     3.099899745971   156.06929137   137.08894159
 Q    519 518 202     1.648616834161    20.08097021   189.52216149
 Q    186 185 140     5.729766809844   111.33049215   155.47679217
 Q    521 186 185     3.046447187764    81.16320008   292.73296659
 Q    522 521 186     1.651862784998    24.15547940   254.03391348
 Q    196 195 194     3.710894813634    83.76506328   238.18129075
 Q    524 196 195     2.905695897955   157.72775913    48.08108216
 Q    525 524 196     1.563569954941    25.36439720   241.83101482
 Q    454 452  53     3.958062852734    84.81793365   180.29358839
 Q    527 454 452     2.961328077014   156.40740089   106.39794055
 Q    527 454 452     1.563113104689   172.65705984    27.49850037
 Q    108 107  63     3.543324687225   143.54276125   205.68318664
 Q    530 108 107     2.963076115763    74.75459008   215.07622804
 Q    530 108 107     1.567561715215    73.90118878   239.61909340
 Q    167 107  63     4.215148409076    60.02841505   127.50158918
 Q    533 167 107     2.768368165305    93.88327022    53.57473420
 Q    533 167 107     1.553947894609    80.41237692    28.63452548
 Q    173 104  69     4.466514731559   130.90795933   333.11536824
 Q    536 173 104     2.940088366543    59.01199216   339.54978694
 Q    536 173 104     1.615909225955    51.60731859     9.18073120
 Q    247 245 105     4.196553761078    94.49477129   142.52678337
 Q    539 247 245     2.868900537166   165.47186353   145.79654146
 Q    539 247 245     1.583428128797   166.93424708     7.65533880
 Q    398 236 149     4.290094543045    91.11560888   304.08654778
 Q    542 398 236     2.962051528509    81.90798514   153.03388752
 Q    543 542 398     1.605488902743    25.24507861    40.22966628
 Q    301 299 274     4.446361353367   121.73026805    96.54198986
 Q    545 301 299     2.984810314875   121.14591957   117.20529587
 Q    546 545 301     1.578119334594    23.69978562   212.51546092
 Q    237 236 238     5.171155373205   110.33992998   181.61606071
 Q    548 237 236     2.858487976006    72.13402341   109.99683874
 Q    549 548 237     1.568586525947    24.37163517   352.68768104
 Q    278 201 200     4.561330737238    98.80232898    59.32022504
 Q    551 278 201     2.739125275235    78.48039652   243.35580602
 Q    552 551 278     1.516262364387    27.54419039   315.37981234
 Q    275  37  35     4.048162132149   141.83157566    60.40958916
 Q    554 275  37     2.780724140221    53.83660766    18.59837850
 Q    555 554 275     1.556244257462    27.38684448   255.83182188
 Q    140  88  86     4.251085842078    94.70551630   307.00062731
 Q    557 140  88     2.802024839984   120.52700531   224.17037864
 Q    557 140  88     1.566764176769   144.92437704   207.07783778
 Q    198 197 132     4.304802769507   128.23597170   130.25319202
 Q    560 198 197     2.750768862418    88.90618694   275.70826845
 Q    561 560 198     1.500518708648    28.24674085   321.17620512
 Q    397 396 395     3.801826538101    93.65040949   205.27483336
 Q    563 397 396     2.933035160153   160.87384575   307.96228478
 Q    564 563 397     1.611704867541    24.61026417   209.84387522
 Q    242  54  53     5.163276829203    61.46074860   167.32339923
 Q    566 242  54     2.836415347909    46.64797590   280.94801714
 Q    566 242  54     1.552453437254    31.71275889   315.79601622
 Q    279 278 201     4.541794696415   126.90826837    86.56787905
 Q    569 279 278     2.907477384175   107.07878017   265.33523225
 Q    570 569 279     1.589730355214    23.98054144   314.52984254
 Q    209  98  21     4.295626421248    94.13114020    61.39401135
 Q    572 209  98     2.750249530963   124.54152718    30.23987976
 Q    572 209  98     1.527291579022   140.93295996    60.95032984
 Q     83  20   3     4.062955134812    87.18035034    38.61834526
 Q    575  83  20     2.776482975984   127.78789556   229.76802012
 Q    575  83  20     1.531844221947   148.09835200   205.02886345
 Q     83  20   3     3.580220693321   132.35570406   283.70863356
 Q    578  83  20     2.746091343610   143.78350239    58.57962381
 Q    578  83  20     1.512961524972   169.32709587    29.61386521
 Q    219 218 191     4.496912951809   111.09042423   176.98547472
 Q    581 219 218     2.871451141511    76.86992992   128.78402133
 Q    581 219 218     1.589618034561    50.63595345   129.74237607
 Q    187 185 140     3.683221185499   117.38335525   279.98832646
 Q    584 187 185     2.818290699047   121.35675175     3.16214327
 Q    584 187 185     1.546692067134   147.54439843     1.80682018
 Q    463 461 329     3.754472576370    98.55917402   282.31316675
 Q    587 463 461     2.874993343956   130.31441854   195.63279899
 Q    587 463 461     1.569041782531   153.40614392   211.43420656
 Q    323 228 227     4.731641791278   124.02132225    25.38104417
 Q    590 323 228     2.950394500016    66.71737668   344.43305161
 Q    591 590 323     1.582187241675    24.67869205   308.67613151
 Q    159 158 102     3.976290944218    89.86931113   283.99565977
 Q    593 159 158     2.893811863196   143.42900340   170.30776728
 Q    594 593 159     1.580606521849    24.29626566   140.99254333
 Q    570 569 279     4.141691690710   147.93349147   135.97096745
 Q    596 570 569     2.915694944371    76.10619486   199.66768583
 Q    597 596 570     1.597014252875    24.19331687    69.23073618
 Q    208 207 206     3.753188304840   105.38748169   157.54076122
 Q    599 208 207     3.061472984491   170.82041348    39.21587487
 Q    599 208 207     1.649807757657   164.15933079   255.66505584
 Q    307 305  58     4.078482576104   106.51315377   219.59289717
 Q    602 307 305     3.112660610312   108.72108500    30.28784434
 Q    603 602 307     1.659304374732    21.02680895   175.66539597
 Q    569 279 278     4.241793288608    90.00000000    24.25412733
 Q    605 569 279     3.265947585922    66.01424394   117.99885840
 Q    606 605 569     1.750930947628    21.59784063   300.07344102
 Q    470 242  54     3.941426944560   120.08923304   162.75637834
 Q    608 470 242     2.705544076991    77.75770660    88.09933227
 Q    609 608 470     1.500161683134    28.56694137   293.06634044
 Q    520 519 518     3.888705602298    96.41555753   205.76451251
 Q    611 520 519     2.930294432103   168.90507046    66.86654998
 Q    612 611 520     1.607933754707    26.36249459   151.38039854
 Q    382 380 135     3.741753184661   119.53140317    63.68979586
 Q    614 382 380     2.724222273347   138.81163115   225.41625143
 Q    615 614 382     1.552568446584    29.55325541   202.50578188

---------------------
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

-------------------------
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

-------------------------------------
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 final019.orca.SHARKINP.tmp ... ok
----------------------
SHARK INTEGRAL PACKAGE
----------------------

Number of atoms                             ...    616
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 (  3.2 sec)
Shell pair information
Total number of shell pairs                 ...    614386
Shell pairs after pre-screening             ...    238688
Total number of primitive shell pairs       ...    864264
Primitive shell pairs kept                  ...    283048
          la=0 lb=0:  63257 shell pairs
          la=1 lb=0:  68763 shell pairs
          la=1 lb=1:  18775 shell pairs
          la=2 lb=0:  35479 shell pairs
          la=2 lb=1:  20161 shell pairs
          la=2 lb=2:   5264 shell pairs
          la=3 lb=0:  13876 shell pairs
          la=3 lb=1:   8112 shell pairs
          la=3 lb=2:   4137 shell pairs
          la=3 lb=3:    864 shell pairs

Calculating one electron integrals          ... done (  1.2 sec)
Calculating RI/J V-Matrix + Cholesky decomp.... done (  0.6 sec)
Calculating Nuclear repulsion               ... done (  0.0 sec) ENN=   5091.147748387411 Eh

SHARK setup successfully completed in   8.5 seconds

Maximum memory used throughout the entire GTOINT-calculation: 338.2 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         .... final019.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            ....   5091.1477483874 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                        ... 2.192e-06
Time for diagonalization                   ...    1.018 sec
Threshold for overlap eigenvalues          ... 1.000e-08
Number of eigenvalues below threshold      ... 0
Time for construction of square roots      ...    1.125 sec
Total time needed                          ...    2.179 sec

Time for model grid setup =    2.019 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 (   2.3 sec)
Reading the grid                                   ... done
Mapping shells                                     ... done
Starting the XC term evaluation                    ... done (   0.7 sec)
  promolecular density results
     # of electrons  =    339.962515201
     EX              =   -294.728550638
     EC              =    -11.582780682
     EX+EC           =   -306.311331321
Transforming the Hamiltonian                       ... done (   0.5 sec)
Diagonalizing the Hamiltonian                      ... done (   1.1 sec)
Back transforming the eigenvectors                 ... done (   0.2 sec)
Now organizing SCF variables                       ... done
                      ------------------
                      INITIAL GUESS DONE (   7.2 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                  ...   439430
Total number of batches                      ...     7044
Average number of points per batch           ...       62
Average number of grid points per atom       ...      713
Time for grid setup =    6.844 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                  ...    55974
Total number of batches                      ...     1092
Average number of points per batch           ...       51
Average number of grid points per atom       ...       91
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                  ...   122075
Total number of batches                      ...     2081
Average number of points per batch           ...       58
Average number of grid points per atom       ...      198
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                  ...   260800
Total number of batches                      ...     4248
Average number of points per batch           ...       61
Average number of grid points per atom       ...      423
UseSFitting                                  ... on

Time for X-Grid setup             =   12.620 sec

 re-compute Schwartz prescreening matrix in partically contracted basis (1) ...done (   0.202 sec)
--------------
SCF ITERATIONS
--------------
ITER       Energy         Delta-E        Max-DP      RMS-DP      [F,P]     Damp
               ***  Starting incremental Fock matrix formation  ***
  0  -2688.5876584664   0.000000000000 1.30620301  0.00149131  0.3936474 0.7000
  1  -2690.1468272668  -1.559168800385 0.98282860  0.00107822  0.1558576 0.7000
                               ***Turning on DIIS***
  2  -2690.6401854482  -0.493358181346 0.34501651  0.00073224  0.0358824 0.0000
  3  -2691.5357199416  -0.895534493489 0.95648374  0.00096481  0.0894258 0.0000
  4  -2691.7032322281  -0.167512286453 0.22191741  0.00022937  0.0173361 0.0000
  5  -2691.7087634927  -0.005531264605 0.05214178  0.00005855  0.0043910 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  -2691.70911395  -0.0003504598  0.000193  0.000193  0.008230  0.000014
               *** Restarting incremental Fock matrix formation ***
  7  -2691.70915402  -0.0000400723  0.000094  0.000243  0.020046  0.000044
  8  -2691.70915454  -0.0000005177  0.000124  0.000103  0.005688  0.000009
  9  -2691.70916296  -0.0000084216  0.000020  0.000042  0.011612  0.000013
 10  -2691.70916301  -0.0000000484  0.000016  0.000011  0.003459  0.000003
 11  -2691.70916314  -0.0000001302  0.000003  0.000010  0.004072  0.000005
 12  -2691.70916318  -0.0000000366  0.000003  0.000002  0.005060  0.000004
                  ***Gradient check signals convergence***
              ***Rediagonalizing the Fockian in SOSCF/NRSCF***

               *****************************************************
               *                     SUCCESS                       *
               *           SCF CONVERGED AFTER  13 CYCLES          *
               *****************************************************

Old exchange energy                            =    -59.904393719 Eh
New exchange energy                            =    -59.904158352 Eh
Exchange energy change after final integration =      0.000235367 Eh
Total energy after final integration           =  -2691.708927717 Eh
Final COS-X integration done in                =    78.966 sec

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

Total Energy       :        -2691.70892772 Eh          -73245.12363 eV

Components:
Nuclear Repulsion  :         5091.14774839 Eh          138537.17333 eV
Electronic Energy  :        -7782.85667610 Eh         -211782.29696 eV
One Electron Energy:       -13963.75781290 Eh         -379973.16755 eV
Two Electron Energy:         6180.90113680 Eh          168190.87059 eV
Max COSX asymmetry :            0.00002761 Eh               0.00075 eV

Virial components:
Potential Energy   :        -5203.02906957 Eh         -141581.61885 eV
Kinetic Energy     :         2511.32014185 Eh           68336.49522 eV
Virial Ratio       :            2.07183026


DFT components:
N(Alpha)           :      170.000152484421 electrons
N(Beta)            :      170.000152484421 electrons
N(Total)           :      340.000304968843 electrons
E(X)               :     -238.600258238565 Eh       
E(C)               :      -13.759577376031 Eh       
E(XC)              :     -252.359835614596 Eh       
DFET-embed. en.    :        0.000000000000 Eh       

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

  Last Energy change         ...    9.5832e-08  Tolerance :   1.0000e-08
  Last MAX-Density change    ...    3.9968e-15  Tolerance :   1.0000e-07
  Last RMS-Density change    ...    8.7577e-18  Tolerance :   5.0000e-09
  Last Orbital Gradient      ...    9.6827e-07  Tolerance :   1.0000e-05
  Last Orbital Rotation      ...    2.4303e-06  Tolerance :   1.0000e-05

             **** THE GBW FILE WAS UPDATED (final019.orca.gbw) ****
             **** DENSITY final019.orca.scfp WAS UPDATED ****
             **** ENERGY FILE WAS UPDATED (final019.orca.en.tmp) ****
             **** THE GBW FILE WAS UPDATED (final019.orca.gbw) ****
             **** DENSITY final019.orca.scfp WAS UPDATED ****
----------------
ORBITAL ENERGIES
----------------

