
                                 *****************
                                 * 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 = final053.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  9.68  10.19  12.08  #1
| 28>   H  8.9  9.51  11.69  #2
| 29>   H  9.29  11.17  11.95  #3
| 30>   C  11  10.12  11.32  #4
| 31>   H  11.69  10.77  11.88  #5
| 32>   H  11.33  9.09  11.48  #6
| 33>   C  10.86  10.42  9.84  #7
| 34>   H  10.17  11.26  9.84  #8
| 35>   H  10.39  9.63  9.24  #9
| 36>   C  12.17  10.83  9.14  #10
| 37>   H  11.96  10.96  8.1  #11
| 38>   H  12.96  10.12  9.23  #12
| 39>   O  12.61  12.07  9.82  #13
| 40>   H  12.02  12.77  9.54  #14
| 41>   O  9.96  10.1  13.51  #15
| 42>   H  9.66  9.24  13.76  #16
| 43>   O  9.42  11.51  6.83  #17
| 44>   H  9.41  12.11  6.08  #18
| 45>   H  8.68  11.84  7.33  #19
| 46>   O  8.24  14.09  12.01  #20
| 47>   H  8.46  14.86  12.56  #21
| 48>   H  8.27  13.39  12.67  #22
| 49>   O  7.25  9.34  15.64  #23
| 50>   H  7.13  8.95  14.78  #24
| 51>   H  8.2  9.15  15.86  #25
| 52>   O  8.6  12.56  14.41  #26
| 53>   H  8.75  11.58  14.27  #27
| 54>   H  9.48  12.9  14.38  #28
| 55>   O  15.31  12.21  10.66  #29
| 56>   H  15.65  11.33  10.83  #30
| 57>   H  14.36  12.12  10.36  #31
| 58>   O  11.86  14.8  8.64  #32
| 59>   H  11.88  14.43  7.69  #33
| 60>   H  11.03  14.38  8.97  #34
| 61>   O  14.59  14.54  12.48  #35
| 62>   H  15.17  13.83  12.1  #36
| 63>   H  15.19  15.2  12.92  #37
| 64>   O  6.08  11.86  13.07  #38
| 65>   H  5.73  12.75  12.87  #39
| 66>   H  6.44  11.72  13.95  #40
| 67>   O  6.93  12.52  8.56  #41
| 68>   H  6.58  12.74  7.7  #42
| 69>   H  6.39  13.01  9.25  #43
| 70>   O  7.13  13.48  5.69  #44
| 71>   H  6.58  14.26  6.04  #45
| 72>   H  7.94  13.85  5.57  #46
| 73>   O  11.54  11.91  14.79  #47
| 74>   H  11.09  11.26  14.23  #48
| 75>   H  12.4  12.05  14.4  #49
| 76>   O  10.11  15.04  14.51  #50
| 77>   H  9.79  15.47  15.3  #51
| 78>   H  11.07  15.11  14.5  #52
| 79>   O  7.03  8.65  12.76  #53
| 80>   H  6.8  8.9  11.81  #54
| 81>   H  6.56  7.85  13.07  #55
| 82>   O  6.8  12.89  16.38  #56
| 83>   H  6.69  12.15  16.94  #57
| 84>   H  7.58  12.71  15.83  #58
| 85>   O  5.83  10.7  17.81  #59
| 86>   H  4.97  10.41  17.46  #60
| 87>   H  6.41  9.99  17.49  #61
| 88>   O  14.24  11.42  5.69  #62
| 89>   H  13.59  12.05  5.91  #63
| 90>   H  13.77  10.58  5.59  #64
| 91>   O  10.22  9.16  5.71  #65
| 92>   H  9.88  9.97  6.21  #66
| 93>   H  10.78  8.71  6.31  #67
| 94>   O  9.41  13.63  9.63  #68
| 95>   H  8.69  13.3  9.17  #69
| 96>   H  9.2  13.62  10.57  #70
| 97>   O  6.57  10.33  10.55  #71
| 98>   H  6.97  11.02  9.99  #72
| 99>   H  6.52  10.81  11.42  #73
|100>   O  15.96  12.11  7.98  #74
|101>   H  15.25  11.87  7.38  #75
|102>   H  15.71  12.02  8.94  #76
|103>   O  9.25  17.46  13.28  #77
|104>   H  9.65  16.65  13.58  #78
|105>   H  8.55  17.77  13.88  #79
|106>   O  9.9  7.48  13.55  #80
|107>   H  9.59  6.58  13.58  #81
|108>   H  10.83  7.48  13.83  #82
|109>   O  8.77  7.73  8.46  #83
|110>   H  9.12  7.55  9.35  #84
|111>   H  9.62  7.67  8  #85
|112>   O  16.38  9.4  11.04  #86
|113>   H  16.07  8.9  10.2  #87
|114>   H  17.35  9.19  11.08  #88
|115>   O  5.46  7.11  14.6  #89
|116>   H  5.81  7.28  15.48  #90
|117>   H  5.02  6.27  14.67  #91
|118>   O  5.87  13.95  10.6  #92
|119>   H  6.63  14.12  11.19  #93
|120>   H  5.04  13.89  11.14  #94
|121>   O  10.11  13.31  4.59  #95
|122>   H  9.83  12.68  3.91  #96
|123>   H  9.89  14.19  4.27  #97
|124>   O  9.01  6.82  11.09  #98
|125>   H  8.06  6.89  11.15  #99
|126>   H  9.3  7.11  11.96  #100
|127>   O  8.52  8.3  17.94  #101
|128>   H  9.44  7.98  17.87  #102
|129>   H  8.45  8.61  18.83  #103
|130>   Q  0.6645  19.01$  10.49$  3.96$
|131>   Q  0.6645  18.81$  11.78$  4.82$
|132>   Q  -1.3290  18.55$  11.06$  4.43$
|133>   Q  0.6645  13.23$  16.24$  14.64$
|134>   Q  0.6645  13.25$  15.16$  13.53$
|135>   Q  -1.3290  12.91$  15.76$  14.01$
|136>   Q  0.6645  18.6$  13.94$  5.69$
|137>   Q  0.6645  19.29$  14.12$  4.29$
|138>   Q  -1.3290  19.16$  13.79$  5.08$
|139>   Q  0.6645  7.23$  5.14$  12.76$
|140>   Q  0.6645  7.18$  4.97$  11.23$
|141>   Q  -1.3290  6.87$  5.2$  11.97$
|142>   Q  0.6645  8.74$  15.71$  6.21$
|143>   Q  0.6645  8.34$  16.3$  4.81$
|144>   Q  -1.3290  8.82$  15.83$  5.36$
|145>   Q  0.6645  2.7$  15.13$  6.27$
|146>   Q  0.6645  3.31$  13.63$  5.9$
|147>   Q  -1.3290  3.03$  14.46$  5.78$
|148>   Q  0.6645  5.25$  17.61$  12.68$
|149>   Q  0.6645  4.18$  17.29$  13.73$
|150>   Q  -1.3290  4.92$  17.22$  13.34$
|151>   Q  0.6645  13.28$  2.36$  10.58$
|152>   Q  0.6645  14.77$  2.21$  10.47$
|153>   Q  -1.3290  14$  2.42$  10.21$
|154>   Q  0.6645  18.16$  5.65$  15.5$
|155>   Q  0.6645  19.3$  6.69$  15.93$
|156>   Q  -1.3290  18.92$  6.04$  15.46$
|157>   Q  0.6645  8.91$  10.25$  20.41$
|158>   Q  0.6645  8.56$  9.06$  21.39$
|159>   Q  -1.3290  8.69$  9.48$  20.64$
|160>   Q  0.6645  18.01$  17.68$  4.56$
|161>   Q  0.6645  17.34$  17.84$  5.93$
|162>   Q  -1.3290  18.02$  17.74$  5.41$