  NO   OCC          E(Eh)            E(eV) 
   0   2.0000     -19.188240      -522.1385 
   1   2.0000     -19.172247      -521.7034 
   2   2.0000     -19.171238      -521.6759 
   3   2.0000     -19.163918      -521.4767 
   4   2.0000     -19.159797      -521.3646 
   5   2.0000     -19.155975      -521.2606 
   6   2.0000     -19.152363      -521.1623 
   7   2.0000     -19.151672      -521.1435 
   8   2.0000     -19.149732      -521.0907 
   9   2.0000     -19.149027      -521.0715 
  10   2.0000     -19.148065      -521.0453 
  11   2.0000     -19.145861      -520.9854 
  12   2.0000     -19.145284      -520.9697 
  13   2.0000     -19.143640      -520.9249 
  14   2.0000     -19.140007      -520.8261 
  15   2.0000     -19.139598      -520.8149 
  16   2.0000     -19.136904      -520.7416 
  17   2.0000     -19.135609      -520.7064 
  18   2.0000     -19.131452      -520.5933 
  19   2.0000     -19.128646      -520.5169 
  20   2.0000     -19.125953      -520.4436 
  21   2.0000     -19.125910      -520.4425 
  22   2.0000     -19.124003      -520.3906 
  23   2.0000     -19.123781      -520.3845 
  24   2.0000     -19.120236      -520.2881 
  25   2.0000     -19.112087      -520.0663 
  26   2.0000     -19.111544      -520.0515 
  27   2.0000     -19.108596      -519.9713 
  28   2.0000     -19.106779      -519.9219 
  29   2.0000     -19.106470      -519.9135 
  30   2.0000     -19.092004      -519.5198 
  31   2.0000     -10.220735      -278.1203 
  32   2.0000     -10.212711      -277.9020 
  33   2.0000     -10.168623      -276.7023 
  34   2.0000     -10.159795      -276.4621 
  35   2.0000      -1.070322       -29.1249 
  36   2.0000      -1.060503       -28.8578 
  37   2.0000      -1.052961       -28.6525 
  38   2.0000      -1.049552       -28.5598 
  39   2.0000      -1.047236       -28.4967 
  40   2.0000      -1.046449       -28.4753 
  41   2.0000      -1.039934       -28.2980 
  42   2.0000      -1.036302       -28.1992 
  43   2.0000      -1.029784       -28.0218 
  44   2.0000      -1.027692       -27.9649 
  45   2.0000      -1.027613       -27.9628 
  46   2.0000      -1.025532       -27.9061 
  47   2.0000      -1.024672       -27.8828 
  48   2.0000      -1.024441       -27.8765 
  49   2.0000      -1.024266       -27.8717 
  50   2.0000      -1.018795       -27.7228 
  51   2.0000      -1.016867       -27.6704 
  52   2.0000      -1.012751       -27.5584 
  53   2.0000      -1.012433       -27.5497 
  54   2.0000      -1.007880       -27.4258 
  55   2.0000      -1.007295       -27.4099 
  56   2.0000      -1.004232       -27.3266 
  57   2.0000      -1.003879       -27.3169 
  58   2.0000      -0.999991       -27.2111 
  59   2.0000      -0.999496       -27.1977 
  60   2.0000      -0.993965       -27.0472 
  61   2.0000      -0.989627       -26.9291 
  62   2.0000      -0.988023       -26.8855 
  63   2.0000      -0.976363       -26.5682 
  64   2.0000      -0.975739       -26.5512 
  65   2.0000      -0.973664       -26.4947 
  66   2.0000      -0.801270       -21.8037 
  67   2.0000      -0.729825       -19.8595 
  68   2.0000      -0.639132       -17.3917 
  69   2.0000      -0.594038       -16.1646 
  70   2.0000      -0.586221       -15.9519 
  71   2.0000      -0.581726       -15.8296 
  72   2.0000      -0.573743       -15.6123 
  73   2.0000      -0.571928       -15.5629 
  74   2.0000      -0.566614       -15.4184 
  75   2.0000      -0.560523       -15.2526 
  76   2.0000      -0.559262       -15.2183 
  77   2.0000      -0.556917       -15.1545 
  78   2.0000      -0.551246       -15.0002 
  79   2.0000      -0.550640       -14.9837 
  80   2.0000      -0.549014       -14.9394 
  81   2.0000      -0.546379       -14.8677 
  82   2.0000      -0.545558       -14.8454 
  83   2.0000      -0.543985       -14.8026 
  84   2.0000      -0.542596       -14.7648 
  85   2.0000      -0.540906       -14.7188 
  86   2.0000      -0.538158       -14.6440 
  87   2.0000      -0.537344       -14.6219 
  88   2.0000      -0.534153       -14.5350 
  89   2.0000      -0.531516       -14.4633 
  90   2.0000      -0.530649       -14.4397 
  91   2.0000      -0.527495       -14.3539 
  92   2.0000      -0.523925       -14.2567 
  93   2.0000      -0.522916       -14.2293 
  94   2.0000      -0.520922       -14.1750 
  95   2.0000      -0.516143       -14.0450 
  96   2.0000      -0.510607       -13.8943 
  97   2.0000      -0.507481       -13.8093 
  98   2.0000      -0.506972       -13.7954 
  99   2.0000      -0.500481       -13.6188 
 100   2.0000      -0.490816       -13.3558 
 101   2.0000      -0.479152       -13.0384 
 102   2.0000      -0.466338       -12.6897 
 103   2.0000      -0.463631       -12.6160 
 104   2.0000      -0.444849       -12.1049 
 105   2.0000      -0.443382       -12.0651 
 106   2.0000      -0.441305       -12.0085 
 107   2.0000      -0.437528       -11.9058 
 108   2.0000      -0.432050       -11.7567 
 109   2.0000      -0.430287       -11.7087 
 110   2.0000      -0.429386       -11.6842 
 111   2.0000      -0.427132       -11.6229 
 112   2.0000      -0.423761       -11.5311 
 113   2.0000      -0.422391       -11.4938 
 114   2.0000      -0.420356       -11.4385 
 115   2.0000      -0.417138       -11.3509 
 116   2.0000      -0.414375       -11.2757 
 117   2.0000      -0.412334       -11.2202 
 118   2.0000      -0.405587       -11.0366 
 119   2.0000      -0.403698       -10.9852 
 120   2.0000      -0.400318       -10.8932 
 121   2.0000      -0.399438       -10.8693 
 122   2.0000      -0.398847       -10.8532 
 123   2.0000      -0.397847       -10.8260 
 124   2.0000      -0.397307       -10.8113 
 125   2.0000      -0.394535       -10.7358 
 126   2.0000      -0.389998       -10.6124 
 127   2.0000      -0.382541       -10.4095 
 128   2.0000      -0.378543       -10.3007 
 129   2.0000      -0.377386       -10.2692 
 130   2.0000      -0.377222       -10.2647 
 131   2.0000      -0.375295       -10.2123 
 132   2.0000      -0.371806       -10.1174 
 133   2.0000      -0.370893       -10.0925 
 134   2.0000      -0.368285       -10.0216 
 135   2.0000      -0.362900        -9.8750 
 136   2.0000      -0.362257        -9.8575 
 137   2.0000      -0.359639        -9.7863 
 138   2.0000      -0.356410        -9.6984 
 139   2.0000      -0.352976        -9.6050 
 140   2.0000      -0.350975        -9.5505 
 141   2.0000      -0.350329        -9.5329 
 142   2.0000      -0.345011        -9.3882 
 143   2.0000      -0.342215        -9.3121 
 144   2.0000      -0.341282        -9.2867 
 145   2.0000      -0.339389        -9.2352 
 146   2.0000      -0.338757        -9.2181 
 147   2.0000      -0.338266        -9.2047 
 148   2.0000      -0.335170        -9.1204 
 149   2.0000      -0.334098        -9.0913 
 150   2.0000      -0.332856        -9.0575 
 151   2.0000      -0.331511        -9.0209 
 152   2.0000      -0.330637        -8.9971 
 153   2.0000      -0.328032        -8.9262 
 154   2.0000      -0.327666        -8.9163 
 155   2.0000      -0.326981        -8.8976 
 156   2.0000      -0.325441        -8.8557 
 157   2.0000      -0.322127        -8.7655 
 158   2.0000      -0.319736        -8.7005 
 159   2.0000      -0.311965        -8.4890 
 160   2.0000      -0.311710        -8.4821 
 161   2.0000      -0.310150        -8.4396 
 162   2.0000      -0.306770        -8.3476 
 163   2.0000      -0.306030        -8.3275 
 164   2.0000      -0.302069        -8.2197 
 165   2.0000      -0.300530        -8.1778 
 166   2.0000      -0.298535        -8.1235 
 167   2.0000      -0.294144        -8.0041 
 168   2.0000      -0.287318        -7.8183 
 169   2.0000      -0.282279        -7.6812 
 170   0.0000      -0.038482        -1.0472 
 171   0.0000      -0.028042        -0.7631 
 172   0.0000      -0.013106        -0.3566 
 173   0.0000      -0.010874        -0.2959 
 174   0.0000       0.000500         0.0136 
 175   0.0000       0.003649         0.0993 
 176   0.0000       0.007935         0.2159 
 177   0.0000       0.011002         0.2994 
 178   0.0000       0.016784         0.4567 
 179   0.0000       0.017278         0.4702 
 180   0.0000       0.028127         0.7654 
 181   0.0000       0.031712         0.8629 
 182   0.0000       0.035706         0.9716 
 183   0.0000       0.036752         1.0001 
 184   0.0000       0.041538         1.1303 
 185   0.0000       0.046663         1.2698 
 186   0.0000       0.048903         1.3307 
 187   0.0000       0.052052         1.4164 
 188   0.0000       0.052449         1.4272 
 189   0.0000       0.055097         1.4993 
 190   0.0000       0.058453         1.5906 
 191   0.0000       0.060467         1.6454 
 192   0.0000       0.063619         1.7312 
 193   0.0000       0.068479         1.8634 
 194   0.0000       0.069822         1.9000 
 195   0.0000       0.072763         1.9800 
 196   0.0000       0.076061         2.0697 
 197   0.0000       0.078382         2.1329 
 198   0.0000       0.080596         2.1931 
 199   0.0000       0.083778         2.2797 
 200   0.0000       0.084339         2.2950 
 201   0.0000       0.087950         2.3932 
 202   0.0000       0.088112         2.3977 
 203   0.0000       0.091889         2.5004 
 204   0.0000       0.092206         2.5091 
 205   0.0000       0.094650         2.5756 
 206   0.0000       0.097248         2.6463 
 207   0.0000       0.099748         2.7143 
 208   0.0000       0.099848         2.7170 
 209   0.0000       0.102513         2.7895 
 210   0.0000       0.104413         2.8412 
 211   0.0000       0.105901         2.8817 
 212   0.0000       0.106890         2.9086 
 213   0.0000       0.108973         2.9653 
 214   0.0000       0.110449         3.0055 
 215   0.0000       0.111588         3.0365 
 216   0.0000       0.113699         3.0939 
 217   0.0000       0.116045         3.1577 
 218   0.0000       0.118390         3.2215 
 219   0.0000       0.118750         3.2314 
 220   0.0000       0.121329         3.3015 
 221   0.0000       0.122893         3.3441 
 222   0.0000       0.123584         3.3629 
 223   0.0000       0.126320         3.4373 
 224   0.0000       0.129428         3.5219 
 225   0.0000       0.129804         3.5322 
 226   0.0000       0.131020         3.5652 
 227   0.0000       0.131931         3.5900 
 228   0.0000       0.133802         3.6409 
 229   0.0000       0.135029         3.6743 
 230   0.0000       0.136768         3.7217 
 231   0.0000       0.138900         3.7797 
 232   0.0000       0.140214         3.8154 
 233   0.0000       0.142382         3.8744 
 234   0.0000       0.143446         3.9034 
 235   0.0000       0.145038         3.9467 
 236   0.0000       0.146633         3.9901 
 237   0.0000       0.147738         4.0201 
 238   0.0000       0.148287         4.0351 
 239   0.0000       0.149946         4.0802 
 240   0.0000       0.151382         4.1193 
 241   0.0000       0.152420         4.1476 
 242   0.0000       0.154206         4.1962 
 243   0.0000       0.154589         4.2066 
 244   0.0000       0.157144         4.2761 
 245   0.0000       0.158289         4.3073 
 246   0.0000       0.159230         4.3329 
 247   0.0000       0.160746         4.3741 
 248   0.0000       0.163062         4.4371 
 249   0.0000       0.165487         4.5031 
 250   0.0000       0.166601         4.5335 
 251   0.0000       0.167147         4.5483 
 252   0.0000       0.168199         4.5769 
 253   0.0000       0.169128         4.6022 
 254   0.0000       0.169516         4.6128 
 255   0.0000       0.171608         4.6697 
 256   0.0000       0.173479         4.7206 
 257   0.0000       0.174906         4.7594 
 258   0.0000       0.175717         4.7815 
 259   0.0000       0.177089         4.8188 
 260   0.0000       0.179467         4.8835 
 261   0.0000       0.182351         4.9620 
 262   0.0000       0.183438         4.9916 
 263   0.0000       0.183578         4.9954 
 264   0.0000       0.184662         5.0249 
 265   0.0000       0.185351         5.0437 
 266   0.0000       0.187571         5.1041 
 267   0.0000       0.188936         5.1412 
 268   0.0000       0.189798         5.1647 
 269   0.0000       0.192765         5.2454 
 270   0.0000       0.194778         5.3002 
 271   0.0000       0.194906         5.3037 
 272   0.0000       0.197132         5.3642 
 273   0.0000       0.197609         5.3772 
 274   0.0000       0.198432         5.3996 
 275   0.0000       0.199522         5.4293 
 276   0.0000       0.202034         5.4976 
 277   0.0000       0.203638         5.5413 
 278   0.0000       0.204006         5.5513 
 279   0.0000       0.204817         5.5733 
 280   0.0000       0.206595         5.6217 
 281   0.0000       0.210243         5.7210 
 282   0.0000       0.210856         5.7377 
 283   0.0000       0.211269         5.7489 
 284   0.0000       0.212383         5.7792 
 285   0.0000       0.214520         5.8374 
 286   0.0000       0.216048         5.8790 
 287   0.0000       0.217431         5.9166 
 288   0.0000       0.220886         6.0106 
 289   0.0000       0.221511         6.0276 
 290   0.0000       0.222754         6.0614 
 291   0.0000       0.224442         6.1074 
 292   0.0000       0.225903         6.1471 
 293   0.0000       0.227630         6.1941 
 294   0.0000       0.228813         6.2263 
 295   0.0000       0.229600         6.2477 
 296   0.0000       0.232204         6.3186 
 297   0.0000       0.234158         6.3718 
 298   0.0000       0.236535         6.4365 
 299   0.0000       0.237583         6.4650 
 300   0.0000       0.238662         6.4943 
 301   0.0000       0.238791         6.4978 
 302   0.0000       0.241928         6.5832 
 303   0.0000       0.242257         6.5921 
 304   0.0000       0.242841         6.6080 
 305   0.0000       0.243335         6.6215 
 306   0.0000       0.244497         6.6531 
 307   0.0000       0.246292         6.7020 
 308   0.0000       0.249101         6.7784 
 309   0.0000       0.250123         6.8062 
 310   0.0000       0.252008         6.8575 
 311   0.0000       0.254706         6.9309 
 312   0.0000       0.255447         6.9511 
 313   0.0000       0.257604         7.0098 
 314   0.0000       0.257687         7.0120 
 315   0.0000       0.259185         7.0528 
 316   0.0000       0.261350         7.1117 
 317   0.0000       0.262134         7.1330 
 318   0.0000       0.264983         7.2105 
 319   0.0000       0.266306         7.2465 
 320   0.0000       0.269350         7.3294 
 321   0.0000       0.270359         7.3568 
 322   0.0000       0.271933         7.3997 
 323   0.0000       0.272730         7.4214 
 324   0.0000       0.274234         7.4623 
 325   0.0000       0.275172         7.4878 
 326   0.0000       0.278435         7.5766 
 327   0.0000       0.279813         7.6141 
 328   0.0000       0.282452         7.6859 
 329   0.0000       0.283710         7.7202 
 330   0.0000       0.286287         7.7903 
 331   0.0000       0.288196         7.8422 
 332   0.0000       0.290533         7.9058 
 333   0.0000       0.290861         7.9147 
 334   0.0000       0.294233         8.0065 
 335   0.0000       0.296248         8.0613 
 336   0.0000       0.296973         8.0810 
 337   0.0000       0.298084         8.1113 
 338   0.0000       0.302180         8.2227 
 339   0.0000       0.304153         8.2764 
 340   0.0000       0.305008         8.2997 
 341   0.0000       0.305800         8.3212 
 342   0.0000       0.310021         8.4361 
 343   0.0000       0.312441         8.5020 
 344   0.0000       0.314799         8.5661 
 345   0.0000       0.315697         8.5905 
 346   0.0000       0.317380         8.6363 
 347   0.0000       0.320289         8.7155 
 348   0.0000       0.322442         8.7741 
 349   0.0000       0.325290         8.8516 
 350   0.0000       0.325966         8.8700 
 351   0.0000       0.328564         8.9407 
 352   0.0000       0.329915         8.9774 
 353   0.0000       0.332517         9.0482 
 354   0.0000       0.334527         9.1029 
 355   0.0000       0.336323         9.1518 
 356   0.0000       0.338048         9.1987 
 357   0.0000       0.340591         9.2680 
 358   0.0000       0.344244         9.3674 
 359   0.0000       0.345202         9.3934 
 360   0.0000       0.351468         9.5639 
 361   0.0000       0.352884         9.6025 
 362   0.0000       0.354360         9.6426 
 363   0.0000       0.355168         9.6646 
 364   0.0000       0.357590         9.7305 
 365   0.0000       0.362193         9.8558 
 366   0.0000       0.367387         9.9971 
 367   0.0000       0.368439        10.0257 
 368   0.0000       0.370748        10.0886 
 369   0.0000       0.372395        10.1334 
 370   0.0000       0.373842        10.1727 
 371   0.0000       0.375887        10.2284 
 372   0.0000       0.378617        10.3027 
 373   0.0000       0.382820        10.4171 
 374   0.0000       0.385350        10.4859 
 375   0.0000       0.386288        10.5114 
 376   0.0000       0.389314        10.5938 
 377   0.0000       0.391585        10.6556 
 378   0.0000       0.393488        10.7073 
 379   0.0000       0.396433        10.7875 
 380   0.0000       0.399912        10.8822 
 381   0.0000       0.401943        10.9374 
 382   0.0000       0.406406        11.0589 
 383   0.0000       0.409826        11.1519 
 384   0.0000       0.410738        11.1767 
 385   0.0000       0.411489        11.1972 
 386   0.0000       0.412951        11.2370 
 387   0.0000       0.415981        11.3194 
 388   0.0000       0.420170        11.4334 
 389   0.0000       0.421173        11.4607 
 390   0.0000       0.424491        11.5510 
 391   0.0000       0.426240        11.5986 
 392   0.0000       0.427464        11.6319 
 393   0.0000       0.429929        11.6990 
 394   0.0000       0.432091        11.7578 
 395   0.0000       0.437666        11.9095 
 396   0.0000       0.438584        11.9345 
 397   0.0000       0.442491        12.0408 
 398   0.0000       0.446568        12.1517 
 399   0.0000       0.448032        12.1916 
 400   0.0000       0.449092        12.2204 
 401   0.0000       0.450214        12.2509 
 402   0.0000       0.451901        12.2968 
 403   0.0000       0.455860        12.4046 
 404   0.0000       0.457824        12.4580 
 405   0.0000       0.458619        12.4796 
 406   0.0000       0.460215        12.5231 
 407   0.0000       0.461700        12.5635 
 408   0.0000       0.462816        12.5939 
 409   0.0000       0.465051        12.6547 
 410   0.0000       0.466519        12.6946 
 411   0.0000       0.468383        12.7454 
 412   0.0000       0.470792        12.8109 
 413   0.0000       0.471621        12.8335 
 414   0.0000       0.475451        12.9377 
 415   0.0000       0.475835        12.9481 
 416   0.0000       0.476456        12.9650 
 417   0.0000       0.478772        13.0280 
 418   0.0000       0.481181        13.0936 
 419   0.0000       0.483237        13.1495 
 420   0.0000       0.484619        13.1871 
 421   0.0000       0.485721        13.2171 
 422   0.0000       0.488048        13.2805 
 423   0.0000       0.489001        13.3064 
 424   0.0000       0.491448        13.3730 
 425   0.0000       0.493681        13.4337 
 426   0.0000       0.494747        13.4628 
 427   0.0000       0.495226        13.4758 
 428   0.0000       0.497309        13.5325 
 429   0.0000       0.499672        13.5968 
 430   0.0000       0.501061        13.6346 
 431   0.0000       0.503866        13.7109 
 432   0.0000       0.505153        13.7459 
 433   0.0000       0.506350        13.7785 
 434   0.0000       0.507537        13.8108 
 435   0.0000       0.510329        13.8868 
 436   0.0000       0.513115        13.9626 
 437   0.0000       0.514356        13.9963 
 438   0.0000       0.518559        14.1107 
 439   0.0000       0.519136        14.1264 
 440   0.0000       0.520200        14.1554 
 441   0.0000       0.521872        14.2009 
 442   0.0000       0.522682        14.2229 
 443   0.0000       0.523724        14.2512 
 444   0.0000       0.525229        14.2922 
 445   0.0000       0.526585        14.3291 
 446   0.0000       0.528554        14.3827 
 447   0.0000       0.531871        14.4730 
 448   0.0000       0.533475        14.5166 
 449   0.0000       0.534695        14.5498 
 450   0.0000       0.536312        14.5938 
 451   0.0000       0.536351        14.5949 
 452   0.0000       0.537916        14.6375 
 453   0.0000       0.538478        14.6527 
 454   0.0000       0.541269        14.7287 
 455   0.0000       0.542615        14.7653 
 456   0.0000       0.544145        14.8069 
 457   0.0000       0.545210        14.8359 
 458   0.0000       0.546544        14.8722 
 459   0.0000       0.548781        14.9331 
 460   0.0000       0.551273        15.0009 
 461   0.0000       0.554582        15.0910 
 462   0.0000       0.557007        15.1569 
 463   0.0000       0.558064        15.1857 
 464   0.0000       0.559647        15.2288 
 465   0.0000       0.560369        15.2484 
 466   0.0000       0.562116        15.2960 
 467   0.0000       0.563824        15.3424 
 468   0.0000       0.565674        15.3928 
 469   0.0000       0.566944        15.4273 
 470   0.0000       0.568314        15.4646 
 471   0.0000       0.569805        15.5052 
 472   0.0000       0.570502        15.5241 
 473   0.0000       0.572898        15.5893 
 474   0.0000       0.573994        15.6192 
 475   0.0000       0.576659        15.6917 
 476   0.0000       0.577792        15.7225 
 477   0.0000       0.578938        15.7537 
 478   0.0000       0.580540        15.7973 
 479   0.0000       0.581519        15.8239 
 480   0.0000       0.584306        15.8998 
 481   0.0000       0.586673        15.9642 
 482   0.0000       0.588905        16.0249 
 483   0.0000       0.591770        16.1029 
 484   0.0000       0.592097        16.1118 
 485   0.0000       0.594246        16.1703 
 486   0.0000       0.596553        16.2330 
 487   0.0000       0.597581        16.2610 
 488   0.0000       0.599157        16.3039 
 489   0.0000       0.600583        16.3427 
 490   0.0000       0.601182        16.3590 
 491   0.0000       0.603884        16.4325 
 492   0.0000       0.605466        16.4756 
 493   0.0000       0.606529        16.5045 
 494   0.0000       0.607743        16.5375 
 495   0.0000       0.609190        16.5769 
 496   0.0000       0.612693        16.6722 
 497   0.0000       0.613473        16.6934 
 498   0.0000       0.618096        16.8192 
 499   0.0000       0.618965        16.8429 
 500   0.0000       0.620458        16.8835 
 501   0.0000       0.620822        16.8934 
 502   0.0000       0.624728        16.9997 
 503   0.0000       0.626151        17.0384 
 504   0.0000       0.627022        17.0621 
 505   0.0000       0.629411        17.1272 
 506   0.0000       0.630479        17.1562 
 507   0.0000       0.634243        17.2586 
 508   0.0000       0.634538        17.2667 
 509   0.0000       0.635672        17.2975 
 510   0.0000       0.639106        17.3909 
 511   0.0000       0.639876        17.4119 
 512   0.0000       0.641151        17.4466 
 513   0.0000       0.643222        17.5030 
 514   0.0000       0.645116        17.5545 
 515   0.0000       0.645701        17.5704 
 516   0.0000       0.647178        17.6106 
 517   0.0000       0.649404        17.6712 
 518   0.0000       0.651084        17.7169 
 519   0.0000       0.652406        17.7529 
 520   0.0000       0.653603        17.7855 
 521   0.0000       0.654362        17.8061 
 522   0.0000       0.656522        17.8649 
 523   0.0000       0.658958        17.9312 
 524   0.0000       0.660578        17.9752 
 525   0.0000       0.661376        17.9969 
 526   0.0000       0.662685        18.0326 
 527   0.0000       0.666529        18.1372 
 528   0.0000       0.667153        18.1542 
 529   0.0000       0.669142        18.2083 
 530   0.0000       0.670004        18.2317 
 531   0.0000       0.672982        18.3128 
 532   0.0000       0.674948        18.3663 
 533   0.0000       0.676311        18.4034 
 534   0.0000       0.678248        18.4561 
 535   0.0000       0.680636        18.5210 
 536   0.0000       0.681364        18.5408 
 537   0.0000       0.682223        18.5642 
 538   0.0000       0.683389        18.5960 
 539   0.0000       0.686373        18.6772 
 540   0.0000       0.688789        18.7429 
 541   0.0000       0.689606        18.7651 
 542   0.0000       0.692434        18.8421 
 543   0.0000       0.692941        18.8559 
 544   0.0000       0.694792        18.9062 
 545   0.0000       0.697848        18.9894 
 546   0.0000       0.699766        19.0416 
 547   0.0000       0.700653        19.0657 
 548   0.0000       0.701797        19.0969 
 549   0.0000       0.702843        19.1253 
 550   0.0000       0.706158        19.2155 
 551   0.0000       0.707883        19.2625 
 552   0.0000       0.708303        19.2739 
 553   0.0000       0.711390        19.3579 
 554   0.0000       0.714883        19.4529 
 555   0.0000       0.716061        19.4850 
 556   0.0000       0.717406        19.5216 
 557   0.0000       0.718338        19.5470 
 558   0.0000       0.719274        19.5724 
 559   0.0000       0.720859        19.6156 
 560   0.0000       0.723061        19.6755 
 561   0.0000       0.726290        19.7633 
 562   0.0000       0.729651        19.8548 
 563   0.0000       0.731066        19.8933 
 564   0.0000       0.731842        19.9144 
 565   0.0000       0.732965        19.9450 
 566   0.0000       0.734236        19.9796 
 567   0.0000       0.739671        20.1275 
 568   0.0000       0.742002        20.1909 
 569   0.0000       0.743612        20.2347 
 570   0.0000       0.745644        20.2900 
 571   0.0000       0.747769        20.3478 
 572   0.0000       0.748125        20.3575 
 573   0.0000       0.749311        20.3898 
 574   0.0000       0.751028        20.4365 
 575   0.0000       0.755057        20.5462 
 576   0.0000       0.756434        20.5836 
 577   0.0000       0.758083        20.6285 
 578   0.0000       0.758848        20.6493 
 579   0.0000       0.761986        20.7347 
 580   0.0000       0.762699        20.7541 
 581   0.0000       0.764386        20.8000 
 582   0.0000       0.768857        20.9217 
 583   0.0000       0.770192        20.9580 
 584   0.0000       0.771830        21.0026 
 585   0.0000       0.774323        21.0704 
 586   0.0000       0.775432        21.1006 
 587   0.0000       0.777936        21.1687 
 588   0.0000       0.781057        21.2536 
 589   0.0000       0.781403        21.2631 
 590   0.0000       0.784605        21.3502 
 591   0.0000       0.785272        21.3683 
 592   0.0000       0.787276        21.4229 
 593   0.0000       0.789506        21.4836 
 594   0.0000       0.794199        21.6112 
 595   0.0000       0.794970        21.6322 
 596   0.0000       0.797507        21.7013 
 597   0.0000       0.798995        21.7418 
 598   0.0000       0.799895        21.7663 
 599   0.0000       0.801888        21.8205 
 600   0.0000       0.803937        21.8762 
 601   0.0000       0.806325        21.9412 
 602   0.0000       0.806884        21.9564 
 603   0.0000       0.810802        22.0630 
 604   0.0000       0.810959        22.0673 
 605   0.0000       0.814762        22.1708 
 606   0.0000       0.816064        22.2062 
 607   0.0000       0.818234        22.2653 
 608   0.0000       0.819959        22.3122 
 609   0.0000       0.823588        22.4110 
 610   0.0000       0.825706        22.4686 
 611   0.0000       0.829093        22.5608 
 612   0.0000       0.830303        22.5937 
 613   0.0000       0.831104        22.6155 
 614   0.0000       0.834590        22.7103 
 615   0.0000       0.835031        22.7223 
 616   0.0000       0.836962        22.7749 
 617   0.0000       0.839555        22.8454 
 618   0.0000       0.840578        22.8733 
 619   0.0000       0.845018        22.9941 
 620   0.0000       0.845388        23.0042 
 621   0.0000       0.847034        23.0490 
 622   0.0000       0.849126        23.1059 
 623   0.0000       0.850202        23.1352 
 624   0.0000       0.851803        23.1787 
 625   0.0000       0.855419        23.2771 
 626   0.0000       0.855632        23.2829 
 627   0.0000       0.858965        23.3736 
 628   0.0000       0.860030        23.4026 
 629   0.0000       0.863278        23.4910 
 630   0.0000       0.865070        23.5397 
 631   0.0000       0.867502        23.6059 
 632   0.0000       0.869438        23.6586 
 633   0.0000       0.872006        23.7285 
 634   0.0000       0.874137        23.7865 
 635   0.0000       0.876036        23.8381 
 636   0.0000       0.877225        23.8705 
 637   0.0000       0.880168        23.9506 
 638   0.0000       0.880456        23.9584 
 639   0.0000       0.885865        24.1056 
 640   0.0000       0.886236        24.1157 
 641   0.0000       0.888772        24.1847 
 642   0.0000       0.891932        24.2707 
 643   0.0000       0.893898        24.3242 
 644   0.0000       0.895291        24.3621 
 645   0.0000       0.897173        24.4133 
 646   0.0000       0.898765        24.4566 
 647   0.0000       0.901146        24.5214 
 648   0.0000       0.902993        24.5717 
 649   0.0000       0.905025        24.6270 
 650   0.0000       0.908270        24.7153 
 651   0.0000       0.913154        24.8482 
 652   0.0000       0.914700        24.8902 
 653   0.0000       0.917440        24.9648 
 654   0.0000       0.918236        24.9865 
 655   0.0000       0.921670        25.0799 
 656   0.0000       0.923623        25.1331 
 657   0.0000       0.925399        25.1814 
 658   0.0000       0.927504        25.2387 
 659   0.0000       0.929678        25.2978 
 660   0.0000       0.930155        25.3108 
 661   0.0000       0.932711        25.3804 
 662   0.0000       0.935286        25.4504 
 663   0.0000       0.935954        25.4686 
 664   0.0000       0.938218        25.5302 
 665   0.0000       0.939047        25.5528 
 666   0.0000       0.943343        25.6697 
 667   0.0000       0.944366        25.6975 
 668   0.0000       0.945403        25.7257 
 669   0.0000       0.947137        25.7729 
 670   0.0000       0.948863        25.8199 
 671   0.0000       0.951164        25.8825 
 672   0.0000       0.954103        25.9625 
 673   0.0000       0.957924        26.0664 
 674   0.0000       0.960635        26.1402 
 675   0.0000       0.963440        26.2165 
 676   0.0000       0.965069        26.2609 
 677   0.0000       0.967178        26.3183 
 678   0.0000       0.968657        26.3585 
 679   0.0000       0.970845        26.4180 
 680   0.0000       0.972631        26.4666 
 681   0.0000       0.975115        26.5342 
 682   0.0000       0.976686        26.5770 
 683   0.0000       0.979422        26.6514 
 684   0.0000       0.981348        26.7038 
 685   0.0000       0.985348        26.8127 
 686   0.0000       0.986248        26.8372 
 687   0.0000       0.987593        26.8738 
 688   0.0000       0.988516        26.8989 
 689   0.0000       0.994073        27.0501 
 690   0.0000       0.995522        27.0895 
 691   0.0000       0.998717        27.1765 
 692   0.0000       1.000526        27.2257 
 693   0.0000       1.002290        27.2737 
 694   0.0000       1.006178        27.3795 
 695   0.0000       1.009853        27.4795 
 696   0.0000       1.011615        27.5274 
 697   0.0000       1.014058        27.5939 
 698   0.0000       1.014903        27.6169 
 699   0.0000       1.016155        27.6510 
 700   0.0000       1.017112        27.6770 
 701   0.0000       1.019103        27.7312 
 702   0.0000       1.022215        27.8159 
 703   0.0000       1.025992        27.9187 
 704   0.0000       1.026608        27.9354 
 705   0.0000       1.028304        27.9816 
 706   0.0000       1.030704        28.0469 
 707   0.0000       1.032371        28.0922 
 708   0.0000       1.036768        28.2119 
 709   0.0000       1.037216        28.2241 
 710   0.0000       1.039840        28.2955 
 711   0.0000       1.043627        28.3985 
 712   0.0000       1.045203        28.4414 
 713   0.0000       1.046743        28.4833 
 714   0.0000       1.051374        28.6093 
 715   0.0000       1.052368        28.6364 
 716   0.0000       1.053595        28.6698 
 717   0.0000       1.056478        28.7482 
 718   0.0000       1.058813        28.8118 
 719   0.0000       1.061184        28.8763 
 720   0.0000       1.063471        28.9385 
 721   0.0000       1.067524        29.0488 
 722   0.0000       1.067972        29.0610 
 723   0.0000       1.070984        29.1430 
 724   0.0000       1.073991        29.2248 
 725   0.0000       1.076209        29.2851 
 726   0.0000       1.076636        29.2967 
 727   0.0000       1.080249        29.3951 
 728   0.0000       1.082979        29.4694 
 729   0.0000       1.084766        29.5180 
 730   0.0000       1.085695        29.5433 
 731   0.0000       1.088396        29.6168 
 732   0.0000       1.090160        29.6648 
 733   0.0000       1.091996        29.7147 
 734   0.0000       1.095449        29.8087 
 735   0.0000       1.097773        29.8719 
 736   0.0000       1.099848        29.9284 
 737   0.0000       1.101766        29.9806 
 738   0.0000       1.106058        30.0974 
 739   0.0000       1.108508        30.1640 
 740   0.0000       1.110515        30.2187 
 741   0.0000       1.112365        30.2690 
 742   0.0000       1.115740        30.3608 
 743   0.0000       1.117799        30.4169 
 744   0.0000       1.118671        30.4406 
 745   0.0000       1.121211        30.5097 
 746   0.0000       1.123917        30.5833 
 747   0.0000       1.126702        30.6591 
 748   0.0000       1.128980        30.7211 
 749   0.0000       1.130272        30.7563 
 750   0.0000       1.131713        30.7955 
 751   0.0000       1.133095        30.8331 
 752   0.0000       1.137473        30.9522 
 753   0.0000       1.141053        31.0496 
 754   0.0000       1.143568        31.1181 
 755   0.0000       1.145298        31.1651 
 756   0.0000       1.146415        31.1955 
 757   0.0000       1.150048        31.2944 
 758   0.0000       1.153946        31.4005 
 759   0.0000       1.154762        31.4227 
 760   0.0000       1.155940        31.4547 
 761   0.0000       1.157786        31.5050 
 762   0.0000       1.160695        31.5841 
 763   0.0000       1.163795        31.6685 
 764   0.0000       1.164720        31.6936 
 765   0.0000       1.165913        31.7261 
 766   0.0000       1.169257        31.8171 
 767   0.0000       1.171642        31.8820 
 768   0.0000       1.176493        32.0140 
 769   0.0000       1.177105        32.0307 
 770   0.0000       1.179636        32.0995 
 771   0.0000       1.180060        32.1111 
 772   0.0000       1.184114        32.2214 
 773   0.0000       1.187636        32.3172 
 774   0.0000       1.190466        32.3942 
 775   0.0000       1.193451        32.4754 
 776   0.0000       1.196784        32.5662 
 777   0.0000       1.198166        32.6037 
 778   0.0000       1.200128        32.6571 
 779   0.0000       1.203351        32.7448 
 780   0.0000       1.206194        32.8222 
 781   0.0000       1.207996        32.8712 
 782   0.0000       1.209614        32.9153 
 783   0.0000       1.212390        32.9908 
 784   0.0000       1.214374        33.0448 
 785   0.0000       1.215906        33.0865 
 786   0.0000       1.219907        33.1954 
 787   0.0000       1.221048        33.2264 
 788   0.0000       1.224482        33.3199 
 789   0.0000       1.225117        33.3371 
 790   0.0000       1.227412        33.3996 
 791   0.0000       1.229562        33.4581 
 792   0.0000       1.230765        33.4908 
 793   0.0000       1.233597        33.5679 
 794   0.0000       1.234420        33.5903 
 795   0.0000       1.241128        33.7728 
 796   0.0000       1.243150        33.8278 
 797   0.0000       1.244739        33.8711 
 798   0.0000       1.247643        33.9501 
 799   0.0000       1.251093        34.0440 
 800   0.0000       1.253032        34.0967 
 801   0.0000       1.255403        34.1613 
 802   0.0000       1.258607        34.2484 
 803   0.0000       1.259714        34.2786 
 804   0.0000       1.260878        34.3102 
 805   0.0000       1.263180        34.3729 
 806   0.0000       1.267575        34.4925 
 807   0.0000       1.271056        34.5872 
 808   0.0000       1.271768        34.6066 
 809   0.0000       1.273180        34.6450 
 810   0.0000       1.275504        34.7082 
 811   0.0000       1.277761        34.7696 
 812   0.0000       1.279575        34.8190 
 813   0.0000       1.280338        34.8398 
 814   0.0000       1.285535        34.9812 
 815   0.0000       1.287336        35.0302 
 816   0.0000       1.294916        35.2365 
 817   0.0000       1.296636        35.2833 
 818   0.0000       1.299336        35.3567 
 819   0.0000       1.301188        35.4071 
 820   0.0000       1.304309        35.4920 
 821   0.0000       1.307680        35.5838 
 822   0.0000       1.311129        35.6776 
 823   0.0000       1.316037        35.8112 
 824   0.0000       1.319000        35.8918 
 825   0.0000       1.322207        35.9791 
 826   0.0000       1.323644        36.0182 
 827   0.0000       1.328703        36.1558 
 828   0.0000       1.331999        36.2455 
 829   0.0000       1.333055        36.2743 
 830   0.0000       1.336451        36.3667 
 831   0.0000       1.340255        36.4702 
 832   0.0000       1.342318        36.5263 
 833   0.0000       1.345029        36.6001 
 834   0.0000       1.350358        36.7451 
 835   0.0000       1.351010        36.7629 
 836   0.0000       1.354855        36.8675 
 837   0.0000       1.361796        37.0564 
 838   0.0000       1.362203        37.0674 
 839   0.0000       1.363936        37.1146 
 840   0.0000       1.368077        37.2273 
 841   0.0000       1.368826        37.2477 
 842   0.0000       1.372478        37.3470 
 843   0.0000       1.375279        37.4233 
 844   0.0000       1.378685        37.5159 
 845   0.0000       1.380938        37.5772 
 846   0.0000       1.382769        37.6270 
 847   0.0000       1.385817        37.7100 
 848   0.0000       1.387984        37.7690 
 849   0.0000       1.389637        37.8139 
 850   0.0000       1.390920        37.8489 
 851   0.0000       1.392180        37.8831 
 852   0.0000       1.394650        37.9504 
 853   0.0000       1.398169        38.0461 
 854   0.0000       1.401511        38.1370 
 855   0.0000       1.406167        38.2637 
 856   0.0000       1.408659        38.3316 
 857   0.0000       1.411333        38.4043 
 858   0.0000       1.412318        38.4311 
 859   0.0000       1.415900        38.5286 
 860   0.0000       1.417279        38.5661 
 861   0.0000       1.420288        38.6480 
 862   0.0000       1.424469        38.7618 
 863   0.0000       1.427267        38.8379 
 864   0.0000       1.429299        38.8932 