|163>   Q  0.6645  5.33$  11.67$  3.3$
|164>   Q  0.6645  6.6$  11.05$  3.63$
|165>   Q  -1.3290  5.78$  11.01$  3.51$
|166>   Q  0.6645  4.28$  11.19$  13.98$
|167>   Q  0.6645  3.52$  9.82$  13.78$
|168>   Q  -1.3290  3.61$  10.63$  14.02$
|169>   Q  0.6645  19.04$  16.39$  6.67$
|170>   Q  0.6645  18.24$  15.87$  7.92$
|171>   Q  -1.3290  18.93$  16.06$  7.47$
|172>   Q  0.6645  12.39$  8.72$  4.58$
|173>   Q  0.6645  13.49$  8.27$  5.66$
|174>   Q  -1.3290  13.08$  8.79$  5.07$
|175>   Q  0.6645  12.36$  12.24$  2.28$
|176>   Q  0.6645  12.61$  12.39$  0.76$
|177>   Q  -1.3290  12.65$  12.61$  1.58$
|178>   Q  0.6645  9.96$  11.98$  -0.31$
|179>   Q  0.6645  8.53$  12.53$  -0.08$
|180>   Q  -1.3290  9.25$  12.09$  0.12$
|181>   Q  0.6645  9.39$  17.88$  8.17$
|182>   Q  0.6645  10.25$  19.16$  8.58$
|183>   Q  -1.3290  9.67$  18.72$  8.12$
|184>   Q  0.6645  20.33$  10.57$  6.86$
|185>   Q  0.6645  18.85$  10.04$  6.95$
|186>   Q  -1.3290  19.6$  10.32$  7.27$
|187>   Q  0.6645  19.26$  6.9$  8.7$
|188>   Q  0.6645  19.42$  8.15$  7.82$
|189>   Q  -1.3290  19.21$  7.31$  7.99$
|190>   Q  0.6645  10.66$  8.2$  2.93$
|191>   Q  0.6645  9.77$  8.84$  4.05$
|192>   Q  -1.3290  10$  8.67$  3.26$
|193>   Q  0.6645  6.4$  8.29$  3.01$
|194>   Q  0.6645  6.2$  6.83$  3.57$
|195>   Q  -1.3290  6.52$  7.64$  3.56$
|196>   Q  0.6645  17.67$  16.38$  10.09$
|197>   Q  0.6645  18.27$  15.16$  10.69$
|198>   Q  -1.3290  17.93$  15.93$  10.72$
|199>   Q  0.6645  1.33$  9.15$  15.13$
|200>   Q  0.6645  1.72$  8.06$  14.22$
|201>   Q  -1.3290  1.55$  8.4$  14.97$
|202>   Q  0.6645  17.59$  12.81$  8.04$
|203>   Q  0.6645  18.67$  11.92$  7.78$
|204>   Q  -1.3290  18.4$  12.62$  8.09$
|205>   Q  0.6645  13.69$  14.25$  19.33$
|206>   Q  0.6645  12.81$  13.46$  18.31$
|207>   Q  -1.3290  13.48$  13.6$  18.83$
|208>   Q  0.6645  12.74$  10.87$  20.77$
|209>   Q  0.6645  12.81$  12.42$  20.26$
|210>   Q  -1.3290  12.57$  11.74$  20.74$
|211>   Q  0.6645  2.54$  7.71$  9.91$
|212>   Q  0.6645  3.91$  8.21$  9.86$
|213>   Q  -1.3290  3.26$  7.92$  10.27$
|214>   Q  0.6645  5.55$  0.79$  10.63$
|215>   Q  0.6645  6.32$  2.15$  10.7$
|216>   Q  -1.3290  5.88$  1.47$  11.01$
|217>   Q  0.6645  5.13$  11.59$  5.92$
|218>   Q  0.6645  4.32$  11.33$  7.15$
|219>   Q  -1.3290  4.44$  11.68$  6.39$
|220>   Q  0.6645  9.78$  2.3$  19.4$
|221>   Q  0.6645  10.54$  2.63$  20.66$
|222>   Q  -1.3290  10.35$  2.21$  19.99$
|223>   Q  0.6645  8.92$  15.52$  8.66$
|224>   Q  0.6645  7.81$  16.57$  8.21$
|225>   Q  -1.3290  8.54$  16.14$  8.18$
|226>   Q  0.6645  16.08$  14.05$  8.88$
|227>   Q  0.6645  15.59$  15.53$  8.93$
|228>   Q  -1.3290  16.11$  14.91$  8.7$
|229>   Q  0.6645  13.73$  20.37$  3.32$
|230>   Q  0.6645  13.05$  19.3$  4.28$
|231>   Q  -1.3290  13.65$  19.61$  3.76$
|232>   Q  0.6645  14.43$  13.64$  1.61$
|233>   Q  0.6645  15.14$  14.92$  2.14$
|234>   Q  -1.3290  14.91$  14.33$  1.57$
|235>   Q  0.6645  3.51$  13.96$  12.78$
|236>   Q  0.6645  4.41$  15.14$  13.35$
|237>   Q  -1.3290  4.23$  14.37$  13.06$
|238>   Q  0.6645  11.3$  13.48$  16.29$
|239>   Q  0.6645  10.33$  13.33$  17.46$
|240>   Q  -1.3290  11.08$  13.49$  17.09$
|241>   Q  0.6645  19.7$  9.4$  11.4$
|242>   Q  0.6645  18.91$  8.26$  11.87$
|243>   Q  -1.3290  19.07$  9.1$  11.86$
|244>   Q  0.6645  16.55$  4.91$  10.79$
|245>   Q  0.6645  16.41$  4.48$  12.19$
|246>   Q  -1.3290  16.86$  4.61$  11.5$
|247>   Q  0.6645  9.37$  0.39$  16.85$
|248>   Q  0.6645  8.57$  1.8$  16.67$
|249>   Q  -1.3290  8.83$  0.99$  16.48$
|250>   Q  0.6645  14.24$  13.19$  13.76$
|251>   Q  0.6645  14.34$  13.49$  15.28$
|252>   Q  -1.3290  14.21$  13$  14.59$
|253>   Q  0.6645  7.44$  18.24$  11.17$
|254>   Q  0.6645  7.49$  19.07$  12.46$
|255>   Q  -1.3290  7.09$  18.63$  11.82$
|256>   Q  0.6645  10.67$  7.15$  21.31$
|257>   Q  0.6645  11.92$  6.44$  21.12$
|258>   Q  -1.3290  11.33$  6.91$  20.85$
|259>   Q  0.6645  20.31$  6.1$  10.96$
|260>   Q  0.6645  20.96$  5.06$  10.04$
|261>   Q  -1.3290  20.77$  5.84$  10.32$
|262>   Q  0.6645  6.1$  8.61$  5.61$
|263>   Q  0.6645  6.15$  8.05$  7.06$
|264>   Q  -1.3290  5.78$  8.43$  6.38$
|265>   Q  0.6645  18.11$  5.84$  5.08$
|266>   Q  0.6645  17.98$  6.78$  6.33$
|267>   Q  -1.3290  18.07$  6.6$  5.5$
|268>   Q  0.6645  17.06$  2.69$  7.5$
|269>   Q  0.6645  16.96$  2.56$  9.15$
|270>   Q  -1.3290  17.26$  2.87$  8.38$
|271>   Q  0.6645  14.24$  7$  7.4$
|272>   Q  0.6645  14.25$  6.15$  6.13$
|273>   Q  -1.3290  14.05$  6.81$  6.62$
|274>   Q  0.6645  3.28$  10.56$  15.94$
|275>   Q  0.6645  2.93$  11.17$  17.26$
|276>   Q  -1.3290  3.19$  10.54$  16.79$
|277>   Q  0.6645  0.5$  9.43$  12.06$
|278>   Q  0.6645  -0.18$  8.94$  13.4$
|279>   Q  -1.3290  0.25$  8.87$  12.65$
|280>   Q  0.6645  6.36$  18.23$  14.31$
|281>   Q  0.6645  6.93$  19.5$  14.89$
|282>   Q  -1.3290  6.95$  18.67$  14.68$
|283>   Q  0.6645  14.6$  19.08$  14.37$
|284>   Q  0.6645  13.17$  19.19$  13.63$
|285>   Q  -1.3290  13.98$  19.43$  13.87$
|286>   Q  0.6645  16.36$  9.63$  6.56$