 865   0.0000       1.431305        38.9478 
 866   0.0000       1.435116        39.0515 
 867   0.0000       1.437584        39.1186 
 868   0.0000       1.441285        39.2194 
 869   0.0000       1.443267        39.2733 
 870   0.0000       1.444735        39.3133 
 871   0.0000       1.448716        39.4216 
 872   0.0000       1.451283        39.4914 
 873   0.0000       1.451744        39.5040 
 874   0.0000       1.460066        39.7304 
 875   0.0000       1.461468        39.7686 
 876   0.0000       1.463748        39.8306 
 877   0.0000       1.468484        39.9595 
 878   0.0000       1.470891        40.0250 
 879   0.0000       1.471941        40.0536 
 880   0.0000       1.474213        40.1154 
 881   0.0000       1.475426        40.1484 
 882   0.0000       1.476048        40.1653 
 883   0.0000       1.483135        40.3582 
 884   0.0000       1.485260        40.4160 
 885   0.0000       1.485668        40.4271 
 886   0.0000       1.488919        40.5155 
 887   0.0000       1.493676        40.6450 
 888   0.0000       1.494628        40.6709 
 889   0.0000       1.495719        40.7006 
 890   0.0000       1.499324        40.7987 
 891   0.0000       1.499684        40.8085 
 892   0.0000       1.501788        40.8657 
 893   0.0000       1.504269        40.9333 
 894   0.0000       1.507375        41.0177 
 895   0.0000       1.508700        41.0538 
 896   0.0000       1.510682        41.1078 
 897   0.0000       1.512915        41.1685 
 898   0.0000       1.514577        41.2137 
 899   0.0000       1.517586        41.2956 
 900   0.0000       1.518822        41.3292 
 901   0.0000       1.522320        41.4244 
 902   0.0000       1.524618        41.4870 
 903   0.0000       1.527400        41.5627 
 904   0.0000       1.528347        41.5884 
 905   0.0000       1.530024        41.6341 
 906   0.0000       1.533171        41.7197 
 907   0.0000       1.535400        41.7804 
 908   0.0000       1.536585        41.8126 
 909   0.0000       1.538556        41.8662 
 910   0.0000       1.543009        41.9874 
 911   0.0000       1.544458        42.0269 
 912   0.0000       1.547866        42.1196 
 913   0.0000       1.549338        42.1596 
 914   0.0000       1.551780        42.2261 
 915   0.0000       1.554250        42.2933 
 916   0.0000       1.556801        42.3627 
 917   0.0000       1.559668        42.4407 
 918   0.0000       1.563481        42.5445 
 919   0.0000       1.567060        42.6419 
 920   0.0000       1.570906        42.7465 
 921   0.0000       1.572438        42.7882 
 922   0.0000       1.575341        42.8672 
 923   0.0000       1.577291        42.9203 
 924   0.0000       1.578892        42.9638 
 925   0.0000       1.584379        43.1131 
 926   0.0000       1.586435        43.1691 
 927   0.0000       1.588529        43.2261 
 928   0.0000       1.591687        43.3120 
 929   0.0000       1.595110        43.4052 
 930   0.0000       1.597316        43.4652 
 931   0.0000       1.602514        43.6066 
 932   0.0000       1.607662        43.7467 
 933   0.0000       1.610488        43.8236 
 934   0.0000       1.611963        43.8637 
 935   0.0000       1.616437        43.9855 
 936   0.0000       1.618804        44.0499 
 937   0.0000       1.619629        44.0723 
 938   0.0000       1.624356        44.2010 
 939   0.0000       1.630386        44.3651 
 940   0.0000       1.634243        44.4700 
 941   0.0000       1.636689        44.5366 
 942   0.0000       1.637842        44.5679 
 943   0.0000       1.643054        44.7098 
 944   0.0000       1.650062        44.9005 
 945   0.0000       1.651388        44.9365 
 946   0.0000       1.652858        44.9765 
 947   0.0000       1.655307        45.0432 
 948   0.0000       1.658829        45.1390 
 949   0.0000       1.664814        45.3019 
 950   0.0000       1.667082        45.3636 
 951   0.0000       1.671693        45.4891 
 952   0.0000       1.675354        45.5887 
 953   0.0000       1.680957        45.7412 
 954   0.0000       1.685000        45.8512 
 955   0.0000       1.690220        45.9932 
 956   0.0000       1.691759        46.0351 
 957   0.0000       1.697304        46.1860 
 958   0.0000       1.699773        46.2532 
 959   0.0000       1.701092        46.2891 
 960   0.0000       1.706323        46.4314 
 961   0.0000       1.711858        46.5820 
 962   0.0000       1.715046        46.6688 
 963   0.0000       1.716259        46.7018 
 964   0.0000       1.723065        46.8870 
 965   0.0000       1.728719        47.0408 
 966   0.0000       1.733610        47.1739 
 967   0.0000       1.737769        47.2871 
 968   0.0000       1.740304        47.3561 
 969   0.0000       1.741828        47.3975 
 970   0.0000       1.743695        47.4484 
 971   0.0000       1.748293        47.5735 
 972   0.0000       1.751624        47.6641 
 973   0.0000       1.761112        47.9223 
 974   0.0000       1.762145        47.9504 
 975   0.0000       1.762816        47.9687 
 976   0.0000       1.764656        48.0187 
 977   0.0000       1.768261        48.1168 
 978   0.0000       1.769478        48.1500 
 979   0.0000       1.774260        48.2801 
 980   0.0000       1.778329        48.3908 
 981   0.0000       1.779747        48.4294 
 982   0.0000       1.781394        48.4742 
 983   0.0000       1.787212        48.6325 
 984   0.0000       1.789219        48.6871 
 985   0.0000       1.791000        48.7356 
 986   0.0000       1.794823        48.8396 
 987   0.0000       1.799870        48.9770 
 988   0.0000       1.802568        49.0504 
 989   0.0000       1.804303        49.0976 
 990   0.0000       1.809938        49.2509 
 991   0.0000       1.811388        49.2904 
 992   0.0000       1.812492        49.3204 
 993   0.0000       1.817308        49.4515 
 994   0.0000       1.819122        49.5008 
 995   0.0000       1.821550        49.5669 
 996   0.0000       1.823438        49.6183 
 997   0.0000       1.826014        49.6884 
 998   0.0000       1.830513        49.8108 
 999   0.0000       1.833175        49.8832 
 1000   0.0000       1.835157        49.9372 
 1001   0.0000       1.836371        49.9702 
 1002   0.0000       1.837441        49.9993 
 1003   0.0000       1.839606        50.0582 
 1004   0.0000       1.846261        50.2393 
 1005   0.0000       1.848132        50.2902 
 1006   0.0000       1.851681        50.3868 
 1007   0.0000       1.852916        50.4204 
 1008   0.0000       1.855931        50.5024 
 1009   0.0000       1.857942        50.5572 
 1010   0.0000       1.858859        50.5821 
 1011   0.0000       1.859906        50.6106 
 1012   0.0000       1.864374        50.7322 
 1013   0.0000       1.866603        50.7929 
 1014   0.0000       1.869022        50.8587 
 1015   0.0000       1.871392        50.9232 
 1016   0.0000       1.874316        51.0027 
 1017   0.0000       1.878057        51.1045 
 1018   0.0000       1.879432        51.1420 
 1019   0.0000       1.879758        51.1508 
 1020   0.0000       1.882425        51.2234 
 1021   0.0000       1.882874        51.2356 
 1022   0.0000       1.887195        51.3532 
 1023   0.0000       1.890996        51.4566 
 1024   0.0000       1.893986        51.5380 
 1025   0.0000       1.894962        51.5645 
 1026   0.0000       1.896470        51.6056 
 1027   0.0000       1.898856        51.6705 
 1028   0.0000       1.901627        51.7459 
 1029   0.0000       1.903562        51.7985 
 1030   0.0000       1.905128        51.8412 
 1031   0.0000       1.907773        51.9131 
 1032   0.0000       1.908961        51.9455 
 1033   0.0000       1.910269        51.9811 
 1034   0.0000       1.912612        52.0448 
 1035   0.0000       1.916942        52.1626 
 1036   0.0000       1.918134        52.1951 
 1037   0.0000       1.920497        52.2594 
 1038   0.0000       1.922389        52.3109 
 1039   0.0000       1.924758        52.3753 
 1040   0.0000       1.925626        52.3989 
 1041   0.0000       1.928313        52.4721 
 1042   0.0000       1.930248        52.5247 
 1043   0.0000       1.932025        52.5731 
 1044   0.0000       1.932613        52.5891 
 1045   0.0000       1.935567        52.6695 
 1046   0.0000       1.936920        52.7063 
 1047   0.0000       1.939580        52.7787 
 1048   0.0000       1.940317        52.7987 
 1049   0.0000       1.942439        52.8564 
 1050   0.0000       1.943642        52.8892 
 1051   0.0000       1.946142        52.9572 
 1052   0.0000       1.946471        52.9662 
 1053   0.0000       1.948847        53.0308 
 1054   0.0000       1.950457        53.0746 
 1055   0.0000       1.951630        53.1065 
 1056   0.0000       1.951820        53.1117 
 1057   0.0000       1.956188        53.2306 
 1058   0.0000       1.959966        53.3334 
 1059   0.0000       1.960868        53.3579 
 1060   0.0000       1.964920        53.4682 
 1061   0.0000       1.966580        53.5134 
 1062   0.0000       1.967784        53.5461 
 1063   0.0000       1.970038        53.6074 
 1064   0.0000       1.971507        53.6474 
 1065   0.0000       1.974739        53.7354 
 1066   0.0000       1.975669        53.7607 
 1067   0.0000       1.977371        53.8070 
 1068   0.0000       1.978904        53.8487 
 1069   0.0000       1.980480        53.8916 
 1070   0.0000       1.982248        53.9397 
 1071   0.0000       1.984426        53.9990 
 1072   0.0000       1.986136        54.0455 
 1073   0.0000       1.988007        54.0964 
 1074   0.0000       1.988972        54.1227 
 1075   0.0000       1.990800        54.1724 
 1076   0.0000       1.993702        54.2514 
 1077   0.0000       1.994159        54.2638 
 1078   0.0000       1.994250        54.2663 
 1079   0.0000       1.997484        54.3543 
 1080   0.0000       1.998042        54.3695 
 1081   0.0000       1.999391        54.4062 
 1082   0.0000       2.003598        54.5207 
 1083   0.0000       2.003900        54.5289 
 1084   0.0000       2.005388        54.5694 
 1085   0.0000       2.007650        54.6309 
 1086   0.0000       2.012608        54.7659 
 1087   0.0000       2.014466        54.8164 
 1088   0.0000       2.015253        54.8378 
 1089   0.0000       2.016554        54.8732 
 1090   0.0000       2.018864        54.9361 
 1091   0.0000       2.020103        54.9698 
 1092   0.0000       2.020850        54.9901 
 1093   0.0000       2.022269        55.0288 
 1094   0.0000       2.024391        55.0865 
 1095   0.0000       2.025789        55.1245 
 1096   0.0000       2.028637        55.2020 
 1097   0.0000       2.029671        55.2301 
 1098   0.0000       2.032088        55.2959 
 1099   0.0000       2.033537        55.3354 
 1100   0.0000       2.036258        55.4094 
 1101   0.0000       2.037417        55.4409 
 1102   0.0000       2.040292        55.5192 
 1103   0.0000       2.042827        55.5882 
 1104   0.0000       2.045339        55.6565 
 1105   0.0000       2.046513        55.6885 
 1106   0.0000       2.048001        55.7289 
 1107   0.0000       2.048779        55.7501 
 1108   0.0000       2.049097        55.7588 
 1109   0.0000       2.052820        55.8601 
 1110   0.0000       2.053565        55.8803 
 1111   0.0000       2.055407        55.9305 
 1112   0.0000       2.058875        56.0248 
 1113   0.0000       2.061199        56.0881 
 1114   0.0000       2.062997        56.1370 
 1115   0.0000       2.064048        56.1656 
 1116   0.0000       2.064903        56.1889 
 1117   0.0000       2.066988        56.2456 
 1118   0.0000       2.070950        56.3534 
 1119   0.0000       2.072268        56.3893 
 1120   0.0000       2.074184        56.4414 
 1121   0.0000       2.076448        56.5030 
 1122   0.0000       2.077576        56.5337 
 1123   0.0000       2.080539        56.6143 
 1124   0.0000       2.081331        56.6359 
 1125   0.0000       2.083274        56.6888 
 1126   0.0000       2.085372        56.7458 
 1127   0.0000       2.087227        56.7963 
 1128   0.0000       2.090977        56.8984 
 1129   0.0000       2.093559        56.9686 
 1130   0.0000       2.094540        56.9953 
 1131   0.0000       2.096363        57.0449 
 1132   0.0000       2.097236        57.0687 
 1133   0.0000       2.099156        57.1209 
 1134   0.0000       2.100829        57.1665 
 1135   0.0000       2.103254        57.2325 
 1136   0.0000       2.104407        57.2638 
 1137   0.0000       2.106071        57.3091 
 1138   0.0000       2.107826        57.3569 
 1139   0.0000       2.109161        57.3932 
 1140   0.0000       2.112045        57.4717 
 1141   0.0000       2.114192        57.5301 
 1142   0.0000       2.114795        57.5465 
 1143   0.0000       2.116738        57.5994 
 1144   0.0000       2.119854        57.6842 
 1145   0.0000       2.120921        57.7132 
 1146   0.0000       2.122588        57.7586 
 1147   0.0000       2.125634        57.8415 
 1148   0.0000       2.127702        57.8977 
 1149   0.0000       2.128962        57.9320 
 1150   0.0000       2.130188        57.9654 
 1151   0.0000       2.131100        57.9902 
 1152   0.0000       2.135314        58.1048 
 1153   0.0000       2.137329        58.1597 
 1154   0.0000       2.137762        58.1715 
 1155   0.0000       2.140468        58.2451 
 1156   0.0000       2.141209        58.2653 
 1157   0.0000       2.145802        58.3902 
 1158   0.0000       2.148215        58.4559 
 1159   0.0000       2.149364        58.4872 
 1160   0.0000       2.151641        58.5491 
 1161   0.0000       2.153877        58.6100 
 1162   0.0000       2.154760        58.6340 
 1163   0.0000       2.156668        58.6859 
 1164   0.0000       2.157875        58.7188 
 1165   0.0000       2.159439        58.7613 
 1166   0.0000       2.160863        58.8001 
 1167   0.0000       2.161824        58.8262 
 1168   0.0000       2.164522        58.8996 
 1169   0.0000       2.166799        58.9616 
 1170   0.0000       2.169050        59.0229 
 1171   0.0000       2.170880        59.0727 
 1172   0.0000       2.171608        59.0925 
 1173   0.0000       2.174193        59.1628 
 1174   0.0000       2.175491        59.1981 
 1175   0.0000       2.177515        59.2532 
 1176   0.0000       2.181132        59.3516 
 1177   0.0000       2.181773        59.3690 
 1178   0.0000       2.184238        59.4361 
 1179   0.0000       2.185838        59.4797 
 1180   0.0000       2.188050        59.5399 
 1181   0.0000       2.190292        59.6009 
 1182   0.0000       2.193313        59.6831 
 1183   0.0000       2.194670        59.7200 
 1184   0.0000       2.197627        59.8005 
 1185   0.0000       2.198189        59.8158 
 1186   0.0000       2.198410        59.8218 
 1187   0.0000       2.201376        59.9025 
 1188   0.0000       2.202719        59.9390 
 1189   0.0000       2.205335        60.0102 
 1190   0.0000       2.207810        60.0776 
 1191   0.0000       2.210128        60.1407 
 1192   0.0000       2.211023        60.1650 
 1193   0.0000       2.212452        60.2039 
 1194   0.0000       2.214918        60.2710 
 1195   0.0000       2.216630        60.3176 
 1196   0.0000       2.217322        60.3364 
 1197   0.0000       2.219294        60.3901 
 1198   0.0000       2.219606        60.3986 
 1199   0.0000       2.221860        60.4599 
 1200   0.0000       2.223850        60.5140 
 1201   0.0000       2.225411        60.5565 
 1202   0.0000       2.229035        60.6551 
 1203   0.0000       2.232239        60.7423 
 1204   0.0000       2.233015        60.7634 
 1205   0.0000       2.234906        60.8149 
 1206   0.0000       2.236704        60.8638 
 1207   0.0000       2.241364        60.9906 
 1208   0.0000       2.243596        61.0513 
 1209   0.0000       2.245983        61.1163 
 1210   0.0000       2.246512        61.1307 
 1211   0.0000       2.249261        61.2055 
 1212   0.0000       2.250145        61.2295 
 1213   0.0000       2.253244        61.3139 
 1214   0.0000       2.253762        61.3280 
 1215   0.0000       2.256897        61.4133 
 1216   0.0000       2.259045        61.4717 
 1217   0.0000       2.260466        61.5104 
 1218   0.0000       2.262142        61.5560 
 1219   0.0000       2.265536        61.6484 
 1220   0.0000       2.268028        61.7162 
 1221   0.0000       2.269194        61.7479 
 1222   0.0000       2.270537        61.7845 
 1223   0.0000       2.272858        61.8476 
 1224   0.0000       2.275298        61.9140 
 1225   0.0000       2.277662        61.9783 
 1226   0.0000       2.280770        62.0629 
 1227   0.0000       2.282652        62.1141 
 1228   0.0000       2.285592        62.1941 
 1229   0.0000       2.287720        62.2520 
 1230   0.0000       2.291520        62.3554 
 1231   0.0000       2.292877        62.3924 
 1232   0.0000       2.295973        62.4766 
 1233   0.0000       2.298443        62.5438 
 1234   0.0000       2.300451        62.5984 
 1235   0.0000       2.301440        62.6254 
 1236   0.0000       2.304527        62.7094 
 1237   0.0000       2.305838        62.7450 
 1238   0.0000       2.308447        62.8160 
 1239   0.0000       2.310363        62.8682 
 1240   0.0000       2.312838        62.9355 
 1241   0.0000       2.313072        62.9419 
 1242   0.0000       2.317168        63.0533 
 1243   0.0000       2.317808        63.0708 
 1244   0.0000       2.321096        63.1602 
 1245   0.0000       2.322331        63.1938 
 1246   0.0000       2.324486        63.2525 
 1247   0.0000       2.325247        63.2732 
 1248   0.0000       2.326603        63.3101 
 1249   0.0000       2.329150        63.3794 
 1250   0.0000       2.333407        63.4952 
 1251   0.0000       2.336257        63.5728 
 1252   0.0000       2.339023        63.6480 
 1253   0.0000       2.340314        63.6832 
 1254   0.0000       2.342752        63.7495 
 1255   0.0000       2.344855        63.8067 
 1256   0.0000       2.346366        63.8479 
 1257   0.0000       2.348782        63.9136 
 1258   0.0000       2.351567        63.9894 
 1259   0.0000       2.351903        63.9985 
 1260   0.0000       2.356571        64.1256 
 1261   0.0000       2.358382        64.1748 
 1262   0.0000       2.361532        64.2606 
 1263   0.0000       2.364777        64.3489 
 1264   0.0000       2.366390        64.3927 
 1265   0.0000       2.370183        64.4960 
 1266   0.0000       2.371293        64.5262 
 1267   0.0000       2.375314        64.6356 
 1268   0.0000       2.376975        64.6808 
 1269   0.0000       2.379101        64.7386 
 1270   0.0000       2.381408        64.8014 
 1271   0.0000       2.384572        64.8875 
 1272   0.0000       2.386050        64.9277 
 1273   0.0000       2.386997        64.9535 
 1274   0.0000       2.391494        65.0759 
 1275   0.0000       2.395262        65.1784 
 1276   0.0000       2.397995        65.2528 
 1277   0.0000       2.398967        65.2792 
 1278   0.0000       2.404283        65.4239 
 1279   0.0000       2.406297        65.4787 
 1280   0.0000       2.409104        65.5551 
 1281   0.0000       2.412882        65.6578 
 1282   0.0000       2.416998        65.7699 
 1283   0.0000       2.420655        65.8694 
 1284   0.0000       2.423222        65.9392 
 1285   0.0000       2.423798        65.9549 
 1286   0.0000       2.427881        66.0660 
 1287   0.0000       2.428922        66.0943 
 1288   0.0000       2.433149        66.2094 
 1289   0.0000       2.433717        66.2248 
 1290   0.0000       2.436817        66.3092 
 1291   0.0000       2.440751        66.4162 
 1292   0.0000       2.446495        66.5725 
 1293   0.0000       2.447768        66.6071 
 1294   0.0000       2.450159        66.6722 
 1295   0.0000       2.452111        66.7253 
 1296   0.0000       2.454402        66.7877 
 1297   0.0000       2.455799        66.8257 
 1298   0.0000       2.459787        66.9342 
 1299   0.0000       2.465890        67.1003 
 1300   0.0000       2.468212        67.1635 
 1301   0.0000       2.470679        67.2306 
 1302   0.0000       2.474821        67.3433 
 1303   0.0000       2.475327        67.3571 
 1304   0.0000       2.478412        67.4410 
 1305   0.0000       2.480273        67.4917 
 1306   0.0000       2.487821        67.6971 
 1307   0.0000       2.493136        67.8417 
 1308   0.0000       2.498302        67.9822 
 1309   0.0000       2.501866        68.0792 
 1310   0.0000       2.505628        68.1816 
 1311   0.0000       2.506747        68.2121 
 1312   0.0000       2.509665        68.2914 
 1313   0.0000       2.510956        68.3266 
 1314   0.0000       2.519369        68.5555 
 1315   0.0000       2.522450        68.6393 
 1316   0.0000       2.529609        68.8341 
 1317   0.0000       2.530554        68.8599 
 1318   0.0000       2.531827        68.8945 
 1319   0.0000       2.536863        69.0316 
 1320   0.0000       2.538984        69.0893 
 1321   0.0000       2.543237        69.2050 
 1322   0.0000       2.544619        69.2426 
 1323   0.0000       2.551498        69.4298 
 1324   0.0000       2.555290        69.5330 
 1325   0.0000       2.557247        69.5862 
 1326   0.0000       2.562167        69.7201 
 1327   0.0000       2.564976        69.7966 
 1328   0.0000       2.570674        69.9516 
 1329   0.0000       2.571822        69.9828 
 1330   0.0000       2.576646        70.1141 
 1331   0.0000       2.577033        70.1246 
 1332   0.0000       2.584169        70.3188 
 1333   0.0000       2.587847        70.4189 
 1334   0.0000       2.589071        70.4522 
 1335   0.0000       2.593357        70.5688 
 1336   0.0000       2.596555        70.6559 
 1337   0.0000       2.600383        70.7600 
 1338   0.0000       2.602943        70.8297 
 1339   0.0000       2.604954        70.8844 
 1340   0.0000       2.612857        71.0994 
 1341   0.0000       2.615895        71.1821 
 1342   0.0000       2.622026        71.3490 
 1343   0.0000       2.625408        71.4410 
 1344   0.0000       2.629326        71.5476 
 1345   0.0000       2.632989        71.6473 
 1346   0.0000       2.641814        71.8874 
 1347   0.0000       2.644235        71.9533 
 1348   0.0000       2.646815        72.0235 
 1349   0.0000       2.656633        72.2907 
 1350   0.0000       2.662359        72.4465 
 1351   0.0000       2.665400        72.5292 
 1352   0.0000       2.673186        72.7411 
 1353   0.0000       2.675450        72.8027 
 1354   0.0000       2.679186        72.9043 
 1355   0.0000       2.681095        72.9563 
 1356   0.0000       2.691024        73.2265 
 1357   0.0000       2.692810        73.2751 
 1358   0.0000       2.700272        73.4781 
 1359   0.0000       2.704894        73.6039 
 1360   0.0000       2.707566        73.6766 
 1361   0.0000       2.715448        73.8911 
 1362   0.0000       2.718980        73.9872 
 1363   0.0000       2.727936        74.2309 
 1364   0.0000       2.733302        74.3769 
 1365   0.0000       2.738547        74.5197 
 1366   0.0000       2.755145        74.9713 
 1367   0.0000       2.759704        75.0954 
 1368   0.0000       2.771371        75.4128 
 1369   0.0000       2.774082        75.4866 
 1370   0.0000       2.780246        75.6543 
 1371   0.0000       2.795585        76.0717 
 1372   0.0000       2.799308        76.1730 
 1373   0.0000       2.809907        76.4615 
 1374   0.0000       2.813641        76.5631 
 1375   0.0000       2.818664        76.6997 
 1376   0.0000       2.822585        76.8064 
 1377   0.0000       2.827377        76.9368 
 1378   0.0000       2.833857        77.1132 
 1379   0.0000       2.840856        77.3036 
 1380   0.0000       2.848287        77.5058 
 1381   0.0000       2.859786        77.8187 
 1382   0.0000       2.880659        78.3867 
 1383   0.0000       2.891441        78.6801 
 1384   0.0000       2.902671        78.9857 
 1385   0.0000       2.915522        79.3354 
 1386   0.0000       2.929645        79.7197 
 1387   0.0000       2.935188        79.8705 
 1388   0.0000       2.940253        80.0083 
 1389   0.0000       2.967756        80.7568 
 1390   0.0000       2.995151        81.5022 
 1391   0.0000       2.997006        81.5527 
 1392   0.0000       3.045300        82.8668 
 1393   0.0000       3.068512        83.4985 
 1394   0.0000       3.082451        83.8778 
 1395   0.0000       3.094353        84.2016 
 1396   0.0000       3.106159        84.5229 
 1397   0.0000       3.110161        84.6318 
 1398   0.0000       3.121868        84.9503 
 1399   0.0000       3.132035        85.2270 
 1400   0.0000       3.147411        85.6454 
 1401   0.0000       3.151693        85.7619 
 1402   0.0000       3.171888        86.3114 
 1403   0.0000       3.190640        86.8217 
 1404   0.0000       3.199513        87.0632 
 1405   0.0000       3.207807        87.2889 
 1406   0.0000       3.214761        87.4781 
 1407   0.0000       3.215607        87.5011 
 1408   0.0000       3.224778        87.7507 
 1409   0.0000       3.229404        87.8765 
 1410   0.0000       3.234173        88.0063 
 1411   0.0000       3.237361        88.0931 
 1412   0.0000       3.241925        88.2173 
 1413   0.0000       3.248061        88.3842 
 1414   0.0000       3.254344        88.5552 
 1415   0.0000       3.258125        88.6581 
 1416   0.0000       3.259037        88.6829 
 1417   0.0000       3.263481        88.8038 
 1418   0.0000       3.269701        88.9731 
 1419   0.0000       3.278649        89.2166 
 1420   0.0000       3.279405        89.2371 
 1421   0.0000       3.287502        89.4575 
 1422   0.0000       3.295538        89.6761 
 1423   0.0000       3.299561        89.7856 
 1424   0.0000       3.303520        89.8933 
 1425   0.0000       3.305979        89.9603 
 1426   0.0000       3.308811        90.0373 
 1427   0.0000       3.313990        90.1783 
 1428   0.0000       3.315290        90.2136 
 1429   0.0000       3.321170        90.3736 
 1430   0.0000       3.327320        90.5410 
 1431   0.0000       3.332439        90.6803 
 1432   0.0000       3.337306        90.8127 
 1433   0.0000       3.339108        90.8618 
 1434   0.0000       3.343438        90.9796 
 1435   0.0000       3.346629        91.0664 
 1436   0.0000       3.348805        91.1256 
 1437   0.0000       3.353579        91.2555 
 1438   0.0000       3.356766        91.3422 
 1439   0.0000       3.357670        91.3668 
 1440   0.0000       3.361537        91.4721 
 1441   0.0000       3.362586        91.5006 
 1442   0.0000       3.366188        91.5986 
 1443   0.0000       3.368908        91.6727 
 1444   0.0000       3.372143        91.7607 
 1445   0.0000       3.377355        91.9025 
 1446   0.0000       3.379863        91.9707 
 1447   0.0000       3.383745        92.0764 
 1448   0.0000       3.385630        92.1277 
 1449   0.0000       3.390375        92.2568 
 1450   0.0000       3.391760        92.2945 
 1451   0.0000       3.393498        92.3418 
 1452   0.0000       3.396271        92.4172 
 1453   0.0000       3.398300        92.4724 
 1454   0.0000       3.404197        92.6329 
 1455   0.0000       3.408969        92.7628 
 1456   0.0000       3.412036        92.8462 
 1457   0.0000       3.415919        92.9519 
 1458   0.0000       3.420702        93.0820 
 1459   0.0000       3.422989        93.1443 
 1460   0.0000       3.425120        93.2023 
 1461   0.0000       3.430360        93.3448 
 1462   0.0000       3.431428        93.3739 
 1463   0.0000       3.436819        93.5206 
 1464   0.0000       3.437411        93.5367 
 1465   0.0000       3.444936        93.7415 
 1466   0.0000       3.448282        93.8325 
 1467   0.0000       3.451799        93.9282 
 1468   0.0000       3.454569        94.0036 
 1469   0.0000       3.457566        94.0852 
 1470   0.0000       3.461222        94.1847 
 1471   0.0000       3.464451        94.2725 
 1472   0.0000       3.467090        94.3443 
 1473   0.0000       3.468315        94.3776 
 1474   0.0000       3.470627        94.4406 
 1475   0.0000       3.470863        94.4470 
 1476   0.0000       3.474096        94.5350 
 1477   0.0000       3.474527        94.5467 
 1478   0.0000       3.477508        94.6278 
 1479   0.0000       3.479806        94.6903 
 1480   0.0000       3.484051        94.8059 
 1481   0.0000       3.486990        94.8858 
 1482   0.0000       3.489206        94.9461 
 1483   0.0000       3.490911        94.9925 
 1484   0.0000       3.495966        95.1301 
 1485   0.0000       3.499371        95.2227 
 1486   0.0000       3.502713        95.3137 
 1487   0.0000       3.505606        95.3924 
 1488   0.0000       3.507486        95.4435 
 1489   0.0000       3.514809        95.6428 
 1490   0.0000       3.515428        95.6596 
 1491   0.0000       3.516709        95.6945 
 1492   0.0000       3.519070        95.7588 
 1493   0.0000       3.520968        95.8104 
 1494   0.0000       3.523910        95.8905 
 1495   0.0000       3.529163        96.0334 
 1496   0.0000       3.530756        96.0767 
 1497   0.0000       3.535336        96.2014 
 1498   0.0000       3.539028        96.3018 
 1499   0.0000       3.541149        96.3596 
 1500   0.0000       3.544684        96.4558 
 1501   0.0000       3.548886        96.5701 
 1502   0.0000       3.555001        96.7365 
 1503   0.0000       3.556546        96.7785 
 1504   0.0000       3.558401        96.8290 
 1505   0.0000       3.562147        96.9309 
 1506   0.0000       3.564178        96.9862 
 1507   0.0000       3.564729        97.0012 
 1508   0.0000       3.570920        97.1697 
 1509   0.0000       3.574623        97.2704 
 1510   0.0000       3.576293        97.3159 
 1511   0.0000       3.580797        97.4384 
 1512   0.0000       3.585441        97.5648 
 1513   0.0000       3.592682        97.7619 
 1514   0.0000       3.594734        97.8177 
 1515   0.0000       3.600136        97.9647 
 1516   0.0000       3.601570        98.0037 
 1517   0.0000       3.604539        98.0845 
 1518   0.0000       3.608862        98.2021 
 1519   0.0000       3.612222        98.2936 
 1520   0.0000       3.619582        98.4938 
 1521   0.0000       3.622115        98.5627 
 1522   0.0000       3.623903        98.6114 
 1523   0.0000       3.626388        98.6790 
 1524   0.0000       3.630388        98.7879 
 1525   0.0000       3.631116        98.8077 
 1526   0.0000       3.635208        98.9190 
 1527   0.0000       3.642768        99.1247 
 1528   0.0000       3.643057        99.1326 
 1529   0.0000       3.647100        99.2426 
 1530   0.0000       3.648644        99.2846 
 1531   0.0000       3.648859        99.2905 
 1532   0.0000       3.650175        99.3263 
 1533   0.0000       3.651723        99.3684 
 1534   0.0000       3.655416        99.4689 
 1535   0.0000       3.657472        99.5249 
 1536   0.0000       3.659932        99.5918 
 1537   0.0000       3.662287        99.6559 
 1538   0.0000       3.665471        99.7425 
 1539   0.0000       3.667586        99.8001 
 1540   0.0000       3.672064        99.9219 
 1541   0.0000       3.674923        99.9997 
 1542   0.0000       3.675999       100.0290 
 1543   0.0000       3.676956       100.0551 
 1544   0.0000       3.679379       100.1210 
 1545   0.0000       3.682654       100.2101 
 1546   0.0000       3.687162       100.3328 
 1547   0.0000       3.688117       100.3588 
 1548   0.0000       3.691289       100.4451 
 1549   0.0000       3.693888       100.5158 
 1550   0.0000       3.694263       100.5260 
 1551   0.0000       3.696688       100.5920 
 1552   0.0000       3.700492       100.6955 
 1553   0.0000       3.704527       100.8053 
 1554   0.0000       3.706236       100.8518 
 1555   0.0000       3.706550       100.8603 
 1556   0.0000       3.710761       100.9749 
 1557   0.0000       3.714797       101.0848 
 1558   0.0000       3.718061       101.1736 
 1559   0.0000       3.719289       101.2070 
 1560   0.0000       3.722579       101.2965 
 1561   0.0000       3.724190       101.3404 
 1562   0.0000       3.726339       101.3988 
 1563   0.0000       3.737679       101.7074 
 1564   0.0000       3.739708       101.7626 
 1565   0.0000       3.742979       101.8516 
 1566   0.0000       3.743812       101.8743 
 1567   0.0000       3.745714       101.9261 
 1568   0.0000       3.747521       101.9752 
 1569   0.0000       3.749730       102.0353 
 1570   0.0000       3.754812       102.1736 
 1571   0.0000       3.759825       102.3100 
 1572   0.0000       3.765461       102.4634 
 1573   0.0000       3.766261       102.4852 
 1574   0.0000       3.770279       102.5945 
 1575   0.0000       3.775695       102.7419 
 1576   0.0000       3.780371       102.8691 
 1577   0.0000       3.781449       102.8985 
 1578   0.0000       3.784027       102.9686 
 1579   0.0000       3.786511       103.0362 
 1580   0.0000       3.788217       103.0826 
 1581   0.0000       3.790950       103.1570 
 1582   0.0000       3.794006       103.2402 
 1583   0.0000       3.798976       103.3754 
 1584   0.0000       3.801309       103.4389 
 1585   0.0000       3.805273       103.5467 
 1586   0.0000       3.809075       103.6502 
 1587   0.0000       3.813885       103.7811 
 1588   0.0000       3.819987       103.9471 
 1589   0.0000       3.821623       103.9916 
 1590   0.0000       3.824107       104.0592 
 1591   0.0000       3.825625       104.1006 
 1592   0.0000       3.830834       104.2423 
 1593   0.0000       3.831838       104.2696 
 1594   0.0000       3.833154       104.3054 
 1595   0.0000       3.836128       104.3863 
 1596   0.0000       3.839016       104.4649 
 1597   0.0000       3.842229       104.5524 
 1598   0.0000       3.845700       104.6468 
 1599   0.0000       3.848371       104.7195 
 1600   0.0000       3.850585       104.7797 
 1601   0.0000       3.853647       104.8631 
 1602   0.0000       3.854049       104.8740 
 1603   0.0000       3.855968       104.9262 
 1604   0.0000       3.858375       104.9917 
 1605   0.0000       3.861018       105.0636 
 1606   0.0000       3.863934       105.1430 
 1607   0.0000       3.865725       105.1917 
 1608   0.0000       3.868579       105.2694 
 1609   0.0000       3.869634       105.2981 
 1610   0.0000       3.872203       105.3680 
 1611   0.0000       3.874270       105.4242 
 1612   0.0000       3.877524       105.5128 
 1613   0.0000       3.879498       105.5665 
 1614   0.0000       3.881277       105.6149 
 1615   0.0000       3.886718       105.7630 
 1616   0.0000       3.888752       105.8183 
 1617   0.0000       3.888951       105.8237 
 1618   0.0000       3.891726       105.8993 
 1619   0.0000       3.894266       105.9684 
 1620   0.0000       3.895498       106.0019 
 1621   0.0000       3.898214       106.0758 
 1622   0.0000       3.900741       106.1446 
 1623   0.0000       3.902704       106.1980 
 1624   0.0000       3.903754       106.2265 
 1625   0.0000       3.905977       106.2870 
 1626   0.0000       3.908739       106.3622 
 1627   0.0000       3.910410       106.4077 
 1628   0.0000       3.912731       106.4708 
 1629   0.0000       3.913580       106.4939 
 1630   0.0000       3.915119       106.5358 
 1631   0.0000       3.919716       106.6609 
 1632   0.0000       3.922267       106.7303 
 1633   0.0000       3.923449       106.7625 
 1634   0.0000       3.927946       106.8848 
 1635   0.0000       3.930244       106.9474 
 1636   0.0000       3.933998       107.0495 
 1637   0.0000       3.934829       107.0721 
 1638   0.0000       3.936172       107.1087 
 1639   0.0000       3.939009       107.1859 
 1640   0.0000       3.939949       107.2115 
 1641   0.0000       3.942796       107.2889 
 1642   0.0000       3.945502       107.3626 
 1643   0.0000       3.946898       107.4005 
 1644   0.0000       3.949480       107.4708 
 1645   0.0000       3.953347       107.5761 
 1646   0.0000       3.955943       107.6467 
 1647   0.0000       3.956301       107.6564 
 1648   0.0000       3.960414       107.7684 
 1649   0.0000       3.962441       107.8235 
 1650   0.0000       3.963338       107.8479 
 1651   0.0000       3.964124       107.8693 
 1652   0.0000       3.966192       107.9256 
 1653   0.0000       3.968589       107.9908 
 1654   0.0000       3.970160       108.0335 
 1655   0.0000       3.973445       108.1229 
 1656   0.0000       3.978504       108.2606 
 1657   0.0000       3.980542       108.3161 
 1658   0.0000       3.982237       108.3622 
 1659   0.0000       3.984583       108.4260 
 1660   0.0000       3.988992       108.5460 
 1661   0.0000       3.990362       108.5833 
 1662   0.0000       3.991487       108.6139 
 1663   0.0000       3.994067       108.6841 
 1664   0.0000       3.995729       108.7293 
 1665   0.0000       3.996987       108.7635 
 1666   0.0000       3.999796       108.8400 
 1667   0.0000       4.002840       108.9228 
 1668   0.0000       4.004319       108.9631 
 1669   0.0000       4.005842       109.0045 
 1670   0.0000       4.007346       109.0454 
 1671   0.0000       4.009029       109.0912 
 1672   0.0000       4.011493       109.1583 
 1673   0.0000       4.013702       109.2184 
 1674   0.0000       4.015400       109.2646 
 1675   0.0000       4.018207       109.3410 
 1676   0.0000       4.019119       109.3658 
 1677   0.0000       4.020916       109.4147 
 1678   0.0000       4.022944       109.4699 
 1679   0.0000       4.024461       109.5111 
 1680   0.0000       4.027915       109.6051 
 1681   0.0000       4.028623       109.6244 
 1682   0.0000       4.029788       109.6561 
 1683   0.0000       4.031470       109.7019 
 1684   0.0000       4.032498       109.7298 
 1685   0.0000       4.033390       109.7541 
 1686   0.0000       4.034410       109.7819 
 1687   0.0000       4.036275       109.8326 
 1688   0.0000       4.039732       109.9267 
 1689   0.0000       4.040904       109.9586 
 1690   0.0000       4.043101       110.0184 
 1691   0.0000       4.045818       110.0923 
 1692   0.0000       4.047194       110.1297 
 1693   0.0000       4.048909       110.1764 
 1694   0.0000       4.049103       110.1817 
 1695   0.0000       4.052928       110.2858 
 1696   0.0000       4.055363       110.3520 
 1697   0.0000       4.056983       110.3961 
 1698   0.0000       4.057626       110.4136 
 1699   0.0000       4.059728       110.4708 
 1700   0.0000       4.062309       110.5411 
 1701   0.0000       4.064335       110.5962 
 1702   0.0000       4.065850       110.6374 
 1703   0.0000       4.071163       110.7820 
 1704   0.0000       4.072342       110.8140 
 1705   0.0000       4.073303       110.8402 
 1706   0.0000       4.076273       110.9210 
 1707   0.0000       4.081952       111.0756 
 1708   0.0000       4.083541       111.1188 
 1709   0.0000       4.086005       111.1858 
 1710   0.0000       4.087441       111.2249 
 1711   0.0000       4.090789       111.3160 
 1712   0.0000       4.092215       111.3548 
 1713   0.0000       4.092884       111.3730 
 1714   0.0000       4.093271       111.3836 
 1715   0.0000       4.094725       111.4231 
 1716   0.0000       4.095412       111.4418 
 1717   0.0000       4.100617       111.5835 
 1718   0.0000       4.101811       111.6160 
 1719   0.0000       4.104697       111.6945 
 1720   0.0000       4.106568       111.7454 
 1721   0.0000       4.106703       111.7491 
 1722   0.0000       4.111158       111.8703 
 1723   0.0000       4.111986       111.8928 
 1724   0.0000       4.112394       111.9039 
 1725   0.0000       4.114004       111.9477 
 1726   0.0000       4.115710       111.9942 
 1727   0.0000       4.118267       112.0637 
 1728   0.0000       4.121352       112.1477 
 1729   0.0000       4.123504       112.2063 
 1730   0.0000       4.127655       112.3192 
 1731   0.0000       4.132715       112.4569 
 1732   0.0000       4.135079       112.5212 
 1733   0.0000       4.137051       112.5749 
 1734   0.0000       4.140156       112.6594 
 1735   0.0000       4.144324       112.7728 
 1736   0.0000       4.144854       112.7872 
 1737   0.0000       4.146562       112.8337 
 1738   0.0000       4.149768       112.9209 
 1739   0.0000       4.152770       113.0026 
 1740   0.0000       4.154867       113.0597 
 1741   0.0000       4.155910       113.0880 
 1742   0.0000       4.158940       113.1705 
 1743   0.0000       4.160311       113.2078 
 1744   0.0000       4.161588       113.2426 
 1745   0.0000       4.162585       113.2697 
 1746   0.0000       4.166814       113.3848 
 1747   0.0000       4.170696       113.4904 
 1748   0.0000       4.173789       113.5746 
 1749   0.0000       4.174538       113.5950 
 1750   0.0000       4.179864       113.7399 
 1751   0.0000       4.181473       113.7837 
 1752   0.0000       4.187260       113.9411 
 1753   0.0000       4.189282       113.9962 
 1754   0.0000       4.194608       114.1411 
 1755   0.0000       4.197952       114.2321 
 1756   0.0000       4.200189       114.2929 
 1757   0.0000       4.201785       114.3364 
 1758   0.0000       4.203071       114.3714 
 1759   0.0000       4.206962       114.4773 
 1760   0.0000       4.209376       114.5429 
 1761   0.0000       4.212271       114.6217 
 1762   0.0000       4.216262       114.7303 
 1763   0.0000       4.217831       114.7730 
 1764   0.0000       4.221326       114.8681 
 1765   0.0000       4.223112       114.9167 
 1766   0.0000       4.224230       114.9471 
 1767   0.0000       4.226511       115.0092 
 1768   0.0000       4.229243       115.0835 
 1769   0.0000       4.231331       115.1404 
 1770   0.0000       4.235307       115.2485 
 1771   0.0000       4.236238       115.2739 
 1772   0.0000       4.238921       115.3469 
 1773   0.0000       4.241632       115.4207 
 1774   0.0000       4.245033       115.5132 
 1775   0.0000       4.246551       115.5545 
 1776   0.0000       4.249353       115.6308 
 1777   0.0000       4.251281       115.6832 
 1778   0.0000       4.254358       115.7670 
 1779   0.0000       4.259165       115.8978 
 1780   0.0000       4.262326       115.9838 
 1781   0.0000       4.264774       116.0504 
 1782   0.0000       4.265601       116.0729 
 1783   0.0000       4.269064       116.1671 
 1784   0.0000       4.270908       116.2173 
 1785   0.0000       4.275628       116.3458 
 1786   0.0000       4.279310       116.4459 
 1787   0.0000       4.283071       116.5483 
 1788   0.0000       4.284956       116.5996 
 1789   0.0000       4.287780       116.6764 
 1790   0.0000       4.290857       116.7601 
 1791   0.0000       4.297134       116.9309 
 1792   0.0000       4.297927       116.9526 
 1793   0.0000       4.302609       117.0799 
 1794   0.0000       4.310048       117.2824 
 1795   0.0000       4.310305       117.2894 
 1796   0.0000       4.314934       117.4153 
 1797   0.0000       4.317561       117.4868 
 1798   0.0000       4.323815       117.6570 
 1799   0.0000       4.328055       117.7724 
 1800   0.0000       4.330017       117.8257 
 1801   0.0000       4.330666       117.8434 
 1802   0.0000       4.335576       117.9770 
 1803   0.0000       4.337454       118.0281 
 1804   0.0000       4.341586       118.1406 
 1805   0.0000       4.345774       118.2545 
 1806   0.0000       4.348472       118.3279 
 1807   0.0000       4.352447       118.4361 
 1808   0.0000       4.354284       118.4861 
 1809   0.0000       4.362368       118.7061 
 1810   0.0000       4.363420       118.7347 
 1811   0.0000       4.367128       118.8356 
 1812   0.0000       4.370186       118.9188 
 1813   0.0000       4.377168       119.1088 
 1814   0.0000       4.380635       119.2031 
 1815   0.0000       4.386051       119.3505 
 1816   0.0000       4.389480       119.4438 
 1817   0.0000       4.394291       119.5747 
 1818   0.0000       4.396355       119.6309 
 1819   0.0000       4.402282       119.7922 
 1820   0.0000       4.407862       119.9440 
 1821   0.0000       4.413883       120.1079 
 1822   0.0000       4.420368       120.2843 
 1823   0.0000       4.424680       120.4017 
 1824   0.0000       4.429384       120.5297 
 1825   0.0000       4.432379       120.6112 
 1826   0.0000       4.439202       120.7968 
 1827   0.0000       4.444785       120.9488 
 1828   0.0000       4.447717       121.0285 
 1829   0.0000       4.456360       121.2637 
 1830   0.0000       4.458696       121.3273 
 1831   0.0000       4.464209       121.4773 
 1832   0.0000       4.467576       121.5689 
 1833   0.0000       4.471741       121.6823 
 1834   0.0000       4.477516       121.8394 
 1835   0.0000       4.488738       122.1448 
 1836   0.0000       4.492196       122.2389 
 1837   0.0000       4.497297       122.3777 
 1838   0.0000       4.502787       122.5271 
 1839   0.0000       4.507532       122.6562 
 1840   0.0000       4.513826       122.8275 
 1841   0.0000       4.517473       122.9267 
 1842   0.0000       4.525684       123.1501 
 1843   0.0000       4.530550       123.2825 
 1844   0.0000       4.533792       123.3708 
 1845   0.0000       4.541028       123.5676 
 1846   0.0000       4.550222       123.8178 
 1847   0.0000       4.553980       123.9201 
 1848   0.0000       4.558114       124.0326 
 1849   0.0000       4.565682       124.2385 
 1850   0.0000       4.568343       124.3109 
 1851   0.0000       4.574580       124.4806 
 1852   0.0000       4.586772       124.8124 
 1853   0.0000       4.590168       124.9048 
 1854   0.0000       4.594890       125.0333 
 1855   0.0000       4.601809       125.2216 
 1856   0.0000       4.608667       125.4082 
 1857   0.0000       4.609153       125.4214 
 1858   0.0000       4.614627       125.5704 
 1859   0.0000       4.621273       125.7512 
 1860   0.0000       4.629625       125.9785 
 1861   0.0000       4.638462       126.2190 
 1862   0.0000       4.644264       126.3769 
 1863   0.0000       4.647492       126.4647 
 1864   0.0000       4.649657       126.5236 
 1865   0.0000       4.655671       126.6873 
 1866   0.0000       4.659096       126.7805 
 1867   0.0000       4.665098       126.9438 
 1868   0.0000       4.666879       126.9922 
 1869   0.0000       4.672391       127.1422 
 1870   0.0000       4.677719       127.2872 
 1871   0.0000       4.679995       127.3491 
 1872   0.0000       4.682680       127.4222 
 1873   0.0000       4.686650       127.5302 
 1874   0.0000       4.688043       127.5681 
 1875   0.0000       4.690719       127.6410 
 1876   0.0000       4.700303       127.9017 
 1877   0.0000       4.701743       127.9409 
 1878   0.0000       4.704769       128.0233 
 1879   0.0000       4.710325       128.1745 
 1880   0.0000       4.711100       128.1956 
 1881   0.0000       4.716824       128.3513 
 1882   0.0000       4.722576       128.5078 
 1883   0.0000       4.726240       128.6075 
 1884   0.0000       4.730298       128.7179 
 1885   0.0000       4.733480       128.8045 
 1886   0.0000       4.735752       128.8664 
 1887   0.0000       4.736957       128.8992 
 1888   0.0000       4.741209       129.0149 
 1889   0.0000       4.741793       129.0307 
 1890   0.0000       4.746124       129.1486 
 1891   0.0000       4.747489       129.1857 
 1892   0.0000       4.750486       129.2673 
 1893   0.0000       4.752563       129.3238 
 1894   0.0000       4.761227       129.5596 
 1895   0.0000       4.762560       129.5958 
 1896   0.0000       4.763750       129.6282 
 1897   0.0000       4.766010       129.6897 
 1898   0.0000       4.767462       129.7292 
 1899   0.0000       4.771608       129.8420 
 1900   0.0000       4.774046       129.9084 
 1901   0.0000       4.774904       129.9317 
 1902   0.0000       4.779562       130.0585 
 1903   0.0000       4.781654       130.1154 
 1904   0.0000       4.785151       130.2106 
 1905   0.0000       4.787991       130.2878 
 1906   0.0000       4.790144       130.3464 
 1907   0.0000       4.795992       130.5056 
 1908   0.0000       4.797197       130.5384 
 1909   0.0000       4.803804       130.7181 
 1910   0.0000       4.805282       130.7584 
 1911   0.0000       4.805416       130.7620 
 1912   0.0000       4.810619       130.9036 
 1913   0.0000       4.811071       130.9159 
 1914   0.0000       4.812936       130.9666 
 1915   0.0000       4.816149       131.0541 
 1916   0.0000       4.816665       131.0681 
 1917   0.0000       4.822591       131.2294 
 1918   0.0000       4.824528       131.2821 
 1919   0.0000       4.825109       131.2979 
 1920   0.0000       4.827444       131.3614 
 1921   0.0000       4.828604       131.3930 
 1922   0.0000       4.831828       131.4807 
 1923   0.0000       4.833058       131.5142 
 1924   0.0000       4.836033       131.5952 
 1925   0.0000       4.837162       131.6259 
 1926   0.0000       4.838295       131.6567 
 1927   0.0000       4.844029       131.8127 
 1928   0.0000       4.845038       131.8402 
 1929   0.0000       4.847032       131.8944 
 1930   0.0000       4.850462       131.9878 
 1931   0.0000       4.853578       132.0726 
 1932   0.0000       4.854563       132.0994 
 1933   0.0000       4.857767       132.1866 
 1934   0.0000       4.862404       132.3127 
 1935   0.0000       4.863898       132.3534 
 1936   0.0000       4.865259       132.3904 
 1937   0.0000       4.866944       132.4363 
 1938   0.0000       4.871213       132.5524 
 1939   0.0000       4.876524       132.6970 
 1940   0.0000       4.879113       132.7674 
 1941   0.0000       4.885158       132.9319 
 1942   0.0000       4.888397       133.0200 
 1943   0.0000       4.888967       133.0356 
 1944   0.0000       4.891160       133.0952 
 1945   0.0000       4.892368       133.1281 
 1946   0.0000       4.895476       133.2127 
 1947   0.0000       4.896599       133.2432 
 1948   0.0000       4.899018       133.3091 
 1949   0.0000       4.902110       133.3932 
 1950   0.0000       4.904869       133.4683 
 1951   0.0000       4.911901       133.6596 
 1952   0.0000       4.913759       133.7102 
 1953   0.0000       4.916570       133.7867 
 1954   0.0000       4.921149       133.9113 
 1955   0.0000       4.923692       133.9805 
 1956   0.0000       4.926401       134.0542 
 1957   0.0000       4.928159       134.1020 
 1958   0.0000       4.934300       134.2691 
 1959   0.0000       4.938870       134.3935 
 1960   0.0000       4.940899       134.4487 
 1961   0.0000       4.943748       134.5262 
 1962   0.0000       4.947453       134.6270 
 1963   0.0000       4.954993       134.8322 
 1964   0.0000       4.957109       134.8898 
 1965   0.0000       4.958760       134.9347 
 1966   0.0000       4.962152       135.0270 
 1967   0.0000       4.963770       135.0711 
 1968   0.0000       4.966183       135.1367 
 1969   0.0000       4.971931       135.2931 
 1970   0.0000       4.976606       135.4203 
 1971   0.0000       4.979204       135.4910 
 1972   0.0000       4.983933       135.6197 
 1973   0.0000       4.988301       135.7386 
 1974   0.0000       4.992189       135.8444 
 1975   0.0000       4.995769       135.9418 
 1976   0.0000       5.007163       136.2518 
 1977   0.0000       5.011553       136.3713 
 1978   0.0000       5.011974       136.3827 
 1979   0.0000       5.017479       136.5325 
 1980   0.0000       5.019884       136.5980 
 1981   0.0000       5.026898       136.7889 
 1982   0.0000       5.029241       136.8526 
 1983   0.0000       5.039466       137.1308 
 1984   0.0000       5.042445       137.2119 
 1985   0.0000       5.045782       137.3027 
 1986   0.0000       5.047591       137.3519 
 1987   0.0000       5.054316       137.5349 
 1988   0.0000       5.055624       137.5705 
 1989   0.0000       5.061491       137.7302 
 1990   0.0000       5.067332       137.8891 
 1991   0.0000       5.069756       137.9551 
 1992   0.0000       5.074931       138.0959 
 1993   0.0000       5.078063       138.1811 
 1994   0.0000       5.081906       138.2857 
 1995   0.0000       5.083452       138.3278 
 1996   0.0000       5.086291       138.4050 
 1997   0.0000       5.088942       138.4771 
 1998   0.0000       5.092293       138.5683 
 1999   0.0000       5.095830       138.6646 
 2000   0.0000       5.101403       138.8162 
 2001   0.0000       5.102483       138.8456 
 2002   0.0000       5.108527       139.0101 
 2003   0.0000       5.109380       139.0333 
 2004   0.0000       5.113289       139.1397 
 2005   0.0000       5.115877       139.2101 
 2006   0.0000       5.117691       139.2595 
 2007   0.0000       5.122035       139.3776 
 2008   0.0000       5.127782       139.5340 
 2009   0.0000       5.133737       139.6961 
 2010   0.0000       5.134825       139.7257 
 2011   0.0000       5.141343       139.9031 
 2012   0.0000       5.143673       139.9665 
 2013   0.0000       5.147547       140.0719 
 2014   0.0000       5.152439       140.2050 
 2015   0.0000       5.158823       140.3787 
 2016   0.0000       5.160357       140.4205 
 2017   0.0000       5.162389       140.4757 
 2018   0.0000       5.168116       140.6316 
 2019   0.0000       5.175682       140.8375 
 2020   0.0000       5.189960       141.2260 
 2021   0.0000       5.193066       141.3105 
 2022   0.0000       5.198388       141.4553 
 2023   0.0000       5.203049       141.5822 
 2024   0.0000       5.210280       141.7789 
 2025   0.0000       5.212252       141.8326 
 2026   0.0000       5.223221       142.1311 
 2027   0.0000       5.223379       142.1354 
 2028   0.0000       5.229676       142.3067 
 2029   0.0000       5.231983       142.3695 
 2030   0.0000       5.238773       142.5542 
 2031   0.0000       5.249126       142.8360 
 2032   0.0000       5.251274       142.8944 
 2033   0.0000       5.253506       142.9552 
 2034   0.0000       5.266825       143.3176 
 2035   0.0000       5.275528       143.5544 
 2036   0.0000       5.276969       143.5936 
 2037   0.0000       5.283015       143.7581 
 2038   0.0000       5.290971       143.9746 
 2039   0.0000       5.300302       144.2285 
 2040   0.0000       5.306145       144.3875 
 2041   0.0000       5.313228       144.5803 
 2042   0.0000       5.317663       144.7010 
 2043   0.0000       5.329531       145.0239 
 2044   0.0000       5.343451       145.4027 
 2045   0.0000       5.350795       145.6025 
 2046   0.0000       5.353635       145.6798 
 2047   0.0000       5.369907       146.1226 
 2048   0.0000       5.373944       146.2324 
 2049   0.0000       5.382498       146.4652 
 2050   0.0000       5.390363       146.6792 
 2051   0.0000       5.392313       146.7323 
 2052   0.0000       5.400918       146.9664 
 2053   0.0000       5.409813       147.2085 
 2054   0.0000       5.419542       147.4732 
 2055   0.0000       5.422496       147.5536 
 2056   0.0000       5.425847       147.6448 
 2057   0.0000       5.432899       147.8367 
 2058   0.0000       5.443165       148.1161 
 2059   0.0000       5.454372       148.4210 
 2060   0.0000       5.463525       148.6701 
 2061   0.0000       5.468963       148.8180 
 2062   0.0000       5.487257       149.3159 
 2063   0.0000       5.491750       149.4381 
 2064   0.0000       5.505414       149.8099 
 2065   0.0000       5.519044       150.1808 
 2066   0.0000       5.526448       150.3823 
 2067   0.0000       5.535048       150.6163 
 2068   0.0000       5.536859       150.6656 
 2069   0.0000       5.543647       150.8503 
 2070   0.0000       5.549514       151.0100 
 2071   0.0000       5.557737       151.2337 
 2072   0.0000       5.572694       151.6407 
 2073   0.0000       5.576187       151.7358 
 2074   0.0000       5.580491       151.8529 
 2075   0.0000       5.604602       152.5090 
 2076   0.0000       5.615544       152.8067 
 2077   0.0000       5.621651       152.9729 
 2078   0.0000       5.637221       153.3966 
 2079   0.0000       5.642138       153.5304 
 2080   0.0000       5.659367       153.9992 
 2081   0.0000       5.665449       154.1647 
 2082   0.0000       5.667738       154.2270 
 2083   0.0000       5.682771       154.6361 
 2084   0.0000       5.686552       154.7389 
 2085   0.0000       5.696705       155.0152 
 2086   0.0000       5.697863       155.0467 
 2087   0.0000       5.704636       155.2310 
 2088   0.0000       5.711119       155.4074 
 2089   0.0000       5.717684       155.5861 
 2090   0.0000       5.721117       155.6795 
 2091   0.0000       5.738721       156.1585 
 2092   0.0000       5.750955       156.4914 
 2093   0.0000       5.759322       156.7191 
 2094   0.0000       5.763650       156.8369 
 2095   0.0000       5.770583       157.0256 
 2096   0.0000       5.778463       157.2400 
 2097   0.0000       5.787872       157.4960 
 2098   0.0000       5.790122       157.5572 
 2099   0.0000       5.798879       157.7955 
 2100   0.0000       5.799635       157.8161 
 2101   0.0000       5.810991       158.1251 
 2102   0.0000       5.818410       158.3270 
 2103   0.0000       5.822703       158.4438 
 2104   0.0000       5.832994       158.7238 
 2105   0.0000       5.849359       159.1691 
 2106   0.0000       5.874883       159.8637 
 2107   0.0000       5.885697       160.1579 
 2108   0.0000       5.895738       160.4312 
 2109   0.0000       5.916851       161.0057 
 2110   0.0000       5.927096       161.2845 
 2111   0.0000       5.937096       161.5566 
 2112   0.0000       5.941177       161.6676 
 2113   0.0000       5.954723       162.0363 
 2114   0.0000       5.957910       162.1230 
 2115   0.0000       5.966057       162.3447 
 2116   0.0000       5.972206       162.5120 
 2117   0.0000       5.979838       162.7197 
 2118   0.0000       5.987091       162.9170 
 2119   0.0000       5.994361       163.1149 
 2120   0.0000       5.996976       163.1860 
 2121   0.0000       6.000264       163.2755 
 2122   0.0000       6.004130       163.3807 
 2123   0.0000       6.004681       163.3957 
 2124   0.0000       6.010866       163.5640 
 2125   0.0000       6.015894       163.7008 
 2126   0.0000       6.019889       163.8095 
 2127   0.0000       6.023320       163.9029 
 2128   0.0000       6.024896       163.9457 
 2129   0.0000       6.025674       163.9669 
 2130   0.0000       6.036901       164.2724 
 2131   0.0000       6.046223       164.5261 
 2132   0.0000       6.048560       164.5897 
 2133   0.0000       6.055941       164.7905 
 2134   0.0000       6.057989       164.8463 
 2135   0.0000       6.059307       164.8821 
 2136   0.0000       6.061190       164.9334 
 2137   0.0000       6.062231       164.9617 
 2138   0.0000       6.068560       165.1339 
 2139   0.0000       6.074348       165.2914 
 2140   0.0000       6.077417       165.3749 
 2141   0.0000       6.081752       165.4929 
 2142   0.0000       6.082955       165.5256 
 2143   0.0000       6.088581       165.6787 
 2144   0.0000       6.092709       165.7910 
 2145   0.0000       6.094344       165.8355 
 2146   0.0000       6.095884       165.8774 
 2147   0.0000       6.097885       165.9319 
 2148   0.0000       6.102208       166.0495 
 2149   0.0000       6.111485       166.3020 
 2150   0.0000       6.113192       166.3484 
 2151   0.0000       6.116874       166.4486 
 2152   0.0000       6.119337       166.5156 
 2153   0.0000       6.123232       166.6216 
 2154   0.0000       6.128870       166.7750 
 2155   0.0000       6.130878       166.8297 
 2156   0.0000       6.137380       167.0066 
 2157   0.0000       6.138946       167.0492 
 2158   0.0000       6.144294       167.1947 
 2159   0.0000       6.148550       167.3105 
 2160   0.0000       6.158982       167.5944 
 2161   0.0000       6.163808       167.7258 
 2162   0.0000       6.167017       167.8131 
 2163   0.0000       6.170478       167.9073 
 2164   0.0000       6.178093       168.1145 
 2165   0.0000       6.186293       168.3376 
 2166   0.0000       6.196062       168.6034 
 2167   0.0000       6.200397       168.7214 
 2168   0.0000       6.209946       168.9812 
 2169   0.0000       6.212751       169.0575 
 2170   0.0000       6.224575       169.3793 
 2171   0.0000       6.233479       169.6216 
 2172   0.0000       6.243973       169.9071 
 2173   0.0000       6.247742       170.0097 
 2174   0.0000       6.253703       170.1719 
 2175   0.0000       6.257498       170.2752 
 2176   0.0000       6.261478       170.3835 
 2177   0.0000       6.270701       170.6344 
 2178   0.0000       6.276487       170.7919 
 2179   0.0000       6.284336       171.0055 
 2180   0.0000       6.286533       171.0652 
 2181   0.0000       6.292766       171.2349 
 2182   0.0000       6.294128       171.2719 
 2183   0.0000       6.307541       171.6369 
 2184   0.0000       6.309354       171.6863 
 2185   0.0000       6.314811       171.8348 
 2186   0.0000       6.322777       172.0515 
 2187   0.0000       6.328996       172.2207 
 2188   0.0000       6.349763       172.7858 
 2189   0.0000       6.352521       172.8609 
 2190   0.0000       6.356515       172.9696 
 2191   0.0000       6.362137       173.1226 
 2192   0.0000       6.363181       173.1510 
 2193   0.0000       6.366776       173.2488 
 2194   0.0000       6.367357       173.2646 
 2195   0.0000       6.371463       173.3763 
 2196   0.0000       6.373424       173.4297 
 2197   0.0000       6.375684       173.4912 
 2198   0.0000       6.382610       173.6797 
 2199   0.0000       6.390003       173.8808 
 2200   0.0000       6.391497       173.9215 
 2201   0.0000       6.402802       174.2291 
 2202   0.0000       6.410323       174.4337 
 2203   0.0000       6.420766       174.7179 
 2204   0.0000       6.426090       174.8628 
 2205   0.0000       6.429795       174.9636 
 2206   0.0000       6.456840       175.6996 
 2207   0.0000       6.458491       175.7445 
 2208   0.0000       6.465125       175.9250 
 2209   0.0000       6.472160       176.1164 
 2210   0.0000       6.479264       176.3097 
 2211   0.0000       6.483126       176.4148 
 2212   0.0000       6.489860       176.5981 
 2213   0.0000       6.514801       177.2768 
 2214   0.0000       6.523780       177.5211 
 2215   0.0000       6.525026       177.5550 
 2216   0.0000       6.529532       177.6776 
 2217   0.0000       6.530187       177.6954 
 2218   0.0000       6.535772       177.8474 
 2219   0.0000       6.538935       177.9335 
 2220   0.0000       6.546454       178.1381 
 2221   0.0000       6.549142       178.2112 
 2222   0.0000       6.551699       178.2808 
 2223   0.0000       6.555946       178.3964 
 2224   0.0000       6.558606       178.4688 
 2225   0.0000       6.564219       178.6215 
 2226   0.0000       6.566636       178.6873 
 2227   0.0000       6.567287       178.7050 
 2228   0.0000       6.573575       178.8761 
 2229   0.0000       6.579747       179.0440 
 2230   0.0000       6.581544       179.0929 
 2231   0.0000       6.588567       179.2840 
 2232   0.0000       6.591019       179.3507 
 2233   0.0000       6.592389       179.3880 
 2234   0.0000       6.593767       179.4255 
 2235   0.0000       6.594742       179.4520 
 2236   0.0000       6.597698       179.5325 
 2237   0.0000       6.601566       179.6377 
 2238   0.0000       6.604288       179.7118 
 2239   0.0000       6.608822       179.8352 
 2240   0.0000       6.609783       179.8613 
 2241   0.0000       6.610222       179.8733 
 2242   0.0000       6.612088       179.9241 
 2243   0.0000       6.614181       179.9810 
 2244   0.0000       6.616066       180.0323 
 2245   0.0000       6.618459       180.0974 
 2246   0.0000       6.619257       180.1191 
 2247   0.0000       6.620553       180.1544 
 2248   0.0000       6.623762       180.2417 
 2249   0.0000       6.625520       180.2896 
 2250   0.0000       6.627695       180.3487 
 2251   0.0000       6.628585       180.3730 
 2252   0.0000       6.630005       180.4116 
 2253   0.0000       6.632654       180.4837 
 2254   0.0000       6.633865       180.5167 
 2255   0.0000       6.635530       180.5619 
 2256   0.0000       6.636226       180.5809 
 2257   0.0000       6.637730       180.6218 
 2258   0.0000       6.640893       180.7079 
 2259   0.0000       6.642465       180.7507 
 2260   0.0000       6.644830       180.8150 
 2261   0.0000       6.645168       180.8242 
 2262   0.0000       6.648327       180.9102 
 2263   0.0000       6.649206       180.9341 
 2264   0.0000       6.656162       181.1234 
 2265   0.0000       6.658108       181.1763 
 2266   0.0000       6.659486       181.2138 
 2267   0.0000       6.660630       181.2450 
 2268   0.0000       6.664996       181.3637 
 2269   0.0000       6.666723       181.4108 
 2270   0.0000       6.667669       181.4365 
 2271   0.0000       6.670135       181.5036 
 2272   0.0000       6.670729       181.5198 
 2273   0.0000       6.671998       181.5543 
 2274   0.0000       6.673674       181.5999 
 2275   0.0000       6.674342       181.6181 
 2276   0.0000       6.677529       181.7048 
 2277   0.0000       6.679687       181.7635 
 2278   0.0000       6.681399       181.8101 
 2279   0.0000       6.683468       181.8664 
 2280   0.0000       6.684698       181.8999 
 2281   0.0000       6.690395       182.0549 
 2282   0.0000       6.691143       182.0753 
 2283   0.0000       6.693844       182.1488 
 2284   0.0000       6.696797       182.2291 
 2285   0.0000       6.700159       182.3206 
 2286   0.0000       6.701973       182.3700 
 2287   0.0000       6.704083       182.4274 
 2288   0.0000       6.705580       182.4681 
 2289   0.0000       6.709568       182.5766 
 2290   0.0000       6.711552       182.6306 
 2291   0.0000       6.714353       182.7068 
 2292   0.0000       6.715264       182.7316 
 2293   0.0000       6.716229       182.7579 
 2294   0.0000       6.716999       182.7788 
 2295   0.0000       6.718780       182.8273 
 2296   0.0000       6.719735       182.8533 
 2297   0.0000       6.723279       182.9497 
 2298   0.0000       6.723721       182.9617 
 2299   0.0000       6.726891       183.0480 
 2300   0.0000       6.727123       183.0543 
 2301   0.0000       6.729067       183.1072 
 2302   0.0000       6.729924       183.1305 
 2303   0.0000       6.730090       183.1350 
 2304   0.0000       6.733809       183.2363 
 2305   0.0000       6.736256       183.3028 
 2306   0.0000       6.740454       183.4171 
 2307   0.0000       6.742603       183.4756 
 2308   0.0000       6.743978       183.5130 
 2309   0.0000       6.748520       183.6366 
 2310   0.0000       6.749537       183.6642 
 2311   0.0000       6.752247       183.7380 
 2312   0.0000       6.753656       183.7763 
 2313   0.0000       6.753986       183.7853 
 2314   0.0000       6.757512       183.8812 
 2315   0.0000       6.758418       183.9059 
 2316   0.0000       6.759534       183.9363 
 2317   0.0000       6.762180       184.0083 
 2318   0.0000       6.764185       184.0628 
 2319   0.0000       6.764936       184.0833 
 2320   0.0000       6.766399       184.1231 
 2321   0.0000       6.768956       184.1927 
 2322   0.0000       6.772762       184.2962 
 2323   0.0000       6.773615       184.3194 
 2324   0.0000       6.775732       184.3770 
 2325   0.0000       6.777086       184.4139 
 2326   0.0000       6.778638       184.4561 
 2327   0.0000       6.784805       184.6239 
 2328   0.0000       6.790271       184.7727 
 2329   0.0000       6.791878       184.8164 
 2330   0.0000       6.793961       184.8731 
 2331   0.0000       6.796781       184.9498 
 2332   0.0000       6.799673       185.0285 
 2333   0.0000       6.803010       185.1193 
 2334   0.0000       6.806292       185.2086 
 2335   0.0000       6.808817       185.2773 
 2336   0.0000       6.812226       185.3701 
 2337   0.0000       6.815781       185.4668 
 2338   0.0000       6.816953       185.4987 
 2339   0.0000       6.818248       185.5340 
 2340   0.0000       6.820908       185.6063 
 2341   0.0000       6.824931       185.7158 
 2342   0.0000       6.826802       185.7667 
 2343   0.0000       6.828273       185.8068 
 2344   0.0000       6.829824       185.8490 
 2345   0.0000       6.833114       185.9385 
 2346   0.0000       6.834136       185.9663 
 2347   0.0000       6.837898       186.0687 
 2348   0.0000       6.839943       186.1243 
 2349   0.0000       6.841964       186.1793 
 2350   0.0000       6.844610       186.2513 
 2351   0.0000       6.850663       186.4160 
 2352   0.0000       6.852302       186.4606 
 2353   0.0000       6.853030       186.4804 
 2354   0.0000       6.858394       186.6264 
 2355   0.0000       6.862203       186.7300 
 2356   0.0000       6.866239       186.8399 
 2357   0.0000       6.869298       186.9231 
 2358   0.0000       6.869873       186.9388 
 2359   0.0000       6.872927       187.0219 
 2360   0.0000       6.874440       187.0630 
 2361   0.0000       6.875163       187.0827 
 2362   0.0000       6.880949       187.2401 
 2363   0.0000       6.882711       187.2881 
 2364   0.0000       6.885717       187.3699 
 2365   0.0000       6.887014       187.4052 
 2366   0.0000       6.889545       187.4741 
 2367   0.0000       6.892951       187.5667 
 2368   0.0000       6.895754       187.6430 
 2369   0.0000       6.899391       187.7420 
 2370   0.0000       6.900103       187.7613 
 2371   0.0000       6.906184       187.9268 
 2372   0.0000       6.909001       188.0035 
 2373   0.0000       6.912257       188.0921 
 2374   0.0000       6.913880       188.1363 
 2375   0.0000       6.923292       188.3924 
 2376   0.0000       6.926234       188.4724 
 2377   0.0000       6.927975       188.5198 
 2378   0.0000       6.930399       188.5857 
 2379   0.0000       6.932698       188.6483 
 2380   0.0000       6.936810       188.7602 
 2381   0.0000       6.937555       188.7805 
 2382   0.0000       6.940642       188.8645 
 2383   0.0000       6.945588       188.9991 
 2384   0.0000       6.953635       189.2180 
 2385   0.0000       6.955176       189.2600 
 2386   0.0000       6.956455       189.2948 
 2387   0.0000       6.959240       189.3705 
 2388   0.0000       6.963352       189.4825 
 2389   0.0000       6.968895       189.6333 
 2390   0.0000       6.974334       189.7813 
 2391   0.0000       6.979321       189.9170 
 2392   0.0000       6.984685       190.0629 
 2393   0.0000       6.988281       190.1608 
 2394   0.0000       6.990115       190.2107 
 2395   0.0000       6.997803       190.4199 
 2396   0.0000       7.004056       190.5901 
 2397   0.0000       7.005863       190.6392 
 2398   0.0000       7.007564       190.6855 
 2399   0.0000       7.011890       190.8032 
 2400   0.0000       7.014763       190.8814 
 2401   0.0000       7.019477       191.0097 
 2402   0.0000       7.025891       191.1842 
 2403   0.0000       7.047196       191.7640 
 2404   0.0000       7.048419       191.7972 
 2405   0.0000       7.054999       191.9763 
 2406   0.0000       7.068989       192.3570 
 2407   0.0000       7.070556       192.3996 
 2408   0.0000       7.081990       192.7107 
 2409   0.0000       7.088592       192.8904 
 2410   0.0000       7.095300       193.0729 
 2411   0.0000       7.102394       193.2660 
 2412   0.0000       7.112109       193.5303 
 2413   0.0000       7.123783       193.8480 
 2414   0.0000       7.134627       194.1431 
 2415   0.0000       7.146905       194.4772 
 2416   0.0000       7.150387       194.5719 
 2417   0.0000       7.154746       194.6905 
 2418   0.0000       7.160042       194.8347 
 2419   0.0000       7.169193       195.0837 
 2420   0.0000       7.174581       195.2303 
 2421   0.0000       7.187408       195.5793 
 2422   0.0000       7.201398       195.9600 
 2423   0.0000       7.213132       196.2793 
 2424   0.0000       7.219353       196.4486 
 2425   0.0000       7.225643       196.6198 
 2426   0.0000       7.232348       196.8022 
 2427   0.0000       7.237241       196.9353 
 2428   0.0000       7.243408       197.1032 
 2429   0.0000       7.249430       197.2670 
 2430   0.0000       7.251935       197.3352 
 2431   0.0000       7.257352       197.4826 
 2432   0.0000       7.262694       197.6279 
 2433   0.0000       7.268448       197.7845 
 2434   0.0000       7.274000       197.9356 
 2435   0.0000       7.281011       198.1264 
 2436   0.0000       7.282544       198.1681 
 2437   0.0000       7.293699       198.4716 
 2438   0.0000       7.295254       198.5140 
 2439   0.0000       7.300135       198.6468 
 2440   0.0000       7.309033       198.8889 
 2441   0.0000       7.309873       198.9117 
 2442   0.0000       7.318948       199.1587 
 2443   0.0000       7.320320       199.1960 
 2444   0.0000       7.320889       199.2115 
 2445   0.0000       7.327076       199.3799 
 2446   0.0000       7.330227       199.4656 
 2447   0.0000       7.334693       199.5871 
 2448   0.0000       7.343232       199.8195 
 2449   0.0000       7.347128       199.9255 
 2450   0.0000       7.354072       200.1145 
 2451   0.0000       7.359531       200.2630 
 2452   0.0000       7.362175       200.3350 
 2453   0.0000       7.365548       200.4267 
 2454   0.0000       7.372683       200.6209 
 2455   0.0000       7.378480       200.7786 
 2456   0.0000       7.383552       200.9167 
 2457   0.0000       7.386237       200.9897 
 2458   0.0000       7.396248       201.2622 
 2459   0.0000       7.401082       201.3937 
 2460   0.0000       7.406983       201.5542 
 2461   0.0000       7.416786       201.8210 
 2462   0.0000       7.417393       201.8375 
 2463   0.0000       7.422068       201.9647 
 2464   0.0000       7.427627       202.1160 
 2465   0.0000       7.430522       202.1948 
 2466   0.0000       7.431343       202.2171 
 2467   0.0000       7.438524       202.4125 
 2468   0.0000       7.442440       202.5191 
 2469   0.0000       7.448286       202.6782 
 2470   0.0000       7.450816       202.7470 
 2471   0.0000       7.452151       202.7833 
 2472   0.0000       7.453218       202.8124 
 2473   0.0000       7.464188       203.1109 
 2474   0.0000       7.465588       203.1490 
 2475   0.0000       7.468392       203.2253 
 2476   0.0000       7.471970       203.3226 
 2477   0.0000       7.481765       203.5892 
 2478   0.0000       7.490627       203.8303 
 2479   0.0000       7.496385       203.9870 
 2480   0.0000       7.500548       204.1003 
 2481   0.0000       7.504989       204.2211 
 2482   0.0000       7.510892       204.3818 
 2483   0.0000       7.528941       204.8729 
 2484   0.0000       7.532539       204.9708 
 2485   0.0000       7.543873       205.2792 
 2486   0.0000       7.548417       205.4029 
 2487   0.0000       7.550796       205.4676 
 2488   0.0000       7.562076       205.7746 
 2489   0.0000       7.565003       205.8542 
 2490   0.0000       7.615344       207.2241 
 2491   0.0000       7.625749       207.5072 
 2492   0.0000       7.634265       207.7389 
 2493   0.0000       7.644552       208.0188 
 2494   0.0000       7.712217       209.8601 
 2495   0.0000       7.782472       211.7718 
 2496   0.0000       7.978305       217.1007 
 2497   0.0000       8.046376       218.9530 
 2498   0.0000       8.057860       219.2655 
 2499   0.0000       8.078289       219.8214 
 2500   0.0000       8.100615       220.4289 
 2501   0.0000       8.129410       221.2125 
 2502   0.0000       8.150458       221.7852 
 2503   0.0000       8.151328       221.8089 
 2504   0.0000       8.153255       221.8613 
 2505   0.0000       8.164002       222.1538 
 2506   0.0000       8.170039       222.3181 
 2507   0.0000       8.176910       222.5050 
 2508   0.0000       8.183647       222.6884 
 2509   0.0000       8.184595       222.7142 
 2510   0.0000       8.193981       222.9696 
 2511   0.0000       8.197988       223.0786 
 2512   0.0000       8.198613       223.0956 
 2513   0.0000       8.214945       223.5400 
 2514   0.0000       8.220842       223.7005 
 2515   0.0000       8.227951       223.8939 
 2516   0.0000       8.233674       224.0497 
 2517   0.0000       8.236744       224.1332 
 2518   0.0000       8.241499       224.2626 
 2519   0.0000       8.257778       224.7056 
 2520   0.0000       8.267699       224.9755 
 2521   0.0000       8.278873       225.2796 
 2522   0.0000       8.290362       225.5922 
 2523   0.0000       8.304066       225.9651 
 2524   0.0000       8.308836       226.0949 
 2525   0.0000       8.321141       226.4298 
 2526   0.0000       8.378312       227.9855 
 2527   0.0000      12.955486       352.5367 
 2528   0.0000      13.069228       355.6318 
 2529   0.0000      13.165769       358.2588 
 2530   0.0000      13.223353       359.8257 
 2531   0.0000      13.276508       361.2722 
 2532   0.0000      13.299610       361.9008 
 2533   0.0000      13.429102       365.4244 
 2534   0.0000      13.496222       367.2509 
 2535   0.0000      13.502930       367.4334 
 2536   0.0000      13.559333       368.9682 
 2537   0.0000      13.615381       370.4933 
 2538   0.0000      13.634480       371.0131 
 2539   0.0000      13.711072       373.0972 
 2540   0.0000      13.718757       373.3064 
 2541   0.0000      13.817035       375.9806 
 2542   0.0000      13.869784       377.4160 
 2543   0.0000      13.956007       379.7623 
 2544   0.0000      14.029066       381.7503 
 2545   0.0000      14.094930       383.5425 
 2546   0.0000      14.142521       384.8376 
 2547   0.0000      14.209874       386.6703 
 2548   0.0000      14.268453       388.2643 
 2549   0.0000      14.325331       389.8121 
 2550   0.0000      14.341618       390.2553 
 2551   0.0000      14.433021       392.7425 
 2552   0.0000      14.466158       393.6442 
 2553   0.0000      14.479540       394.0083 
 2554   0.0000      14.768785       401.8791 
 2555   0.0000      14.849162       404.0662 
 2556   0.0000      15.031934       409.0397 
 2557   0.0000      15.893258       432.4775 
 2558   0.0000      16.325904       444.2504 
 2559   0.0000      16.491419       448.7543 
 2560   0.0000      16.922967       460.4973 
 2561   0.0000      17.647684       480.2179 

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

-----------------------
MULLIKEN ATOMIC CHARGES
-----------------------
   0 C :   -0.303409
   1 H :    0.238049
   2 H :    0.183988
   3 C :   -0.082997
   4 H :    0.190441
   5 H :    0.130172
   6 C :   -0.167806
   7 H :    0.135593
   8 H :    0.176664
   9 C :   -0.215954
  10 H :    0.159008
  11 H :    0.187481
  12 O :   -0.612516
  13 H :    0.282661
  14 O :   -0.540107
  15 H :    0.189038
  16 O :   -0.522588
  17 H :    0.212420
  18 H :    0.296462
  19 O :   -0.540894
  20 H :    0.267213
  21 H :    0.238633
  22 O :   -0.611136
  23 H :    0.300541
  24 H :    0.302292
  25 O :   -0.625930
  26 H :    0.305591
  27 H :    0.314300
  28 O :   -0.680821
  29 H :    0.241395
  30 H :    0.356118
  31 O :   -0.599420
  32 H :    0.350904
  33 H :    0.265164
  34 O :   -0.558968
  35 H :    0.312131
  36 H :    0.262062
  37 O :   -0.595933
  38 H :    0.319063
  39 H :    0.304217
  40 O :   -0.464625
  41 H :    0.221011
  42 H :    0.237490
  43 O :   -0.542443
  44 H :    0.250476
  45 H :    0.304076
  46 O :   -0.677462
  47 H :    0.362111
  48 H :    0.296044
  49 O :   -0.488463
  50 H :    0.236579
  51 H :    0.265542
  52 O :   -0.485588
  53 H :    0.273028
  54 H :    0.207021
  55 O :   -0.595321
  56 H :    0.276995
  57 H :    0.299948
  58 O :   -0.548204
  59 H :    0.280629
  60 H :    0.310291
  61 O :   -0.527860
  62 H :    0.269531
  63 H :    0.259781
  64 O :   -0.562544
  65 H :    0.250768
  66 H :    0.312154
  67 O :   -0.567344
  68 H :    0.291935
  69 H :    0.328315
  70 O :   -0.545303
  71 H :    0.262691
  72 H :    0.287975
  73 O :   -0.550601
  74 H :    0.252308
  75 H :    0.324399
  76 O :   -0.545747
  77 H :    0.303422
  78 H :    0.256680
  79 O :   -0.627709
  80 H :    0.297513
  81 H :    0.324171
  82 O :   -0.621526
  83 H :    0.284682
  84 H :    0.332232
  85 O :   -0.554495
  86 H :    0.235005
  87 H :    0.351304
  88 O :   -0.633864
  89 H :    0.317330
  90 H :    0.321246
  91 O :   -0.670693
  92 H :    0.328058
  93 H :    0.311874
  94 O :   -0.430344
  95 H :    0.211788
  96 H :    0.222787
  97 O :   -0.560368
  98 H :    0.338631
  99 H :    0.248055
 100 O :   -0.592849
 101 H :    0.324315
 102 H :    0.260041
 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
Sum of atomic charges:    0.0000000


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

----------------------
LOEWDIN ATOMIC CHARGES
----------------------
   0 C :   -0.654721
   1 H :    0.165871
   2 H :    0.161320
   3 C :   -0.391397
   4 H :    0.179492
   5 H :    0.204779
   6 C :   -0.389789
   7 H :    0.174465
   8 H :    0.175314
   9 C :   -0.667406
  10 H :    0.181612
  11 H :    0.148588
  12 O :    0.279093
  13 H :   -0.007487
  14 O :    0.346880
  15 H :   -0.117432
  16 O :    0.234466
  17 H :   -0.147398
  18 H :   -0.101956
  19 O :    0.239818
  20 H :   -0.071518
  21 H :   -0.116586
  22 O :    0.318819
  23 H :   -0.113928
  24 H :   -0.113164
  25 O :    0.232310
  26 H :   -0.150235
  27 H :   -0.097441
  28 O :    0.191830
  29 H :   -0.163465
  30 H :   -0.142317
  31 O :    0.272375
  32 H :   -0.064241
  33 H :   -0.127118
  34 O :    0.274111
  35 H :   -0.067233
  36 H :   -0.190502
  37 O :    0.211960
  38 H :   -0.050331
  39 H :   -0.093227
  40 O :    0.216776
  41 H :   -0.086684
  42 H :   -0.161738
  43 O :    0.280299
  44 H :   -0.115576
  45 H :   -0.143668
  46 O :    0.216580
  47 H :   -0.085762
  48 H :   -0.195081
  49 O :    0.277046
  50 H :   -0.094995
  51 H :   -0.127738
  52 O :    0.285143
  53 H :   -0.127973
  54 H :   -0.164629
  55 O :    0.237074
  56 H :   -0.156444
  57 H :   -0.144016
  58 O :    0.223728
  59 H :   -0.043676
  60 H :   -0.099366
  61 O :    0.183921
  62 H :   -0.062536
  63 H :   -0.170586
  64 O :    0.231227
  65 H :   -0.191026
  66 H :   -0.138232
  67 O :    0.259486
  68 H :   -0.048186
  69 H :   -0.099693
  70 O :    0.213602
  71 H :   -0.148653
  72 H :   -0.081118
  73 O :    0.262709
  74 H :   -0.086115
  75 H :   -0.092417
  76 O :    0.235371
  77 H :   -0.063384
  78 H :   -0.183938
  79 O :    0.193000
  80 H :   -0.055030
  81 H :   -0.147591
  82 O :    0.192930
  83 H :   -0.116978
  84 H :   -0.158261
  85 O :    0.183869
  86 H :   -0.051736
  87 H :   -0.003238
  88 O :    0.226987
  89 H :   -0.154594
  90 H :   -0.055618
  91 O :    0.113944
  92 H :   -0.046344
  93 H :   -0.171392
  94 O :    0.306228
  95 H :   -0.086109
  96 H :   -0.149478
  97 O :    0.262080
  98 H :   -0.067865
  99 H :   -0.132149
 100 O :    0.189025
 101 H :   -0.114084
 102 H :   -0.121540
 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

-------------------------------
LOEWDIN REDUCED ORBITAL CHARGES
-------------------------------
  0 C s       :     2.567343  s :     2.567343
      pz      :     0.840716  p :     2.510542
      px      :     0.926358
      py      :     0.743469
      dz2     :     0.191322  d :     1.072807
      dxz     :     0.183548
      dyz     :     0.144247
      dx2y2   :     0.256802
      dxy     :     0.296889
      f0      :     0.044387  f :     0.504028
      f+1     :     0.033975
      f-1     :     0.076773
      f+2     :     0.075033
      f-2     :     0.053663
      f+3     :     0.117168
      f-3     :     0.103029
  1 H s       :     0.659161  s :     0.659161
      pz      :     0.045203  p :     0.146544
      px      :     0.052341
      py      :     0.048999
      dz2     :     0.005925  d :     0.028425
      dxz     :     0.004245
      dyz     :     0.005648
      dx2y2   :     0.006601
      dxy     :     0.006006
  2 H s       :     0.662804  s :     0.662804
      pz      :     0.070333  p :     0.146720
      px      :     0.042347
      py      :     0.034040
      dz2     :     0.010327  d :     0.029156
      dxz     :     0.008944
      dyz     :     0.007790
      dx2y2   :     0.001264
      dxy     :     0.000831
  3 C s       :     2.571161  s :     2.571161
      pz      :     0.830965  p :     2.582569
      px      :     0.894173
      py      :     0.857431
      dz2     :     0.171904  d :     0.870849
      dxz     :     0.146712
      dyz     :     0.118525
      dx2y2   :     0.198245
      dxy     :     0.235464
      f0      :     0.042839  f :     0.366818
      f+1     :     0.030739
      f-1     :     0.045566
      f+2     :     0.051760
      f-2     :     0.037521
      f+3     :     0.099564
      f-3     :     0.058830
  4 H s       :     0.650133  s :     0.650133
      pz      :     0.044185  p :     0.143429
      px      :     0.049856
      py      :     0.049388
      dz2     :     0.005413  d :     0.026945
      dxz     :     0.003868
      dyz     :     0.004669
      dx2y2   :     0.007004
      dxy     :     0.005991
  5 H s       :     0.631253  s :     0.631253
      pz      :     0.067377  p :     0.138108
      px      :     0.036634
      py      :     0.034096
      dz2     :     0.009236  d :     0.025860
      dxz     :     0.008035
      dyz     :     0.007536
      dx2y2   :     0.000741
      dxy     :     0.000312
  6 C s       :     2.560400  s :     2.560400
      pz      :     0.861949  p :     2.596164
      px      :     0.870458
      py      :     0.863758
      dz2     :     0.217896  d :     0.869213
      dxz     :     0.096601
      dyz     :     0.153009
      dx2y2   :     0.189771
      dxy     :     0.211937
      f0      :     0.031352  f :     0.364011
      f+1     :     0.038634
      f-1     :     0.068470
      f+2     :     0.049473
      f-2     :     0.036428
      f+3     :     0.083440
      f-3     :     0.056215
  7 H s       :     0.634083  s :     0.634083
      pz      :     0.082813  p :     0.163004
      px      :     0.043460
      py      :     0.036731
      dz2     :     0.010361  d :     0.028449
      dxz     :     0.008549
      dyz     :     0.007937
      dx2y2   :     0.000850
      dxy     :     0.000753
  8 H s       :     0.637122  s :     0.637122
      pz      :     0.042526  p :     0.157154
      px      :     0.067099
      py      :     0.047528
      dz2     :     0.003209  d :     0.030410
      dxz     :     0.007900
      dyz     :     0.001537
      dx2y2   :     0.009129
      dxy     :     0.008635
  9 C s       :     2.579487  s :     2.579487
      pz      :     0.844115  p :     2.523139
      px      :     0.908464
      py      :     0.770560
      dz2     :     0.267680  d :     1.069040
      dxz     :     0.126109
      dyz     :     0.197492
      dx2y2   :     0.226998
      dxy     :     0.250760
      f0      :     0.037018  f :     0.495740
      f+1     :     0.053816
      f-1     :     0.096410
      f+2     :     0.075060
      f-2     :     0.058883
      f+3     :     0.090832
      f-3     :     0.083721
 10 H s       :     0.665649  s :     0.665649
      pz      :     0.065286  p :     0.129322
      px      :     0.037760
      py      :     0.026275
      dz2     :     0.009128  d :     0.023417
      dxz     :     0.006991
      dyz     :     0.005287
      dx2y2   :     0.000823
      dxy     :     0.001188
 11 H s       :     0.669401  s :     0.669401
      pz      :     0.039881  p :     0.152614
      px      :     0.067612
      py      :     0.045121
      dz2     :     0.002865  d :     0.029396
      dxz     :     0.007202
      dyz     :     0.002142
      dx2y2   :     0.008701
      dxy     :     0.008486
 12 O s       :     3.121845  s :     3.121845
      pz      :     1.445376  p :     4.183853
      px      :     1.386939
      py      :     1.351538
      dz2     :     0.073305  d :     0.338203
      dxz     :     0.040242
      dyz     :     0.076569
      dx2y2   :     0.055058
      dxy     :     0.093029
      f0      :     0.007888  f :     0.077006
      f+1     :     0.002914
      f-1     :     0.018507
      f+2     :     0.011903
      f-2     :     0.012220
      f+3     :     0.013978
      f-3     :     0.009595
 13 H s       :     0.557859  s :     0.557859
      pz      :     0.127935  p :     0.360528
      px      :     0.145413
      py      :     0.087180
      dz2     :     0.016964  d :     0.089100
      dxz     :     0.022582
      dyz     :     0.011206
      dx2y2   :     0.020956
      dxy     :     0.017392
 14 O s       :     3.084966  s :     3.084966
      pz      :     1.320653  p :     4.161723
      px      :     1.491354
      py      :     1.349715
      dz2     :     0.074545  d :     0.331993
      dxz     :     0.031574
      dyz     :     0.087925
      dx2y2   :     0.060336
      dxy     :     0.077613
      f0      :     0.007325  f :     0.074438
      f+1     :     0.005054
      f-1     :     0.017289
      f+2     :     0.011996
      f-2     :     0.005281
      f+3     :     0.014958
      f-3     :     0.012534
 15 H s       :     0.588888  s :     0.588888
      pz      :     0.201794  p :     0.417352
      px      :     0.122265
      py      :     0.093292
      dz2     :     0.037217  d :     0.111192
      dxz     :     0.035793
      dyz     :     0.029753
      dx2y2   :     0.004754
      dxy     :     0.003675
 16 O s       :     3.173897  s :     3.173897
      pz      :     1.448680  p :     4.493307
      px      :     1.522936
      py      :     1.521691
      dz2     :     0.032626  d :     0.082734
      dxz     :     0.011701
      dyz     :     0.014124
      dx2y2   :     0.004002
      dxy     :     0.020281
      f0      :     0.002935  f :     0.015596
      f+1     :     0.003841
      f-1     :     0.002988
      f+2     :     0.001081
      f-2     :     0.000183
      f+3     :     0.003073
      f-3     :     0.001495
 17 H s       :     0.636043  s :     0.636043
      pz      :     0.089707  p :     0.408373
      px      :     0.147483
      py      :     0.171183
      dz2     :     0.009576  d :     0.102982
      dxz     :     0.013078
      dyz     :     0.016874
      dx2y2   :     0.037344
      dxy     :     0.026109
 18 H s       :     0.613654  s :     0.613654
      pz      :     0.201394  p :     0.394888
      px      :     0.102792
      py      :     0.090703
      dz2     :     0.033210  d :     0.093414
      dxz     :     0.026211
      dyz     :     0.023904
      dx2y2   :     0.005184
      dxy     :     0.004904
 19 O s       :     3.191699  s :     3.191699
      pz      :     1.525765  p :     4.420986
      px      :     1.320567
      py      :     1.574654
      dz2     :     0.030915  d :     0.124429
      dxz     :     0.032098
      dyz     :     0.011792
      dx2y2   :     0.010830
      dxy     :     0.038795
      f0      :     0.005427  f :     0.023068
      f+1     :     0.002025
      f-1     :     0.001211
      f+2     :     0.003570
      f-2     :     0.005882
      f+3     :     0.002032
      f-3     :     0.002921
 20 H s       :     0.600203  s :     0.600203
      pz      :     0.108066  p :     0.384105
      px      :     0.121531
      py      :     0.154508
      dz2     :     0.011044  d :     0.087210
      dxz     :     0.018764
      dyz     :     0.012772
      dx2y2   :     0.023950
      dxy     :     0.020680
 21 H s       :     0.597055  s :     0.597055
      pz      :     0.158433  p :     0.419272
      px      :     0.150982
      py      :     0.109857
      dz2     :     0.022974  d :     0.100259
      dxz     :     0.025837
      dyz     :     0.012478
      dx2y2   :     0.015517
      dxy     :     0.023453
 22 O s       :     3.165023  s :     3.165023
      pz      :     1.386483  p :     4.387529
      px      :     1.475908
      py      :     1.525139
      dz2     :     0.010252  d :     0.108161
      dxz     :     0.037097
      dyz     :     0.026129
      dx2y2   :     0.010607
      dxy     :     0.024076
      f0      :     0.002795  f :     0.020467
      f+1     :     0.002551
      f-1     :     0.002293
      f+2     :     0.003641
      f-2     :     0.005429
      f+3     :     0.000742
      f-3     :     0.003016
 23 H s       :     0.608825  s :     0.608825
      pz      :     0.152753  p :     0.402506
      px      :     0.120665
      py      :     0.129088
      dz2     :     0.031192  d :     0.102597
      dxz     :     0.024424
      dyz     :     0.023153
      dx2y2   :     0.011094
      dxy     :     0.012734
 24 H s       :     0.615484  s :     0.615484
      pz      :     0.103748  p :     0.400618
      px      :     0.172757
      py      :     0.124113
      dz2     :     0.018629  d :     0.097061
      dxz     :     0.021907
      dyz     :     0.010878
      dx2y2   :     0.023337
      dxy     :     0.022310
 25 O s       :     3.196635  s :     3.196635
      pz      :     1.555588  p :     4.440851
      px      :     1.546392
      py      :     1.338870
      dz2     :     0.009278  d :     0.108777
      dxz     :     0.029919
      dyz     :     0.030090
      dx2y2   :     0.021578
      dxy     :     0.017912
      f0      :     0.002955  f :     0.021426
      f+1     :     0.000984
      f-1     :     0.001199
      f+2     :     0.005660
      f-2     :     0.005744
      f+3     :     0.000566
      f-3     :     0.004319
 26 H s       :     0.617909  s :     0.617909
      pz      :     0.141246  p :     0.431728
      px      :     0.104732
      py      :     0.185749
      dz2     :     0.015108  d :     0.100598
      dxz     :     0.005496
      dyz     :     0.031263
      dx2y2   :     0.020249
      dxy     :     0.028482
 27 H s       :     0.591115  s :     0.591115
      pz      :     0.154852  p :     0.419891
      px      :     0.165920
      py      :     0.099119
      dz2     :     0.017956  d :     0.086434
      dxz     :     0.018463
      dyz     :     0.015553
      dx2y2   :     0.019712
      dxy     :     0.014750
 28 O s       :     3.201310  s :     3.201310
      pz      :     1.528719  p :     4.483136
      px      :     1.360005
      py      :     1.594413
      dz2     :     0.015357  d :     0.106002
      dxz     :     0.039536
      dyz     :     0.012999
      dx2y2   :     0.015827
      dxy     :     0.022283
      f0      :     0.003776  f :     0.017722
      f+1     :     0.003365
      f-1     :     0.000821
      f+2     :     0.002829
      f-2     :     0.003823
      f+3     :     0.001420
      f-3     :     0.001689
 29 H s       :     0.621801  s :     0.621801
      pz      :     0.143343  p :     0.440363
      px      :     0.168611
      py      :     0.128409
      dz2     :     0.020045  d :     0.101302
      dxz     :     0.025701
      dyz     :     0.014956
      dx2y2   :     0.020684
      dxy     :     0.019916
 30 H s       :     0.576855  s :     0.576855
      pz      :     0.154462  p :     0.476270
      px      :     0.191090
      py      :     0.130717
      dz2     :     0.014659  d :     0.089192
      dxz     :     0.024191
      dyz     :     0.012639
      dx2y2   :     0.018581
      dxy     :     0.019122
 31 O s       :     3.175615  s :     3.175615
      pz      :     1.630853  p :     4.430296
      px      :     1.509462
      py      :     1.289981
      dz2     :     0.024004  d :     0.104922
      dxz     :     0.005113
      dyz     :     0.008254
      dx2y2   :     0.016716
      dxy     :     0.050835
      f0      :     0.001602  f :     0.016792
      f+1     :     0.001085
      f-1     :     0.002748
      f+2     :     0.000418
      f-2     :     0.000975
      f+3     :     0.006646
      f-3     :     0.003318
 32 H s       :     0.606799  s :     0.606799
      pz      :     0.109079  p :     0.360863
      px      :     0.133108
      py      :     0.118677
      dz2     :     0.010030  d :     0.096580
      dxz     :     0.013704
      dyz     :     0.020575
      dx2y2   :     0.025701
      dxy     :     0.026570
 33 H s       :     0.616918  s :     0.616918
      pz      :     0.115042  p :     0.410090
      px      :     0.125976
      py      :     0.169072
      dz2     :     0.009954  d :     0.100110
      dxz     :     0.009189
      dyz     :     0.026453
      dx2y2   :     0.024576
      dxy     :     0.029938
 34 O s       :     3.172992  s :     3.172992
      pz      :     1.281024  p :     4.464866
      px      :     1.555896
      py      :     1.627946
      dz2     :     0.019975  d :     0.072798
      dxz     :     0.035018
      dyz     :     0.008464
      dx2y2   :     0.003626
      dxy     :     0.005716
      f0      :     0.000624  f :     0.015232
      f+1     :     0.007238
      f-1     :     0.001746
      f+2     :     0.002568
      f-2     :     0.002208
      f+3     :     0.000480
      f-3     :     0.000369
 35 H s       :     0.616154  s :     0.616154
      pz      :     0.111789  p :     0.357650
      px      :     0.130808
      py      :     0.115052
      dz2     :     0.022983  d :     0.093430
      dxz     :     0.024677
      dyz     :     0.020899
      dx2y2   :     0.012404
      dxy     :     0.012467
 36 H s       :     0.649199  s :     0.649199
      pz      :     0.147564  p :     0.426043
      px      :     0.146125
      py      :     0.132354
      dz2     :     0.030745  d :     0.115260
      dxz     :     0.033014
      dyz     :     0.033526
      dx2y2   :     0.008377
      dxy     :     0.009597
 37 O s       :     3.206902  s :     3.206902
      pz      :     1.456619  p :     4.484069
      px      :     1.576362
      py      :     1.451088
      dz2     :     0.013084  d :     0.079941
      dxz     :     0.019408
      dyz     :     0.013588
      dx2y2   :     0.024073
      dxy     :     0.009788
      f0      :     0.002010  f :     0.017128
      f+1     :     0.004863
      f-1     :     0.000648
      f+2     :     0.003875
      f-2     :     0.000907
      f+3     :     0.000668
      f-3     :     0.004156
 38 H s       :     0.614440  s :     0.614440
      pz      :     0.089922  p :     0.345591
      px      :     0.091498
      py      :     0.164171
      dz2     :     0.014611  d :     0.090299
      dxz     :     0.005324
      dyz     :     0.023761
      dx2y2   :     0.022498
      dxy     :     0.024105
 39 H s       :     0.626745  s :     0.626745
      pz      :     0.149166  p :     0.369689
      px      :     0.136054
      py      :     0.084468
      dz2     :     0.030866  d :     0.096793
      dxz     :     0.027063
      dyz     :     0.018739
      dx2y2   :     0.011305
      dxy     :     0.008820
 40 O s       :     3.212037  s :     3.212037
      pz      :     1.447640  p :     4.491401
      px      :     1.487108
      py      :     1.556652
      dz2     :     0.023754  d :     0.061986
      dxz     :     0.003388
      dyz     :     0.015776
      dx2y2   :     0.005908
      dxy     :     0.013160
      f0      :     0.002923  f :     0.017801
      f+1     :     0.004028
      f-1     :     0.004047
      f+2     :     0.001195
      f-2     :     0.000671
      f+3     :     0.000485
      f-3     :     0.004453
 41 H s       :     0.625499  s :     0.625499
      pz      :     0.086247  p :     0.364915
      px      :     0.161911
      py      :     0.116757
      dz2     :     0.010347  d :     0.096270
      dxz     :     0.020734
      dyz     :     0.007157
      dx2y2   :     0.031513
      dxy     :     0.026519
 42 H s       :     0.634848  s :     0.634848
      pz      :     0.188623  p :     0.423899
      px      :     0.104243
      py      :     0.131033
      dz2     :     0.035966  d :     0.102992
      dxz     :     0.027044
      dyz     :     0.028351
      dx2y2   :     0.005296
      dxy     :     0.006335
 43 O s       :     3.168438  s :     3.168438
      pz      :     1.447533  p :     4.448516
      px      :     1.501849
      py      :     1.499134
      dz2     :     0.007377  d :     0.085831
      dxz     :     0.021122
      dyz     :     0.020304
      dx2y2   :     0.030475
      dxy     :     0.006552
      f0      :     0.002389  f :     0.016916
      f+1     :     0.000714
      f-1     :     0.002660
      f+2     :     0.005564
      f-2     :     0.001492
      f+3     :     0.002336
      f-3     :     0.001760
 44 H s       :     0.626705  s :     0.626705
      pz      :     0.134560  p :     0.386226
      px      :     0.102699
      py      :     0.148966
      dz2     :     0.027881  d :     0.102646
      dxz     :     0.017196
      dyz     :     0.023877
      dx2y2   :     0.016673
      dxy     :     0.017019
 45 H s       :     0.610818  s :     0.610818
      pz      :     0.118127  p :     0.430906
      px      :     0.213901
      py      :     0.098877
      dz2     :     0.021044  d :     0.101944
      dxz     :     0.025423
      dyz     :     0.009467
      dx2y2   :     0.022736
      dxy     :     0.023274
 46 O s       :     3.192922  s :     3.192922
      pz      :     1.456256  p :     4.505794
      px      :     1.604937
      py      :     1.444601
      dz2     :     0.018782  d :     0.067850
      dxz     :     0.007789
      dyz     :     0.015083
      dx2y2   :     0.004927
      dxy     :     0.021269
      f0      :     0.001518  f :     0.016854
      f+1     :     0.003222
      f-1     :     0.003632
      f+2     :     0.000105
      f-2     :     0.003539
      f+3     :     0.003623
      f-3     :     0.001215
 47 H s       :     0.622070  s :     0.622070
      pz      :     0.156825  p :     0.367510
      px      :     0.116066
      py      :     0.094620
      dz2     :     0.032358  d :     0.096181
      dxz     :     0.025239
      dyz     :     0.021608
      dx2y2   :     0.007968
      dxy     :     0.009008
 48 H s       :     0.621633  s :     0.621633
      pz      :     0.102973  p :     0.463511
      px      :     0.178176
      py      :     0.182363
      dz2     :     0.011844  d :     0.109937
      dxz     :     0.010809
      dyz     :     0.022872
      dx2y2   :     0.035760
      dxy     :     0.028652
 49 O s       :     3.183086  s :     3.183086
      pz      :     1.367163  p :     4.446403
      px      :     1.457425
      py      :     1.621814
      dz2     :     0.025163  d :     0.076476
      dxz     :     0.021572
      dyz     :     0.010607
      dx2y2   :     0.010640
      dxy     :     0.008494
      f0      :     0.004719  f :     0.016989
      f+1     :     0.002237
      f-1     :     0.002609
      f+2     :     0.002916
      f-2     :     0.001301
      f+3     :     0.001374
      f-3     :     0.001834
 50 H s       :     0.628511  s :     0.628511
      pz      :     0.086063  p :     0.370808
      px      :     0.169865
      py      :     0.114880
      dz2     :     0.015590  d :     0.095676
      dxz     :     0.021757
      dyz     :     0.006642
      dx2y2   :     0.025049
      dxy     :     0.026638
 51 H s       :     0.633224  s :     0.633224
      pz      :     0.168895  p :     0.390337
      px      :     0.098019
      py      :     0.123424
      dz2     :     0.034291  d :     0.104177
      dxz     :     0.029418
      dyz     :     0.033914
      dx2y2   :     0.003134
      dxy     :     0.003420
 52 O s       :     3.171521  s :     3.171521
      pz      :     1.583062  p :     4.456778
      px      :     1.406856
      py      :     1.466860
      dz2     :     0.007444  d :     0.069126
      dxz     :     0.010484
      dyz     :     0.013130
      dx2y2   :     0.032368
      dxy     :     0.005702
      f0      :     0.001809  f :     0.017432
      f+1     :     0.001545
      f-1     :     0.000652
      f+2     :     0.003833
      f-2     :     0.000363
      f+3     :     0.004710
      f-3     :     0.004520
 53 H s       :     0.622567  s :     0.622567
      pz      :     0.121129  p :     0.398075
      px      :     0.173926
      py      :     0.103020
      dz2     :     0.013466  d :     0.107331
      dxz     :     0.033975
      dyz     :     0.003419
      dx2y2   :     0.024642
      dxy     :     0.031830
 54 H s       :     0.633584  s :     0.633584
      pz      :     0.133011  p :     0.419540
      px      :     0.100209
      py      :     0.186320
      dz2     :     0.018358  d :     0.111506
      dxz     :     0.005896
      dyz     :     0.032612
      dx2y2   :     0.027406
      dxy     :     0.027234
 55 O s       :     3.184993  s :     3.184993
      pz      :     1.327502  p :     4.488592
      px      :     1.608318
      py      :     1.552772
      dz2     :     0.018175  d :     0.072688
      dxz     :     0.012903
      dyz     :     0.028775
      dx2y2   :     0.001494
      dxy     :     0.011341
      f0      :     0.002912  f :     0.016653
      f+1     :     0.000456
      f-1     :     0.005361
      f+2     :     0.002353
      f-2     :     0.003708
      f+3     :     0.001233
      f-3     :     0.000630
 56 H s       :     0.625600  s :     0.625600
      pz      :     0.114051  p :     0.425719
      px      :     0.145496
      py      :     0.166172
      dz2     :     0.023594  d :     0.105125
      dxz     :     0.016450
      dyz     :     0.021693
      dx2y2   :     0.022971
      dxy     :     0.020416
 57 H s       :     0.621828  s :     0.621828
      pz      :     0.172353  p :     0.421862
      px      :     0.118890
      py      :     0.130620
      dz2     :     0.029743  d :     0.100327
      dxz     :     0.027615
      dyz     :     0.029796
      dx2y2   :     0.005915
      dxy     :     0.007258
 58 O s       :     3.205786  s :     3.205786
      pz      :     1.662292  p :     4.463599
      px      :     1.348157
      py      :     1.453150
      dz2     :     0.010999  d :     0.088608
      dxz     :     0.012365
      dyz     :     0.004722
      dx2y2   :     0.043732
      dxy     :     0.016790
      f0      :     0.002186  f :     0.018279
      f+1     :     0.001839
      f-1     :     0.001484
      f+2     :     0.002356
      f-2     :     0.000589
      f+3     :     0.006602
      f-3     :     0.003223
 59 H s       :     0.612328  s :     0.612328
      pz      :     0.102902  p :     0.342213
      px      :     0.076026
      py      :     0.163286
      dz2     :     0.009379  d :     0.089134
      dxz     :     0.004438
      dyz     :     0.026534
      dx2y2   :     0.027853
      dxy     :     0.020930
 60 H s       :     0.626835  s :     0.626835
      pz      :     0.115762  p :     0.373632
      px      :     0.169579
      py      :     0.088290
      dz2     :     0.011770  d :     0.098899
      dxz     :     0.033534
      dyz     :     0.001817
      dx2y2   :     0.024473
      dxy     :     0.027305
 61 O s       :     3.212093  s :     3.212093
      pz      :     1.317347  p :     4.514560
      px      :     1.511045
      py      :     1.686168
      dz2     :     0.028083  d :     0.072256
      dxz     :     0.023744
      dyz     :     0.001997
      dx2y2   :     0.013767
      dxy     :     0.004665
      f0      :     0.005789  f :     0.017169
      f+1     :     0.004292
      f-1     :     0.000687
      f+2     :     0.003293
      f-2     :     0.000586
      f+3     :     0.001679
      f-3     :     0.000843
 62 H s       :     0.619410  s :     0.619410
      pz      :     0.150222  p :     0.350739
      px      :     0.095391
      py      :     0.105126
      dz2     :     0.029265  d :     0.092387
      dxz     :     0.029671
      dyz     :     0.030689
      dx2y2   :     0.001069
      dxy     :     0.001694
 63 H s       :     0.630306  s :     0.630306
      pz      :     0.110329  p :     0.435710
      px      :     0.200467
      py      :     0.124913
      dz2     :     0.019668  d :     0.104570
      dxz     :     0.023332
      dyz     :     0.008789
      dx2y2   :     0.023465
      dxy     :     0.029316
 64 O s       :     3.167940  s :     3.167940
      pz      :     1.399001  p :     4.507886
      px      :     1.558130
      py      :     1.550755
      dz2     :     0.021752  d :     0.078860
      dxz     :     0.016913
      dyz     :     0.017741
      dx2y2   :     0.007984
      dxy     :     0.014469
      f0      :     0.003311  f :     0.014087
      f+1     :     0.002076
      f-1     :     0.002199
      f+2     :     0.001366
      f-2     :     0.002276
      f+3     :     0.000504
      f-3     :     0.002355
 65 H s       :     0.642046  s :     0.642046
      pz      :     0.192419  p :     0.440005
      px      :     0.114008
      py      :     0.133577
      dz2     :     0.036256  d :     0.108976
      dxz     :     0.030654
      dyz     :     0.030928
      dx2y2   :     0.004896
      dxy     :     0.006242
 66 H s       :     0.605630  s :     0.605630
      pz      :     0.099879  p :     0.436805
      px      :     0.203562
      py      :     0.133365
      dz2     :     0.016305  d :     0.095797
      dxz     :     0.018195
      dyz     :     0.011816
      dx2y2   :     0.026937
      dxy     :     0.022544
 67 O s       :     3.196316  s :     3.196316
      pz      :     1.608690  p :     4.403084
      px      :     1.445595
      py      :     1.348799
      dz2     :     0.013753  d :     0.116441
      dxz     :     0.031947
      dyz     :     0.010740
      dx2y2   :     0.037444
      dxy     :     0.022557
      f0      :     0.002034  f :     0.024674
      f+1     :     0.000986
      f-1     :     0.002261
      f+2     :     0.003099
      f-2     :     0.004589
      f+3     :     0.003363
      f-3     :     0.008341
 68 H s       :     0.607746  s :     0.607746
      pz      :     0.116660  p :     0.347569
      px      :     0.154375
      py      :     0.076535
      dz2     :     0.016275  d :     0.092871
      dxz     :     0.025805
      dyz     :     0.007360
      dx2y2   :     0.024848
      dxy     :     0.018583
 69 H s       :     0.597305  s :     0.597305
      pz      :     0.100173  p :     0.409878
      px      :     0.091568
      py      :     0.218137
      dz2     :     0.008047  d :     0.092510
      dxz     :     0.000452
      dyz     :     0.031605
      dx2y2   :     0.022978
      dxy     :     0.029428
 70 O s       :     3.199001  s :     3.199001
      pz      :     1.538329  p :     4.498755
      px      :     1.420372
      py      :     1.540053
      dz2     :     0.003675  d :     0.071666
      dxz     :     0.017537
      dyz     :     0.016156
      dx2y2   :     0.004999
      dxy     :     0.029299
      f0      :     0.001930  f :     0.016976
      f+1     :     0.001726
      f-1     :     0.000881
      f+2     :     0.000643
      f-2     :     0.005374
      f+3     :     0.003194
      f-3     :     0.003229
 71 H s       :     0.636499  s :     0.636499
      pz      :     0.136979  p :     0.403589
      px      :     0.125995
      py      :     0.140615
      dz2     :     0.026479  d :     0.108565
      dxz     :     0.019116
      dyz     :     0.019956
      dx2y2   :     0.020887
      dxy     :     0.022126
 72 H s       :     0.611504  s :     0.611504
      pz      :     0.103055  p :     0.378517
      px      :     0.118911
      py      :     0.156552
      dz2     :     0.013350  d :     0.091097
      dxz     :     0.014173
      dyz     :     0.016030
      dx2y2   :     0.024683
      dxy     :     0.022861
 73 O s       :     3.201163  s :     3.201163
      pz      :     1.520953  p :     4.427716
      px      :     1.440448
      py      :     1.466314
      dz2     :     0.005512  d :     0.089220
      dxz     :     0.017051
      dyz     :     0.019362
      dx2y2   :     0.009856
      dxy     :     0.037440
      f0      :     0.002925  f :     0.019192
      f+1     :     0.001088
      f-1     :     0.000670
      f+2     :     0.002518
      f-2     :     0.004909
      f+3     :     0.004065
      f-3     :     0.003017
 74 H s       :     0.623420  s :     0.623420
      pz      :     0.111570  p :     0.365557
      px      :     0.098023
      py      :     0.155964
      dz2     :     0.018385  d :     0.097138
      dxz     :     0.009866
      dyz     :     0.023420
      dx2y2   :     0.024336
      dxy     :     0.021130
 75 H s       :     0.614236  s :     0.614236
      pz      :     0.119416  p :     0.377616
      px      :     0.139585
      py      :     0.118616
      dz2     :     0.021042  d :     0.100566
      dxz     :     0.020570
      dyz     :     0.014861
      dx2y2   :     0.020697
      dxy     :     0.023395
 76 O s       :     3.193389  s :     3.193389
      pz      :     1.327590  p :     4.493471
      px      :     1.624376
      py      :     1.541505
      dz2     :     0.016980  d :     0.061387
      dxz     :     0.014512
      dyz     :     0.021631
      dx2y2   :     0.006662
      dxy     :     0.001602
      f0      :     0.002195  f :     0.016382
      f+1     :     0.003774
      f-1     :     0.002571
      f+2     :     0.003762
      f-2     :     0.002488
      f+3     :     0.000304
      f-3     :     0.001288
 77 H s       :     0.609336  s :     0.609336
      pz      :     0.102126  p :     0.358768
      px      :     0.106222
      py      :     0.150420
      dz2     :     0.021348  d :     0.095280
      dxz     :     0.014857
      dyz     :     0.023116
      dx2y2   :     0.017598
      dxy     :     0.018360
 78 H s       :     0.643715  s :     0.643715
      pz      :     0.166344  p :     0.433570
      px      :     0.145427
      py      :     0.121799
      dz2     :     0.030322  d :     0.106653
      dxz     :     0.029567
      dyz     :     0.028862
      dx2y2   :     0.009917
      dxy     :     0.007985
 79 O s       :     3.222221  s :     3.222221
      pz      :     1.557266  p :     4.464728
      px      :     1.380594
      py      :     1.526868
      dz2     :     0.004481  d :     0.100322
      dxz     :     0.034428
      dyz     :     0.016867
      dx2y2   :     0.008206
      dxy     :     0.036341
      f0      :     0.002659  f :     0.019728
      f+1     :     0.001872
      f-1     :     0.000307
      f+2     :     0.001075
      f-2     :     0.006137
      f+3     :     0.003678
      f-3     :     0.004000
 80 H s       :     0.614780  s :     0.614780
      pz      :     0.104798  p :     0.348942
      px      :     0.109591
      py      :     0.134553
      dz2     :     0.014461  d :     0.091307
      dxz     :     0.015015
      dyz     :     0.016674
      dx2y2   :     0.022565
      dxy     :     0.022593
 81 H s       :     0.597737  s :     0.597737
      pz      :     0.136669  p :     0.455558
      px      :     0.168951
      py      :     0.149938
      dz2     :     0.016889  d :     0.094295
      dxz     :     0.017262
      dyz     :     0.015545
      dx2y2   :     0.021397
      dxy     :     0.023201
 82 O s       :     3.193716  s :     3.193716
      pz      :     1.420009  p :     4.522317
      px      :     1.437387
      py      :     1.664921
      dz2     :     0.031463  d :     0.076654
      dxz     :     0.017204
      dyz     :     0.009681
      dx2y2   :     0.016001
      dxy     :     0.002306
      f0      :     0.004220  f :     0.014383
      f+1     :     0.001645
      f-1     :     0.002564
      f+2     :     0.001640
      f-2     :     0.000916
      f+3     :     0.002694
      f-3     :     0.000705
 83 H s       :     0.632453  s :     0.632453
      pz      :     0.089781  p :     0.383743
      px      :     0.178489
      py      :     0.115474
      dz2     :     0.014318  d :     0.100781
      dxz     :     0.025757
      dyz     :     0.003904
      dx2y2   :     0.024792
      dxy     :     0.032010
 84 H s       :     0.610360  s :     0.610360
      pz      :     0.246004  p :     0.451954
      px      :     0.081415
      py      :     0.124535
      dz2     :     0.034367  d :     0.095947
      dxz     :     0.023595
      dyz     :     0.030512
      dx2y2   :     0.004317
      dxy     :     0.003156
 85 O s       :     3.244685  s :     3.244685
      pz      :     1.354083  p :     4.451782
      px      :     1.464617
      py      :     1.633083
      dz2     :     0.030329  d :     0.100413
      dxz     :     0.019664
      dyz     :     0.013280
      dx2y2   :     0.028039
      dxy     :     0.009101
      f0      :     0.006180  f :     0.019250
      f+1     :     0.003753
      f-1     :     0.000842
      f+2     :     0.002594
      f-2     :     0.001288
      f+3     :     0.001653
      f-3     :     0.002941
 86 H s       :     0.617158  s :     0.617158
      pz      :     0.078955  p :     0.344270
      px      :     0.157140
      py      :     0.108175
      dz2     :     0.014312  d :     0.090308
      dxz     :     0.018901
      dyz     :     0.006757
      dx2y2   :     0.025337
      dxy     :     0.025001
 87 H s       :     0.592196  s :     0.592196
      pz      :     0.153708  p :     0.326769
      px      :     0.081977
      py      :     0.091084
      dz2     :     0.029279  d :     0.084273
      dxz     :     0.025969
      dyz     :     0.026380
      dx2y2   :     0.001040
      dxy     :     0.001605
 88 O s       :     3.196999  s :     3.196999
      pz      :     1.361552  p :     4.470016
      px      :     1.550505
      py      :     1.557959
      dz2     :     0.037613  d :     0.087939
      dxz     :     0.013298
      dyz     :     0.011844
      dx2y2   :     0.014059
      dxy     :     0.011125
      f0      :     0.006865  f :     0.018059
      f+1     :     0.000863
      f-1     :     0.003120
      f+2     :     0.000496
      f-2     :     0.002927
      f+3     :     0.000573
      f-3     :     0.003215
 89 H s       :     0.596860  s :     0.596860
      pz      :     0.246269  p :     0.456097
      px      :     0.100598
      py      :     0.109230
      dz2     :     0.032495  d :     0.101637
      dxz     :     0.031447
      dyz     :     0.035959
      dx2y2   :     0.001020
      dxy     :     0.000717
 90 H s       :     0.613697  s :     0.613697
      pz      :     0.081329  p :     0.350337
      px      :     0.142567
      py      :     0.126442
      dz2     :     0.015438  d :     0.091584
      dxz     :     0.015918
      dyz     :     0.011788
      dx2y2   :     0.025974
      dxy     :     0.022465
 91 O s       :     3.243440  s :     3.243440
      pz      :     1.616461  p :     4.556923
      px      :     1.322577
      py      :     1.617885
      dz2     :     0.005976  d :     0.068400
      dxz     :     0.026137
      dyz     :     0.004340
      dx2y2   :     0.011156
      dxy     :     0.020791
      f0      :     0.001998  f :     0.017292
      f+1     :     0.001214
      f-1     :     0.000938
      f+2     :     0.003036
      f-2     :     0.005337
      f+3     :     0.001268
      f-3     :     0.003500
 92 H s       :     0.611614  s :     0.611614
      pz      :     0.108038  p :     0.345981
      px      :     0.109983
      py      :     0.127960
      dz2     :     0.011142  d :     0.088750
      dxz     :     0.020286
      dyz     :     0.011343
      dx2y2   :     0.023509
      dxy     :     0.022470
 93 H s       :     0.608411  s :     0.608411
      pz      :     0.164526  p :     0.466496
      px      :     0.177580
      py      :     0.124390
      dz2     :     0.021703  d :     0.096485
      dxz     :     0.024584
      dyz     :     0.011652
      dx2y2   :     0.016336
      dxy     :     0.022209
 94 O s       :     3.177467  s :     3.177467
      pz      :     1.485167  p :     4.406408
      px      :     1.490285
      py      :     1.430956
      dz2     :     0.004350  d :     0.090302
      dxz     :     0.033102
      dyz     :     0.027957
      dx2y2   :     0.004637
      dxy     :     0.020256
      f0      :     0.002337  f :     0.019594
      f+1     :     0.003117
      f-1     :     0.003542
      f+2     :     0.000912
      f-2     :     0.007276
      f+3     :     0.001369
      f-3     :     0.001040
 95 H s       :     0.623278  s :     0.623278
      pz      :     0.144898  p :     0.364882
      px      :     0.114223
      py      :     0.105761
      dz2     :     0.024013  d :     0.097950
      dxz     :     0.021359
      dyz     :     0.020905
      dx2y2   :     0.018539
      dxy     :     0.013134
 96 H s       :     0.620478  s :     0.620478
      pz      :     0.138192  p :     0.425409
      px      :     0.131823
      py      :     0.155394
      dz2     :     0.017241  d :     0.103591
      dxz     :     0.017007
      dyz     :     0.023484
      dx2y2   :     0.027081
      dxy     :     0.018778
 97 O s       :     3.201317  s :     3.201317
      pz      :     1.523435  p :     4.447494
      px      :     1.382470
      py      :     1.541589
      dz2     :     0.010029  d :     0.072305
      dxz     :     0.024253
      dyz     :     0.009904
      dx2y2   :     0.006811
      dxy     :     0.021308
      f0      :     0.002424  f :     0.016803
      f+1     :     0.004324
      f-1     :     0.001941
      f+2     :     0.001016
      f-2     :     0.003817
      f+3     :     0.001466
      f-3     :     0.001816
 98 H s       :     0.612929  s :     0.612929
      pz      :     0.111116  p :     0.360115
      px      :     0.132921
      py      :     0.116078
      dz2     :     0.010684  d :     0.094821
      dxz     :     0.023511
      dyz     :     0.011849
      dx2y2   :     0.027200
      dxy     :     0.021577
 99 H s       :     0.636971  s :     0.636971
      pz      :     0.164217  p :     0.391108
      px      :     0.110385
      py      :     0.116506
      dz2     :     0.029161  d :     0.104070
      dxz     :     0.023980
      dyz     :     0.022410
      dx2y2   :     0.015437
      dxy     :     0.013082
100 O s       :     3.219855  s :     3.219855
      pz      :     1.685106  p :     4.501128
      px      :     1.314632
      py      :     1.501390
      dz2     :     0.012987  d :     0.071827
      dxz     :     0.005045
      dyz     :     0.004028
      dx2y2   :     0.017412
      dxy     :     0.032356
      f0      :     0.001474  f :     0.018164
      f+1     :     0.002020
      f-1     :     0.001743
      f+2     :     0.000136
      f-2     :     0.000182
      f+3     :     0.006236
      f-3     :     0.006373
101 H s       :     0.617567  s :     0.617567
      pz      :     0.120757  p :     0.393438
      px      :     0.098418
      py      :     0.174263
      dz2     :     0.008164  d :     0.103079
      dxz     :     0.010258
      dyz     :     0.027149
      dx2y2   :     0.034315
      dxy     :     0.023192
102 H s       :     0.607346  s :     0.607346
      pz      :     0.114339  p :     0.417376
      px      :     0.171100
      py      :     0.131938
      dz2     :     0.008148  d :     0.096818
      dxz     :     0.029320
      dyz     :     0.005664
      dx2y2   :     0.022743
      dxy     :     0.030944
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 


                      *****************************
                      * 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      6.3034     6.0000    -0.3034     3.6255     3.6255     0.0000
  1 H      0.7620     1.0000     0.2380     0.9387     0.9387     0.0000
  2 H      0.8160     1.0000     0.1840     0.9664     0.9664     0.0000
  3 C      6.0830     6.0000    -0.0830     3.4375     3.4375    -0.0000
  4 H      0.8096     1.0000     0.1904     0.9687     0.9687    -0.0000
  5 H      0.8698     1.0000     0.1302     1.0262     1.0262     0.0000
  6 C      6.1678     6.0000    -0.1678     3.6773     3.6773    -0.0000
  7 H      0.8644     1.0000     0.1356     0.9822     0.9822     0.0000
  8 H      0.8233     1.0000     0.1767     0.9821     0.9821    -0.0000
  9 C      6.2160     6.0000    -0.2160     3.7265     3.7265     0.0000
 10 H      0.8410     1.0000     0.1590     0.9667     0.9667     0.0000
 11 H      0.8125     1.0000     0.1875     0.9707     0.9707     0.0000
 12 O      8.6125     8.0000    -0.6125     1.8709     1.8709     0.0000
 13 H      0.7173     1.0000     0.2827     0.9663     0.9663     0.0000
 14 O      8.5401     8.0000    -0.5401     1.8511     1.8511     0.0000
 15 H      0.8110     1.0000     0.1890     0.9776     0.9776    -0.0000
 16 O      8.5226     8.0000    -0.5226     1.9034     1.9034    -0.0000
 17 H      0.7876     1.0000     0.2124     1.0118     1.0118    -0.0000
 18 H      0.7035     1.0000     0.2965     0.9313     0.9313    -0.0000
 19 O      8.5409     8.0000    -0.5409     1.9939     1.9939     0.0000
 20 H      0.7328     1.0000     0.2672     0.9689     0.9689    -0.0000
 21 H      0.7614     1.0000     0.2386     0.9665     0.9665     0.0000
 22 O      8.6111     8.0000    -0.6111     2.0816     2.0816     0.0000
 23 H      0.6995     1.0000     0.3005     0.9260     0.9260    -0.0000
 24 H      0.6977     1.0000     0.3023     0.9153     0.9153     0.0000
 25 O      8.6259     8.0000    -0.6259     1.9957     1.9957     0.0000
 26 H      0.6944     1.0000     0.3056     0.9204     0.9204     0.0000
 27 H      0.6857     1.0000     0.3143     0.9432     0.9432     0.0000
 28 O      8.6808     8.0000    -0.6808     1.9063     1.9063     0.0000
 29 H      0.7586     1.0000     0.2414     0.9850     0.9850    -0.0000
 30 H      0.6439     1.0000     0.3561     0.9000     0.9000    -0.0000
 31 O      8.5994     8.0000    -0.5994     1.8901     1.8901    -0.0000
 32 H      0.6491     1.0000     0.3509     0.9062     0.9062     0.0000
 33 H      0.7348     1.0000     0.2652     0.9437     0.9437     0.0000
 34 O      8.5590     8.0000    -0.5590     1.8923     1.8923    -0.0000
 35 H      0.6879     1.0000     0.3121     0.9401     0.9401    -0.0000
 36 H      0.7379     1.0000     0.2621     0.9563     0.9563    -0.0000
 37 O      8.5959     8.0000    -0.5959     1.8682     1.8682    -0.0000
 38 H      0.6809     1.0000     0.3191     0.9341     0.9341    -0.0000
 39 H      0.6958     1.0000     0.3042     0.9497     0.9497     0.0000
 40 O      8.4646     8.0000    -0.4646     1.9265     1.9265    -0.0000
 41 H      0.7790     1.0000     0.2210     0.9729     0.9729    -0.0000
 42 H      0.7625     1.0000     0.2375     0.9872     0.9872    -0.0000
 43 O      8.5424     8.0000    -0.5424     1.9180     1.9180     0.0000
 44 H      0.7495     1.0000     0.2505     0.9745     0.9745     0.0000
 45 H      0.6959     1.0000     0.3041     0.9210     0.9210     0.0000
 46 O      8.6775     8.0000    -0.6775     1.7234     1.7234    -0.0000
 47 H      0.6379     1.0000     0.3621     0.8607     0.8607    -0.0000
 48 H      0.7040     1.0000     0.2960     0.8957     0.8957    -0.0000
 49 O      8.4885     8.0000    -0.4885     1.9002     1.9002    -0.0000
 50 H      0.7634     1.0000     0.2366     0.9864     0.9864    -0.0000
 51 H      0.7345     1.0000     0.2655     0.9650     0.9650    -0.0000
 52 O      8.4856     8.0000    -0.4856     1.9726     1.9726    -0.0000
 53 H      0.7270     1.0000     0.2730     0.9812     0.9812     0.0000
 54 H      0.7930     1.0000     0.2070     1.0480     1.0480    -0.0000
 55 O      8.5953     8.0000    -0.5953     1.8196     1.8196     0.0000
 56 H      0.7230     1.0000     0.2770     0.9705     0.9705     0.0000
 57 H      0.7001     1.0000     0.2999     0.9210     0.9210    -0.0000
 58 O      8.5482     8.0000    -0.5482     1.9227     1.9227    -0.0000
 59 H      0.7194     1.0000     0.2806     0.9711     0.9711    -0.0000
 60 H      0.6897     1.0000     0.3103     0.9251     0.9251    -0.0000
 61 O      8.5279     8.0000    -0.5279     1.9153     1.9153     0.0000
 62 H      0.7305     1.0000     0.2695     0.9655     0.9655     0.0000
 63 H      0.7402     1.0000     0.2598     1.0084     1.0084     0.0000
 64 O      8.5625     8.0000    -0.5625     1.9364     1.9364     0.0000
 65 H      0.7492     1.0000     0.2508     1.0042     1.0042    -0.0000
 66 H      0.6878     1.0000     0.3122     0.9662     0.9662     0.0000
 67 O      8.5673     8.0000    -0.5673     1.9032     1.9032    -0.0000
 68 H      0.7081     1.0000     0.2919     0.9281     0.9281    -0.0000
 69 H      0.6717     1.0000     0.3283     0.9016     0.9016    -0.0000
 70 O      8.5453     8.0000    -0.5453     1.9511     1.9511    -0.0000
 71 H      0.7373     1.0000     0.2627     0.9549     0.9549    -0.0000
 72 H      0.7120     1.0000     0.2880     0.9883     0.9883    -0.0000
 73 O      8.5506     8.0000    -0.5506     1.9177     1.9177    -0.0000
 74 H      0.7477     1.0000     0.2523     0.9616     0.9616     0.0000
 75 H      0.6756     1.0000     0.3244     0.9137     0.9137     0.0000
 76 O      8.5457     8.0000    -0.5457     1.8665     1.8665    -0.0000
 77 H      0.6966     1.0000     0.3034     0.9408     0.9408    -0.0000
 78 H      0.7433     1.0000     0.2567     0.9459     0.9459    -0.0000
 79 O      8.6277     8.0000    -0.6277     1.9029     1.9029     0.0000
 80 H      0.7025     1.0000     0.2975     0.9558     0.9558     0.0000
 81 H      0.6758     1.0000     0.3242     0.9587     0.9587     0.0000
 82 O      8.6215     8.0000    -0.6215     1.8590     1.8590    -0.0000
 83 H      0.7153     1.0000     0.2847     0.9776     0.9776     0.0000
 84 H      0.6678     1.0000     0.3322     0.9350     0.9350     0.0000
 85 O      8.5545     8.0000    -0.5545     1.9200     1.9200    -0.0000
 86 H      0.7650     1.0000     0.2350     0.9672     0.9672    -0.0000
 87 H      0.6487     1.0000     0.3513     0.9012     0.9012    -0.0000
 88 O      8.6339     8.0000    -0.6339     1.8622     1.8622    -0.0000
 89 H      0.6827     1.0000     0.3173     0.9373     0.9373    -0.0000
 90 H      0.6788     1.0000     0.3212     0.9399     0.9399     0.0000
 91 O      8.6707     8.0000    -0.6707     1.7723     1.7723     0.0000
 92 H      0.6719     1.0000     0.3281     0.9298     0.9298     0.0000
 93 H      0.6881     1.0000     0.3119     0.9429     0.9429     0.0000
 94 O      8.4303     8.0000    -0.4303     1.9398     1.9398     0.0000
 95 H      0.7882     1.0000     0.2118     1.0068     1.0068     0.0000
 96 H      0.7772     1.0000     0.2228     1.0038     1.0038    -0.0000
 97 O      8.5604     8.0000    -0.5604     1.9090     1.9090     0.0000
 98 H      0.6614     1.0000     0.3386     0.8934     0.8934     0.0000
 99 H      0.7519     1.0000     0.2481     0.9568     0.9568     0.0000
100 O      8.5928     8.0000    -0.5928     1.8679     1.8679    -0.0000
101 H      0.6757     1.0000     0.3243     0.9505     0.9505    -0.0000
102 H      0.7400     1.0000     0.2600     0.9918     0.9918    -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

  Mayer bond orders larger than 0.100000
B(  0-C ,  1-H ) :   1.0033 B(  0-C ,  2-H ) :   1.0217 B(  0-C ,  3-C ) :   0.6204 
B(  0-C ,  6-C ) :   0.1175 B(  0-C , 14-O ) :   0.7367 B(  3-C ,  4-H ) :   0.9924 
B(  3-C ,  5-H ) :   1.0173 B(  3-C ,  6-C ) :   0.8282 B(  6-C ,  7-H ) :   1.0212 
B(  6-C ,  8-H ) :   1.0207 B(  6-C ,  9-C ) :   0.7319 B(  6-C , 12-O ) :  -0.1085 
B(  9-C , 10-H ) :   1.0207 B(  9-C , 11-H ) :   1.0011 B(  9-C , 12-O ) :   0.8890 
B( 12-O , 13-H ) :   0.9556 B( 14-O , 15-H ) :   0.9555 B( 16-O , 17-H ) :   0.9660 
B( 16-O , 18-H ) :   0.9102 B( 19-O , 20-H ) :   0.9240 B( 19-O , 21-H ) :   0.9131 
B( 22-O , 23-H ) :   0.9005 B( 22-O , 24-H ) :   0.9394 B( 25-O , 26-H ) :   0.9264 
B( 25-O , 27-H ) :   0.8736 B( 28-O , 29-H ) :   0.9540 B( 28-O , 30-H ) :   0.8375 
B( 31-O , 32-H ) :   0.9043 B( 31-O , 33-H ) :   0.8997 B( 34-O , 35-H ) :   0.9271 
B( 34-O , 36-H ) :   0.9468 B( 37-O , 38-H ) :   0.9190 B( 37-O , 39-H ) :   0.9334 
B( 40-O , 41-H ) :   0.9625 B( 40-O , 42-H ) :   0.9432 B( 43-O , 44-H ) :   0.9518 
B( 43-O , 45-H ) :   0.9124 B( 46-O , 47-H ) :   0.8569 B( 46-O , 48-H ) :   0.8434 
B( 49-O , 50-H ) :   0.9462 B( 49-O , 51-H ) :   0.9495 B( 52-O , 53-H ) :   0.9718 
B( 52-O , 54-H ) :   0.9983 B( 55-O , 56-H ) :   0.9223 B( 55-O , 57-H ) :   0.8692 
B( 58-O , 59-H ) :   0.9606 B( 58-O , 60-H ) :   0.9049 B( 61-O , 62-H ) :   0.9501 
B( 61-O , 63-H ) :   0.9568 B( 64-O , 65-H ) :   0.9596 B( 64-O , 66-H ) :   0.9148 
B( 67-O , 68-H ) :   0.9148 B( 67-O , 69-H ) :   0.8678 B( 70-O , 71-H ) :   0.9456 
B( 70-O , 72-H ) :   0.9341 B( 73-O , 74-H ) :   0.9556 B( 73-O , 75-H ) :   0.9078 
B( 76-O , 77-H ) :   0.9296 B( 76-O , 78-H ) :   0.9158 B( 79-O , 80-H ) :   0.9429 
B( 79-O , 81-H ) :   0.8907 B( 82-O , 83-H ) :   0.9542 B( 82-O , 84-H ) :   0.8713 
B( 85-O , 86-H ) :   0.9575 B( 85-O , 87-H ) :   0.8984 B( 88-O , 89-H ) :   0.8654 
B( 88-O , 90-H ) :   0.9307 B( 91-O , 92-H ) :   0.9157 B( 91-O , 93-H ) :   0.8596 
B( 94-O , 95-H ) :   0.9717 B( 94-O , 96-H ) :   0.9554 B( 97-O , 98-H ) :   0.8912 
B( 97-O , 99-H ) :   0.9494 B(100-O ,101-H ) :   0.9421 B(100-O ,102-H ) :   0.9179 


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

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

Total SCF time: 0 days 0 hours 9 min 56 sec 

Total time                  ....     596.982 sec
Sum of individual times     ....     579.930 sec  ( 97.1%)

Fock matrix formation       ....     516.531 sec  ( 86.5%)
  Split-RI-J                ....      41.890 sec  (  8.1% of F)
  Chain of spheres X        ....     437.710 sec  ( 84.7% of F)
  XC integration            ....      29.669 sec  (  5.7% of F)
    Basis function eval.    ....       5.513 sec  ( 18.6% of XC)
    Density eval.           ....      12.279 sec  ( 41.4% of XC)
    XC-Functional eval.     ....       0.296 sec  (  1.0% of XC)
    XC-Potential eval.      ....       7.136 sec  ( 24.1% of XC)
Diagonalization             ....       9.725 sec  (  1.6%)
Density matrix formation    ....       2.004 sec  (  0.3%)
Population analysis         ....       3.157 sec  (  0.5%)
Initial guess               ....       5.148 sec  (  0.9%)
Orbital Transformation      ....       0.000 sec  (  0.0%)
Orbital Orthonormalization  ....       0.000 sec  (  0.0%)
DIIS solution               ....      10.391 sec  (  1.7%)
SOSCF solution              ....      11.491 sec  (  1.9%)
Grid generation             ....      21.483 sec  (  3.6%)

Maximum memory used throughout the entire SCF-calculation: 1036.2 MB

-------------------------   --------------------
FINAL SINGLE POINT ENERGY     -2691.708927716991
-------------------------   --------------------



           ************************************************************
           *        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                  ...  616
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 ( 21.8 sec)
RI-J gradient            (SHARK) ... done (  9.3 sec)
COSX-gradient                    ... done (111.1 sec)
Exchange-correlation gradient    ... done

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

WARNING: THERE ARE 1539 FIXED CARTESIAN COORDINATES
   1   C   :   -0.027138509    0.007894257   -0.001489873
   2   H   :   -0.011706514   -0.004213814    0.004530789
   3   H   :   -0.002091009   -0.015979800    0.010051139
   4   C   :    0.052364112   -0.003532885   -0.014734985
   5   H   :    0.000164374   -0.006713142   -0.002427723
   6   H   :   -0.000607161    0.000313973    0.013005503
   7   C   :   -0.011939127    0.013128338    0.021104371
   8   H   :   -0.004624189    0.010154487   -0.002171370
   9   H   :   -0.007854212   -0.015560052   -0.002671566
  10   C   :    0.007797766   -0.005279147   -0.045021178
  11   H   :    0.006510538    0.001310084    0.020700830
  12   H   :    0.004637081    0.018774288   -0.002021992
  13   O   :    0.004960603   -0.025712988   -0.012871064
  14   H   :   -0.015231863    0.007107665    0.010656928
  15   O   :   -0.005325577    0.006269373    0.041781817
  16   H   :    0.009441967    0.007408222   -0.046522686
  17   O   :   -0.019007058   -0.025480703   -0.005663310
  18   H   :    0.004123271    0.011511037    0.015320180
  19   H   :    0.014609148    0.014667148   -0.006331770
  20   O   :   -0.023005909    0.022179689   -0.011901642
  21   H   :    0.021006950   -0.012754733    0.016237007
  22   H   :    0.005537118   -0.004754099   -0.005033641
  23   O   :   -0.006943797   -0.014468949   -0.014527477
  24   H   :    0.010019883    0.010189093    0.008920221
  25   H   :   -0.001081770    0.002652705    0.007392873
  26   O   :    0.017268222   -0.027501636   -0.009915234
  27   H   :   -0.000759936    0.008637648   -0.004231365
  28   H   :   -0.015463027    0.020795576    0.018433968
  29   O   :   -0.023323708   -0.010592507    0.001842191
  30   H   :    0.003636348    0.000311655    0.001663551
  31   H   :    0.021732792    0.008172456   -0.011397470
  32   O   :   -0.008472137    0.009862506    0.001521933
  33   H   :    0.015734427   -0.004472071    0.003594651
  34   H   :    0.006573457   -0.000584245   -0.004832999
  35   O   :   -0.032585130   -0.001131103    0.061557884
  36   H   :    0.002487779   -0.004591515   -0.009284210
  37   H   :    0.036291404    0.008596414   -0.044912788
  38   O   :    0.004088276    0.007082905   -0.014958866
  39   H   :    0.010074765   -0.017730234    0.017770041
  40   H   :    0.002610112    0.013543811   -0.002710192
  41   O   :    0.005477530   -0.007007333    0.006369997
  42   H   :   -0.012345476    0.000462671    0.011344378
  43   H   :   -0.002656716    0.011633129   -0.013587328
  44   O   :    0.018926830    0.015669256    0.005440078
  45   H   :   -0.005014272   -0.012338197   -0.011136020
  46   H   :   -0.012557749   -0.007956914    0.000022676
  47   O   :   -0.027268964    0.044444332    0.020114810
  48   H   :    0.002152977   -0.005938130    0.001669186
  49   H   :    0.025257700   -0.031632263   -0.008479287
  50   O   :   -0.002145535   -0.005028033   -0.026111445
  51   H   :   -0.008905753    0.003321652    0.009839809
  52   H   :    0.007909381   -0.000125932    0.022749454
  53   O   :   -0.018258289    0.041517075   -0.012151449
  54   H   :    0.036320556    0.006165503   -0.015801771
  55   H   :   -0.019347858   -0.037972997    0.018284267
  56   O   :    0.003837727    0.028945144    0.012858631
  57   H   :   -0.013063226   -0.017547561   -0.012685339
  58   H   :    0.009178453   -0.008606186    0.005413714
  59   O   :    0.008010694   -0.017559655   -0.010021616
  60   H   :   -0.015491487    0.020139464    0.001930435
  61   H   :    0.000470789   -0.008563487   -0.002686612
  62   O   :    0.019798654   -0.011821757    0.025788167
  63   H   :    0.006508528    0.003028021   -0.019235947
  64   H   :   -0.019706835    0.002992014   -0.013103667
  65   O   :    0.029233586   -0.010902335   -0.046189819
  66   H   :   -0.014807473    0.007154439    0.030129591
  67   H   :   -0.000576599    0.017895883    0.015620583
  68   O   :   -0.032317426   -0.014634317    0.026807372
  69   H   :    0.015432021   -0.000210949   -0.005319625
  70   H   :    0.010444333    0.008303314   -0.006488884
  71   O   :   -0.023008228   -0.011109628    0.029799844
  72   H   :    0.021119707    0.023162370   -0.016216149
  73   H   :    0.016304695   -0.007053403   -0.005032473
  74   O   :    0.005703077   -0.015065938    0.002509106
  75   H   :    0.002043189    0.006462039   -0.000510402
  76   H   :   -0.015669102    0.001290479   -0.011970199
  77   O   :    0.012134568   -0.011494864    0.016917267
  78   H   :   -0.002035582   -0.008396196    0.004035551
  79   H   :   -0.011084024    0.014737758   -0.022285687
  80   O   :   -0.009966295   -0.018786344   -0.021839276
  81   H   :    0.010066527    0.009361430    0.005400551
  82   H   :   -0.001070179    0.006635654    0.002747219
  83   O   :    0.026033597   -0.008304660    0.010297250
  84   H   :   -0.008737740    0.000529290   -0.005351510
  85   H   :   -0.014657103    0.006637705    0.008319984
  86   O   :   -0.039042386    0.004817893   -0.031129124
  87   H   :    0.027319441   -0.007555951   -0.004613173
  88   H   :    0.008601871    0.000539191    0.024425296
  89   O   :   -0.003964431   -0.013268301    0.031559659
  90   H   :   -0.002785875    0.004352333   -0.008675588
  91   H   :    0.007068385    0.007477408   -0.008251213
  92   O   :   -0.018154713    0.023732762   -0.003096306
  93   H   :    0.013283785   -0.016433039    0.006772179
  94   H   :    0.000399535   -0.001357894   -0.001249422
  95   O   :    0.011422592    0.013249180    0.004836642
  96   H   :   -0.001840435    0.001395441    0.004000368
  97   H   :   -0.008927294   -0.013393566   -0.008056025
  98   O   :    0.020930335    0.006485984    0.012048842
  99   H   :   -0.002469905    0.002664522   -0.002424761
 100   H   :   -0.013288929    0.000330700   -0.013085188
 101   O   :    0.015254217    0.000413764   -0.007491983
 102   H   :   -0.031334005    0.015162615   -0.001241653
 103   H   :   -0.004774100   -0.017423920   -0.003911372
 104   Q   :   -0.025491414    0.284126269   -0.041211271
 105   Q   :   -0.039697438   -0.164971374   -0.190300783
 106   Q   :    0.065089740   -0.105216062    0.230328529
 107   Q   :   -0.109816838    0.252494784   -0.096678781
 108   Q   :   -0.072242568   -0.242230871   -0.094432022
 109   Q   :    0.179420172   -0.008742890    0.199711263
 110   Q   :   -0.027275983   -0.294550988    0.054950424
 111   Q   :    0.181988039    0.175254725    0.136097037
 112   Q   :   -0.153839907    0.122367127   -0.176969022
 113   Q   :    0.128107209   -0.204731791    0.032889241
 114   Q   :   -0.241455414    0.046275678    0.023445189
 115   Q   :    0.103511969    0.158735095   -0.069869592
 116   Q   :   -0.078090653   -0.154844545    0.217608839
 117   Q   :   -0.027688769    0.247991689   -0.049426325
 118   Q   :    0.112955910   -0.106661216   -0.154215111
 119   Q   :   -0.164029480    0.174832969   -0.154618522
 120   Q   :    0.103364418    0.101892264    0.264431355
 121   Q   :    0.065698037   -0.286903323   -0.101695549
 122   Q   :   -0.158476782    0.224118977   -0.160986182
 123   Q   :    0.257784471    0.036676478    0.135478140
 124   Q   :   -0.104067913   -0.261384734    0.024283802
 125   Q   :    0.164974881   -0.257919741   -0.031809386
 126   Q   :    0.149091734    0.241564802    0.137315177
 127   Q   :   -0.300685650    0.022548271   -0.109878829
 128   Q   :    0.016425590   -0.266273058   -0.036953944
 129   Q   :   -0.253770032    0.147001415    0.014727606
 130   Q   :    0.238549990    0.115391235    0.026782157
 131   Q   :   -0.182461194   -0.045619688   -0.182102553
 132   Q   :    0.069233142   -0.152941483    0.217947445
 133   Q   :    0.115420711    0.191628680   -0.029654630
 134   Q   :   -0.173445049   -0.022478222   -0.186318106
 135   Q   :   -0.001810892    0.143213183    0.231794067
 136   Q   :    0.177832148   -0.117033107   -0.044095852
 137   Q   :    0.133564553    0.082287801    0.188848760
 138   Q   :   -0.197537910   -0.217173966   -0.010231618
 139   Q   :    0.047732161    0.142697755   -0.185463890
 140   Q   :    0.106223913   -0.164071912    0.240638950
 141   Q   :   -0.052401569    0.279735185    0.072912703
 142   Q   :   -0.056542716   -0.120634947   -0.308629115
 143   Q   :   -0.199861901    0.167035143   -0.008916930
 144   Q   :    0.077884522   -0.193095031   -0.169302113
 145   Q   :    0.122599308    0.016615139    0.171418172
 146   Q   :   -0.001097769    0.058667104   -0.232695601
 147   Q   :   -0.006824018   -0.262670518    0.134970224
 148   Q   :    0.005187923    0.208692482    0.100328231
 149   Q   :    0.102199493    0.196461747    0.200224383
 150   Q   :   -0.252429806   -0.177793995    0.064694830
 151   Q   :    0.154132660   -0.014003300   -0.267483584
 152   Q   :    0.166005054   -0.151731180   -0.122522360
 153   Q   :   -0.024324656    0.271600833    0.017573017
 154   Q   :   -0.134281408   -0.109621419    0.106175503
 155   Q   :   -0.025243211   -0.216191590   -0.168266356
 156   Q   :   -0.238236078    0.146616990    0.108808819
 157   Q   :    0.263886147    0.073170731    0.071035470
 158   Q   :   -0.164620820   -0.150786241   -0.080221288
 159   Q   :    0.070646222    0.057453764    0.264551346
 160   Q   :    0.081995882    0.085490312   -0.172833816
 161   Q   :   -0.116401754    0.171739250   -0.193511854
 162   Q   :    0.269946537   -0.009308064    0.046275412
 163   Q   :   -0.154515170   -0.161120944    0.151555842
 164   Q   :    0.218705231   -0.017542384    0.167432301
 165   Q   :   -0.078679518   -0.210450772   -0.199070677
 166   Q   :   -0.140230847    0.217891121    0.028506271
 167   Q   :    0.251692326   -0.074610954    0.150898026
 168   Q   :    0.035553124    0.225703930   -0.187613737
 169   Q   :   -0.291189059   -0.150063223    0.036358175
 170   Q   :    0.207934836    0.160833110   -0.090656422
 171   Q   :    0.043777121   -0.300986346    0.054443163
 172   Q   :   -0.256271155    0.125117688    0.042281625
 173   Q   :    0.139730958   -0.235330826   -0.036661604
 174   Q   :   -0.166784360    0.045607271    0.160458919
 175   Q   :    0.034710643    0.192852859   -0.133948138
 176   Q   :    0.232961356    0.135261338    0.102819633
 177   Q   :   -0.175395946   -0.171780959    0.194483723
 178   Q   :   -0.071350021    0.042080235   -0.282589762
 179   Q   :   -0.085941808    0.273028524    0.104307796
 180   Q   :    0.244029627   -0.156687437    0.103401473
 181   Q   :   -0.151357970   -0.112680582   -0.204238654
 182   Q   :    0.266642127   -0.126782650    0.122128835
 183   Q   :   -0.047826709   -0.038346054   -0.295008706
 184   Q   :   -0.216682498    0.168136211    0.175002321
 185   Q   :   -0.145083862   -0.143947922   -0.146665949
 186   Q   :   -0.043780511    0.086336082    0.257880898
 187   Q   :    0.187740416    0.054818580   -0.097528885
 188   Q   :   -0.157168473    0.196945015   -0.124481959
 189   Q   :    0.127180772   -0.182628512   -0.123739713
 190   Q   :    0.020923330   -0.012241084    0.235063124
 191   Q   :    0.074802586   -0.065097051   -0.297244504
 192   Q   :    0.087252094    0.208803998    0.178836875
 193   Q   :   -0.167293937   -0.153354811    0.114796243
 194   Q   :    0.054989763    0.161408097   -0.192431094
 195   Q   :   -0.161115940    0.046983235    0.208952560
 196   Q   :    0.108361030   -0.212343334   -0.020516922
 197   Q   :   -0.118012861   -0.222011002   -0.159041987
 198   Q   :   -0.033515132    0.060917868    0.250359009
 199   Q   :    0.149572198    0.151062640   -0.093318444
 200   Q   :    0.149033525    0.307943717    0.033416113
 201   Q   :    0.123454630   -0.185935044    0.156322054
 202   Q   :   -0.274148950   -0.109631765   -0.186425759
 203   Q   :   -0.062038669    0.183114018    0.223134837
 204   Q   :    0.193269145   -0.097836480   -0.071356901
 205   Q   :   -0.128552427   -0.081521161   -0.143905627
 206   Q   :   -0.167214519   -0.228876271    0.083867864
 207   Q   :    0.111887233    0.049794952   -0.256952996
 208   Q   :    0.056689110    0.167899628    0.175904930
 209   Q   :    0.176280427    0.050447808    0.220397920
 210   Q   :   -0.283073362   -0.012579021    0.020516182
 211   Q   :    0.105315590   -0.036323474   -0.242663493
 212   Q   :    0.082499634   -0.108249733    0.202056028
 213   Q   :   -0.187998209    0.173285377   -0.027089740
 214   Q   :    0.100915982   -0.062224363   -0.177168618
 215   Q   :    0.206630153   -0.135494930   -0.011701727
 216   Q   :   -0.217191497   -0.024101986   -0.156843285
 217   Q   :    0.003589134    0.167591800    0.171974796
 218   Q   :   -0.295347589    0.036415523    0.006225585
 219   Q   :    0.157053844   -0.180553985   -0.089831101
 220   Q   :    0.128792200    0.147739469    0.088480954
 221   Q   :   -0.005898143    0.271118309   -0.135831495
 222   Q   :    0.193196545   -0.099431475    0.073593197
 223   Q   :   -0.201555181   -0.164581913    0.056985815
 224   Q   :   -0.229932957    0.086491007    0.088307840
 225   Q   :    0.064000505   -0.242214530   -0.072677068
 226   Q   :    0.175955692    0.161238247    0.004223081
 227   Q   :   -0.114984135    0.170956756   -0.185797578
 228   Q   :    0.221970356   -0.105268896   -0.023731450
 229   Q   :   -0.107250067   -0.073474228    0.215108353
 230   Q   :    0.276236193   -0.128688766   -0.061022994
 231   Q   :   -0.145766008   -0.019936838    0.264453311
 232   Q   :   -0.127573949    0.147056501   -0.206726783
 233   Q   :    0.033200621    0.098097051   -0.273843575
 234   Q   :    0.199842043   -0.164779775    0.096915499
 235   Q   :   -0.240040822    0.067363682    0.179245330
 236   Q   :   -0.202759271    0.211407657   -0.023204501
 237   Q   :    0.067574865   -0.109511713    0.252033615
 238   Q   :    0.143977941   -0.095693238   -0.232999211
 239   Q   :    0.110112118   -0.063216841    0.272696582
 240   Q   :    0.022452499   -0.146124198   -0.234542460
 241   Q   :   -0.132983705    0.212850149   -0.038183127
 242   Q   :   -0.185691715   -0.228999501   -0.017767811
 243   Q   :    0.226670225    0.004526855   -0.106955162
 244   Q   :   -0.055082897    0.221951194    0.128626821
 245   Q   :    0.197230254   -0.158671081    0.128363208
 246   Q   :   -0.145419248    0.207373268    0.066819911
 247   Q   :   -0.044955530   -0.050046155   -0.190597203
 248   Q   :   -0.283389896    0.120062079   -0.053398337
 249   Q   :    0.042206932   -0.207292606    0.235748575
 250   Q   :    0.240773314    0.094117199   -0.185737296
 251   Q   :   -0.293069371   -0.062648380    0.035829880
 252   Q   :    0.089031443    0.197057160   -0.194096317
 253   Q   :    0.208035284   -0.125072676    0.148792352
 254   Q   :   -0.011825045   -0.087748039   -0.295287222
 255   Q   :   -0.056779523    0.259866850    0.065257488
 256   Q   :    0.073882497   -0.179381504    0.221661627
 257   Q   :   -0.103136021   -0.198035031   -0.156742439
 258   Q   :    0.235811711    0.126963812   -0.010333729
 259   Q   :   -0.124386784    0.062497471    0.160064122
 260   Q   :    0.296435525   -0.126001938    0.014348463
 261   Q   :   -0.114283190   -0.038891262   -0.274167370
 262   Q   :   -0.185355809    0.157589467    0.259505465
 263   Q   :    0.066223923   -0.054620012   -0.282161339
 264   Q   :   -0.254503292    0.231904607    0.034198815
 265   Q   :    0.189201533   -0.178938602    0.247509159
 266   Q   :   -0.059378644    0.126365502    0.202156887
 267   Q   :    0.091501208    0.069509283   -0.214266806
 268   Q   :   -0.040701752   -0.199803678    0.018072866
 269   Q   :    0.011950347    0.198620209    0.210418212
 270   Q   :   -0.238230015   -0.024056335   -0.200034580
 271   Q   :    0.220741033   -0.184695199   -0.011801635
 272   Q   :    0.003483221   -0.191474491   -0.188680699
 273   Q   :    0.151879504   -0.029761611    0.256555567
 274   Q   :   -0.161928201    0.219132980   -0.054746558
 275   Q   :    0.205381755    0.150464595   -0.197653618
 276   Q   :    0.075400481   -0.006070230    0.290674539
 277   Q   :   -0.289311454   -0.143405657   -0.095176826
 278   Q   :   -0.085291074    0.066817887    0.238953458
 279   Q   :    0.239120980    0.122642886   -0.131714019
 280   Q   :   -0.146819242   -0.190401972   -0.106303315
 281   Q   :    0.140942192    0.196230485   -0.141619334
 282   Q   :   -0.150199491   -0.004157963    0.190065535
 283   Q   :    0.011867634   -0.200682894   -0.052463969
 284   Q   :    0.219975923   -0.046054553   -0.193483679
 285   Q   :   -0.220101787    0.180288670   -0.028871061
 286   Q   :   -0.004223109   -0.124205243    0.221565044
 287   Q   :    0.226007105   -0.118178769   -0.174168665
 288   Q   :   -0.040377075   -0.162652131    0.279085136
 289   Q   :   -0.179788939    0.283634580   -0.101336671
 290   Q   :   -0.288490120   -0.010112203   -0.002249463
 291   Q   :    0.148197887    0.183256225    0.118855753
 292   Q   :    0.140937031   -0.165443633   -0.120018018
 293   Q   :   -0.044962575   -0.034503273   -0.275884527
 294   Q   :    0.194952051    0.184562863    0.105250291
 295   Q   :   -0.153387076   -0.153859829    0.164514693
 296   Q   :   -0.089509108    0.251687084   -0.100323445
 297   Q   :   -0.197458485   -0.182854004    0.151885010
 298   Q   :    0.288152075   -0.074471047   -0.055208033
 299   Q   :   -0.123051322    0.147322866   -0.233515757
 300   Q   :   -0.120121477   -0.167904023    0.151861551
 301   Q   :    0.240879580    0.034106456    0.063679060
 302   Q   :   -0.182943542   -0.198571274    0.126386095
 303   Q   :   -0.078412770    0.243813541   -0.070524596
 304   Q   :    0.267218616   -0.045298856   -0.059407529
 305   Q   :    0.202488633   -0.187422744    0.027131343
 306   Q   :   -0.011952027    0.247650539    0.114175662
 307   Q   :   -0.184352037   -0.061010677   -0.140131761
 308   Q   :    0.048208146    0.154134022   -0.249441132
 309   Q   :   -0.265838325   -0.125314077    0.045528321
 310   Q   :    0.213259389   -0.032225759    0.208064609
 311   Q   :    0.219212702   -0.123983113   -0.125626147
 312   Q   :   -0.210979180   -0.121076442    0.107973764
 313   Q   :   -0.009025647    0.234468940    0.018762054
 314   Q   :   -0.195639088    0.173828982   -0.061363167
 315   Q   :    0.083064104   -0.251517107   -0.170634697
 316   Q   :    0.124615772    0.071965200    0.234926151
 317   Q   :   -0.119132757    0.053420605   -0.252723857
 318   Q   :    0.023770023    0.209555822    0.230403006
 319   Q   :    0.082610897   -0.263222967    0.030133184
 320   Q   :    0.035041893    0.106366279   -0.234468051
 321   Q   :   -0.192120410   -0.114600093    0.128651602
 322   Q   :    0.160875489    0.004741573    0.107279106
 323   Q   :    0.096781308    0.060779516   -0.238915139
 324   Q   :    0.075141882    0.121405763    0.245630934
 325   Q   :   -0.160122066   -0.177941472   -0.004795873
 326   Q   :    0.099836049   -0.114779878   -0.300797999
 327   Q   :    0.127585541    0.238867911    0.114007854
 328   Q   :   -0.221904007   -0.139828317    0.197319026
 329   Q   :    0.213360564    0.081985873   -0.103082393
 330   Q   :   -0.068000084   -0.122778909    0.208090619
 331   Q   :   -0.144667712    0.032821984   -0.094558438
 332   Q   :   -0.101888095   -0.067738087   -0.262299541
 333   Q   :   -0.155764294   -0.032126548    0.241420407
 334   Q   :    0.253108719    0.096516589    0.010610543
 335   Q   :    0.280767621   -0.058041367    0.056307386
 336   Q   :   -0.161655658   -0.128077782   -0.195919619
 337   Q   :   -0.115119512    0.194419510    0.132033988
 338   Q   :    0.112350030   -0.240546436   -0.136891091
 339   Q   :   -0.018416829    0.043109168    0.261654737
 340   Q   :   -0.095087697    0.197428412   -0.118415107
 341   Q   :    0.052429435   -0.293032202    0.031447964
 342   Q   :   -0.201538501    0.121249290   -0.196814725
 343   Q   :    0.145627950    0.169772322    0.156306054
 344   Q   :    0.097803490    0.047572762   -0.261703219
 345   Q   :    0.145506599   -0.045910988    0.222938334
 346   Q   :   -0.240143059   -0.003456983    0.037814474
 347   Q   :   -0.156003778   -0.238030518   -0.002697447
 348   Q   :   -0.105572765    0.270152121    0.034394082
 349   Q   :    0.253172737   -0.040860573   -0.039180909
 350   Q   :    0.122814644   -0.062844357   -0.214121206
 351   Q   :   -0.221953116    0.181986860    0.023681625
 352   Q   :    0.095268177   -0.118469495    0.202951925
 353   Q   :    0.072458781   -0.139781245    0.235098067
 354   Q   :   -0.052967597    0.283974318   -0.037765649
 355   Q   :   -0.007971332   -0.135798798   -0.198854211
 356   Q   :   -0.072974033   -0.103113015   -0.210111587
 357   Q   :   -0.120370135    0.235594180    0.111772794
 358   Q   :    0.191917031   -0.122550273    0.097811856
 359   Q   :    0.026948303   -0.176978167    0.231785199
 360   Q   :   -0.220704061    0.093158363   -0.064739236
 361   Q   :    0.203865080    0.079444523   -0.167980041
 362   Q   :   -0.005197042   -0.111649893   -0.203281065
 363   Q   :    0.126767367    0.195870464    0.104898808
 364   Q   :   -0.116399562   -0.075673794    0.096187097
 365   Q   :    0.278680024    0.139663128    0.024794997
 366   Q   :   -0.218879795    0.096913521    0.192233841
 367   Q   :   -0.062976215   -0.229659179   -0.219005695
 368   Q   :    0.141126478   -0.220055849   -0.079549567
 369   Q   :   -0.089746420    0.198598348   -0.148532570
 370   Q   :   -0.066496853    0.018033098    0.222951898
 371   Q   :    0.117514694   -0.142874267   -0.203930691
 372   Q   :    0.084951780    0.301384174    0.050088275
 373   Q   :   -0.208733855   -0.152156680    0.158923288
 374   Q   :   -0.162602103   -0.242386897    0.077114186
 375   Q   :   -0.110383091    0.267317046   -0.030414028
 376   Q   :    0.278178152   -0.023755471   -0.050956111
 377   Q   :   -0.164837782   -0.118522031   -0.177158337
 378   Q   :    0.130248467    0.241315873   -0.056436036
 379   Q   :    0.043374192   -0.115268023    0.239298387
 380   Q   :    0.225112565    0.009144201   -0.182425117
 381   Q   :   -0.263813776    0.065866225   -0.023341003
 382   Q   :    0.031102009   -0.068919803    0.198456151
 383   Q   :   -0.298965948   -0.007388509    0.124632536
 384   Q   :    0.188631387   -0.237444893    0.050122888
 385   Q   :    0.107330331    0.250539593   -0.181138560
 386   Q   :   -0.103783829    0.130926806   -0.231882147
 387   Q   :   -0.000874063    0.085751575    0.262986908
 388   Q   :    0.108779423   -0.218214189   -0.032571134
 389   Q   :    0.282383388    0.093485036    0.036391508
 390   Q   :   -0.165323669   -0.023502296    0.238097820
 391   Q   :   -0.116508584   -0.074881427   -0.260112341
 392   Q   :    0.189701328   -0.137879310    0.140750063
 393   Q   :   -0.192347398    0.158605086    0.119141532
 394   Q   :    0.001842853   -0.020266528   -0.270918738
 395   Q   :    0.135963548    0.017292135    0.202020050
 396   Q   :   -0.257344544    0.095635217   -0.067967154
 397   Q   :    0.118990946   -0.105486304   -0.126080517
 398   Q   :    0.242869639   -0.176566745   -0.031292485
 399   Q   :   -0.090906466   -0.009302239    0.291417968
 400   Q   :   -0.149342673    0.185722824   -0.257389532
 401   Q   :   -0.040528011   -0.252347904    0.112827618
 402   Q   :   -0.179937823    0.135327402   -0.189373641
 403   Q   :    0.221302826    0.120130740    0.070086311
 404   Q   :   -0.247277249    0.130337617    0.020112620
 405   Q   :    0.259022935    0.085493129   -0.100447911
 406   Q   :   -0.006437799   -0.206158232    0.071234486
 407   Q   :    0.276498762    0.003344215    0.019983727
 408   Q   :   -0.154955485   -0.190254244    0.006601166
 409   Q   :   -0.109172937    0.191881634   -0.020274628
 410   Q   :    0.153478485   -0.051547569    0.214201298
 411   Q   :   -0.083783341    0.265565808   -0.100749797
 412   Q   :   -0.071016344   -0.217621018   -0.129408683
 413   Q   :    0.131542609    0.015999497    0.204540976
 414   Q   :    0.070395665   -0.025527387   -0.260064622
 415   Q   :   -0.204822860    0.011888658    0.039546791
 416   Q   :    0.041076848   -0.240283183    0.120180800
 417   Q   :   -0.129866075    0.047883001   -0.221544133
 418   Q   :    0.091267522    0.185282952    0.102557013
 419   Q   :    0.186952118    0.040844149    0.168207170
 420   Q   :   -0.249501257   -0.143062119    0.025676956
 421   Q   :    0.053996517    0.109269616   -0.197348750
 422   Q   :   -0.251577890   -0.044772165    0.072925392
 423   Q   :    0.097520178    0.308983961    0.002643882
 424   Q   :    0.168110938   -0.259324513   -0.085067287
 425   Q   :    0.070674924   -0.253330741    0.131656444
 426   Q   :   -0.141712952    0.017055638   -0.194397326
 427   Q   :    0.074721902    0.234907870    0.059726006
 428   Q   :    0.211796761   -0.123681739    0.168584151
 429   Q   :   -0.234131557    0.110861084    0.106252270
 430   Q   :    0.031993962    0.019100086   -0.266661419
 431   Q   :   -0.031354800   -0.259344220   -0.118903430
 432   Q   :    0.188786062    0.138138776    0.037637273
 433   Q   :   -0.158792651    0.111240621    0.074439126
 434   Q   :    0.146091914   -0.224160619    0.051522359
 435   Q   :   -0.199231326    0.094247022    0.168211609
 436   Q   :    0.061842841    0.126099621   -0.223713314
 437   Q   :    0.113372772   -0.137782576    0.268642141
 438   Q   :   -0.110727030   -0.149577019   -0.219732292
 439   Q   :   -0.004793839    0.293413467   -0.046810912
 440   Q   :   -0.098193066   -0.109309555    0.243249125
 441   Q   :    0.254737112   -0.015267115   -0.087473662
 442   Q   :   -0.157949282    0.119086409   -0.147574033
 443   Q   :    0.053348923    0.211939012   -0.134533154
 444   Q   :   -0.105866317   -0.012437349    0.247840923
 445   Q   :    0.050199761   -0.209800826   -0.105177983
 446   Q   :   -0.243761194   -0.112888682   -0.134466006
 447   Q   :    0.265080618   -0.055944045   -0.082691476
 448   Q   :   -0.023351024    0.169790921    0.205190204
 449   Q   :   -0.207241379    0.143001637    0.045193878
 450   Q   :    0.125573529   -0.174020227    0.176073263
 451   Q   :    0.077480494    0.034452834   -0.214114264
 452   Q   :   -0.181491316   -0.105464404   -0.163868611
 453   Q   :    0.146671515    0.217661403   -0.002605887
 454   Q   :    0.037394188   -0.116386063    0.153631061
 455   Q   :    0.029500664    0.245031720    0.129438909
 456   Q   :   -0.148482485   -0.068682360   -0.238538968
 457   Q   :    0.121111771   -0.171668558    0.101455504
 458   Q   :   -0.011023583    0.106577122   -0.258576480
 459   Q   :   -0.063025108    0.135977382    0.231829001
 460   Q   :    0.062162536   -0.243844022    0.018676577
 461   Q   :    0.085361568    0.263167874   -0.124695937
 462   Q   :    0.174882609   -0.217789370    0.095080913
 463   Q   :   -0.245720319   -0.045685871    0.024550113
 464   Q   :   -0.289775105   -0.104280661   -0.113028911
 465   Q   :    0.241316460   -0.224260599    0.084551210
 466   Q   :    0.050802739    0.330290453    0.030514404
 467   Q   :   -0.059810836   -0.173639471    0.201577746
 468   Q   :    0.149293730    0.235251156    0.015559662
 469   Q   :   -0.088801506   -0.056233984   -0.213030947
 470   Q   :   -0.095358496    0.199872828    0.152389406
 471   Q   :    0.129039147    0.070903520   -0.236246273
 472   Q   :   -0.027307398   -0.260859060    0.085637400
 473   Q   :    0.208323156    0.168770145    0.057928706
 474   Q   :    0.058126127   -0.229699999   -0.153286807
 475   Q   :   -0.260099302    0.048113865    0.091331582
 476   Q   :    0.154673660    0.217304869    0.030286786
 477   Q   :    0.074762451   -0.265247608   -0.098180252
 478   Q   :   -0.223806103    0.038780286    0.071490009
 479   Q   :   -0.274332091    0.061887550   -0.014910329
 480   Q   :    0.102969334   -0.286034711    0.023540568
 481   Q   :    0.173067363    0.222100702   -0.009834620
 482   Q   :   -0.094607760   -0.258219854   -0.079618271
 483   Q   :   -0.000893261    0.094957686    0.250129245
 484   Q   :    0.103247227    0.160011070   -0.178090858
 485   Q   :   -0.001669872    0.125525775    0.265058183
 486   Q   :    0.164399249    0.028686711   -0.184074256
 487   Q   :   -0.160521562   -0.157929888   -0.080226420
 488   Q   :   -0.101714524   -0.181052511    0.170017543
 489   Q   :   -0.111484553    0.250762314   -0.066460164
 490   Q   :    0.207011290   -0.062981132   -0.117168467
 491   Q   :   -0.019552539   -0.151446374   -0.268437975
 492   Q   :   -0.075904236    0.254287444    0.050913922
 493   Q   :    0.092886490   -0.099473983    0.207732838
 494   Q   :   -0.062375546    0.120470767   -0.259226126
 495   Q   :   -0.179483744   -0.082223244    0.172745119
 496   Q   :    0.242556670   -0.030462435    0.076333284
 497   Q   :   -0.117540831   -0.240033289   -0.037857537
 498   Q   :    0.159562616    0.092863284   -0.147950397
 499   Q   :   -0.041899368    0.142473322    0.180594403
 500   Q   :    0.067308043    0.082831058   -0.264226243
 501   Q   :   -0.126954531    0.195823563    0.173529753
 502   Q   :    0.051794828   -0.268811217    0.098865012
 503   Q   :   -0.085853551   -0.281691749   -0.020371197
 504   Q   :    0.157020409    0.119617262   -0.178537493
 505   Q   :   -0.084298421    0.159459670    0.200017154
 506   Q   :   -0.061433294    0.273859168    0.048824941
 507   Q   :    0.174537539   -0.106418417   -0.185381289
 508   Q   :   -0.104445196   -0.174745378    0.136681578
 509   Q   :    0.217476388    0.116642875   -0.150962440
 510   Q   :   -0.064872851   -0.292980379    0.004579620
 511   Q   :   -0.140953517    0.165790904    0.149844972
 512   Q   :    0.030262539   -0.228323146    0.154691923
 513   Q   :    0.088319092    0.238150872    0.041795953
 514   Q   :   -0.112409348   -0.009085900   -0.187111298
 515   Q   :   -0.005843148   -0.034814745    0.259800041
 516   Q   :   -0.152911514   -0.128930533   -0.202888934
 517   Q   :    0.158415983    0.163173894   -0.059492762
 518   Q   :    0.067851459    0.094258271    0.230726634
 519   Q   :    0.001805612   -0.227411212   -0.124202934
 520   Q   :   -0.071344216    0.134889003   -0.108027843
 521   Q   :    0.232365762   -0.138160924    0.007942260
 522   Q   :   -0.181263588   -0.021717979   -0.172324507
 523   Q   :   -0.040959157    0.162527401    0.176074784
 524   Q   :    0.167680929    0.191469086   -0.072750938
 525   Q   :   -0.265011474   -0.057925535   -0.152007031
 526   Q   :    0.089315568   -0.137224406    0.226718945
 527   Q   :   -0.013422382    0.288374815   -0.055546811
 528   Q   :    0.197189757   -0.167150137   -0.003686256
 529   Q   :   -0.179925668   -0.129810354    0.062670532
 530   Q   :    0.247993086    0.037527863    0.126177014
 531   Q   :   -0.202975370   -0.120917299    0.081791778
 532   Q   :   -0.045039443    0.075634860   -0.217128187
 533   Q   :   -0.154023079    0.270378048    0.051144422
 534   Q   :    0.196301668    0.011553912   -0.186331929
 535   Q   :   -0.052964218   -0.275332833    0.140732177
 536   Q   :    0.191851061    0.072546200   -0.190747589
 537   Q   :    0.015065443    0.017543078    0.248441441
 538   Q   :   -0.198391275   -0.081564180   -0.072189207
 539   Q   :    0.134136884    0.246680905   -0.051810577
 540   Q   :   -0.292188755   -0.008929836   -0.026402355
 541   Q   :    0.152488487   -0.228371575    0.082912018
 542   Q   :    0.210236161    0.096725588   -0.126463341
 543   Q   :    0.001103813   -0.228597845    0.135451711
 544   Q   :   -0.197138643    0.129942188   -0.021490700
 545   Q   :   -0.265314078    0.002045265   -0.030011274
 546   Q   :    0.157326382    0.093003621    0.217193507
 547   Q   :    0.102968965   -0.100092739   -0.199873012
 548   Q   :    0.029604888    0.206559130    0.219447350
 549   Q   :   -0.124803709   -0.263192739    0.032617001
 550   Q   :    0.082141037    0.062584919   -0.250158998
 551   Q   :   -0.300039855    0.024396156   -0.044191962
 552   Q   :    0.174454962    0.284519904   -0.003801254
 553   Q   :    0.126119299   -0.303061726    0.054900428
 554   Q   :    0.002815995   -0.237745978    0.168571917
 555   Q   :   -0.165678812    0.225356965    0.098681388
 556   Q   :    0.157564004    0.002949774   -0.265372483
 557   Q   :    0.220321314   -0.001647039   -0.196538290
 558   Q   :   -0.029920839    0.223346824    0.173716310
 559   Q   :   -0.180629896   -0.221880010    0.013535246
 560   Q   :    0.129283154   -0.213540553    0.146227922
 561   Q   :   -0.327457200    0.011474287    0.014441963
 562   Q   :    0.194418595    0.195694154   -0.152166037
 563   Q   :   -0.142973110    0.041937872    0.226163230
 564   Q   :   -0.127514171   -0.059446826   -0.254052375
 565   Q   :    0.260842070    0.020008807    0.019274661
 566   Q   :   -0.210359714   -0.216699210    0.076376261
 567   Q   :   -0.023750702    0.150253158   -0.222208919
 568   Q   :    0.224727460    0.050533391    0.155420852
 569   Q   :    0.155415923    0.040090299    0.224965448
 570   Q   :   -0.131893276    0.196409709   -0.148268491
 571   Q   :   -0.022175804   -0.237184257   -0.077944161
 572   Q   :   -0.278837974   -0.109682564    0.085702753
 573   Q   :    0.132189398    0.183678770    0.161591971
 574   Q   :    0.144255915   -0.076736018   -0.253857476
 575   Q   :    0.128046136   -0.272551675    0.082314850
 576   Q   :   -0.269623295    0.022298819   -0.122194511
 577   Q   :    0.146217748    0.250706708    0.048122435
 578   Q   :    0.199449191    0.115284377    0.201456630
 579   Q   :   -0.293724938    0.055507781    0.014548323
 580   Q   :    0.094858427   -0.173002893   -0.216434041
 581   Q   :   -0.188656503   -0.228338415    0.014428877
 582   Q   :    0.162245035    0.041846494   -0.204469607
 583   Q   :    0.016338892    0.182845547    0.187363775
 584   Q   :   -0.222544353    0.055974052    0.186841785
 585   Q   :   -0.019306557   -0.139229886   -0.244480598
 586   Q   :    0.253008930    0.085122321    0.064241493
 587   Q   :    0.060892496    0.002410535   -0.287211727
 588   Q   :   -0.038289134   -0.236289051    0.160691140
 589   Q   :   -0.021941415    0.233209075    0.135494730
 590   Q   :    0.243021134    0.106362101    0.051059296
 591   Q   :   -0.266839110    0.127122574    0.072366046
 592   Q   :    0.029465095   -0.227735622   -0.124799622
 593   Q   :    0.153723991   -0.232162695   -0.077720940
 594   Q   :   -0.045030423    0.092416060    0.260978243
 595   Q   :   -0.112520108    0.125354226   -0.181069857
 596   Q   :    0.185614943    0.229348208   -0.028992451
 597   Q   :   -0.058768228   -0.186989376   -0.188829663
 598   Q   :   -0.134179497   -0.035554851    0.221957983
 599   Q   :   -0.163727254   -0.044784588   -0.188288716
 600   Q   :    0.097614512    0.244291269    0.065421265
 601   Q   :    0.063217873   -0.189712854    0.131205601
 602   Q   :    0.033760073    0.169863240   -0.191877790
 603   Q   :    0.143410345   -0.140656901    0.149155843
 604   Q   :   -0.186626456   -0.030356926    0.030770007
 605   Q   :   -0.203351983    0.112528354    0.060533512
 606   Q   :    0.220773731    0.079427590   -0.071859586
 607   Q   :   -0.017955578   -0.191280735    0.026921228
 608   Q   :   -0.217611235   -0.115844174   -0.139575719
 609   Q   :    0.152374072    0.247563054   -0.131658970
 610   Q   :    0.068466857   -0.128173391    0.277828051
 611   Q   :    0.148517753   -0.183665158    0.100913105
 612   Q   :   -0.271108635   -0.073413247   -0.099553111
 613   Q   :    0.112021985    0.257080987   -0.006501588
 614   Q   :    0.042245211    0.019913660   -0.276982201
 615   Q   :   -0.163191018   -0.254064653    0.077214769
 616   Q   :    0.114840463    0.233007194    0.207991277

Difference to translation invariance:
           :    0.0002579205    0.0005379756   -0.0000637134

Difference to rotation invariance:
           :   -0.0168113083    0.0021367194    0.0139318484

Norm of the cartesian gradient     ...    6.2812707802
RMS gradient                       ...    0.1461155821
MAX gradient                       ...    0.3302904532

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

Total SCF gradient time            ...      177.959 sec

One electron gradient       ....      21.817 sec  ( 12.3%)
RI-J Coulomb gradient       ....       9.277 sec  (  5.2%)
COSX gradient               ....     111.083 sec  ( 62.4%)
XC gradient                 ....      13.698 sec  (  7.7%)

Maximum memory used throughout the entire SCFGRAD-calculation: 753.7 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                                         ... final019.orca.gbw
Electron density                                ... final019.orca.scfp
The origin for moment calculation is the CENTER OF MASS  = (20.723670, 20.515381 21.148469)

-------------
DIPOLE MOMENT
-------------
                                X             Y             Z
Electronic contribution:     -0.08163       0.17865       0.01518
Nuclear contribution   :     -4.85404       3.60620       3.72586
                        -----------------------------------------
Total Dipole Moment    :     -4.93567       3.78484       3.74104
                        -----------------------------------------
Magnitude (a.u.)       :      7.25819
Magnitude (Debye)      :     18.44885



--------------------
Rotational spectrum 
--------------------
 
Rotational constants in cm-1:     0.001911     0.001524     0.001226 
Rotational constants in MHz :    57.288852    45.687057    36.753269 

 Dipole components along the rotational axes: 
x,y,z [a.u.] :     6.376118     1.664429     3.042383 
x,y,z [Debye]:    16.206803     4.230644     7.733123 

 

Timings for individual modules:

Sum of individual times         ...      795.506 sec (=  13.258 min)
GTO integral calculation        ...       12.572 sec (=   0.210 min)   1.6 %
SCF iterations                  ...      601.075 sec (=  10.018 min)  75.6 %
SCF Gradient evaluation         ...      181.858 sec (=   3.031 min)  22.9 %
                             ****ORCA TERMINATED NORMALLY****
TOTAL RUN TIME: 0 days 0 hours 13 minutes 23 seconds 600 msec