|287>   Q  0.6645  16.48$  10.31$  7.87$
|288>   Q  -1.3290  16.69$  9.71$  7.33$
|289>   Q  0.6645  14.35$  4.1$  4.87$
|290>   Q  0.6645  15.43$  3.98$  5.91$
|291>   Q  -1.3290  14.69$  4.31$  5.59$
|292>   Q  0.6645  18.36$  11.54$  17.11$
|293>   Q  0.6645  17.04$  11.38$  17.83$
|294>   Q  -1.3290  17.57$  11.25$  17.18$
|295>   Q  0.6645  15.13$  8.67$  1.69$
|296>   Q  0.6645  15.02$  8.89$  3.28$
|297>   Q  -1.3290  14.75$  8.66$  2.46$
|298>   Q  0.6645  11.84$  17.82$  6.23$
|299>   Q  0.6645  10.87$  18.93$  6.29$
|300>   Q  -1.3290  11.5$  18.52$  5.96$
|301>   Q  0.6645  4.08$  13.78$  20.54$
|302>   Q  0.6645  5.34$  14.05$  19.65$
|303>   Q  -1.3290  4.94$  13.9$  20.39$
|304>   Q  0.6645  13.33$  15.88$  9.62$
|305>   Q  0.6645  13.93$  15.55$  10.92$
|306>   Q  -1.3290  13.92$  15.9$  10.2$
|307>   Q  0.6645  15.55$  11.71$  4.25$
|308>   Q  0.6645  17.05$  11.7$  3.94$
|309>   Q  -1.3290  16.22$  12.02$  3.88$
|310>   Q  0.6645  -0.03$  7.07$  9.08$
|311>   Q  0.6645  0.96$  7.54$  8$
|312>   Q  -1.3290  0.64$  7.52$  8.77$
|313>   Q  0.6645  15.32$  17.44$  6.27$
|314>   Q  0.6645  15.48$  18.76$  7.02$
|315>   Q  -1.3290  15.63$  17.95$  6.84$
|316>   Q  0.6645  17.84$  9.27$  17.65$
|317>   Q  0.6645  17.49$  7.99$  18.25$
|318>   Q  -1.3290  17.43$  8.55$  17.67$
|319>   Q  0.6645  16.58$  13.28$  0.66$
|320>   Q  0.6645  17.02$  12.68$  1.93$
|321>   Q  -1.3290  17.14$  12.94$  1.13$
|322>   Q  0.6645  13.63$  8.88$  17.41$
|323>   Q  0.6645  13.13$  10.2$  17.01$
|324>   Q  -1.3290  13.05$  9.45$  17.36$
|325>   Q  0.6645  17.78$  12.39$  13.67$
|326>   Q  0.6645  18.07$  13.2$  12.43$
|327>   Q  -1.3290  17.91$  13.12$  13.24$
|328>   Q  0.6645  8.61$  16.41$  17.34$
|329>   Q  0.6645  7.78$  16.91$  16.2$
|330>   Q  -1.3290  8.46$  16.64$  16.55$
|331>   Q  0.6645  15.46$  12.74$  19.17$
|332>   Q  0.6645  16.86$  13.07$  19.65$
|333>   Q  -1.3290  16.26$  12.6$  19.26$
|334>   Q  0.6645  3.36$  8.41$  17.29$
|335>   Q  0.6645  3.36$  6.93$  16.91$
|336>   Q  -1.3290  3.51$  7.6$  17.43$
|337>   Q  0.6645  11.35$  10.09$  3.33$
|338>   Q  0.6645  12.89$  10.09$  2.9$
|339>   Q  -1.3290  12.08$  10.4$  3$
|340>   Q  0.6645  20.25$  10.12$  9.1$
|341>   Q  0.6645  21.47$  9.2$  9.58$
|342>   Q  -1.3290  20.81$  9.76$  9.68$
|343>   Q  0.6645  19.86$  14.73$  14.04$
|344>   Q  0.6645  21$  15.57$  14.6$
|345>   Q  -1.3290  20.66$  14.92$  14.17$
|346>   Q  0.6645  7.29$  3.35$  13.98$
|347>   Q  0.6645  6.22$  2.57$  13.12$
|348>   Q  -1.3290  6.53$  2.98$  13.8$
|349>   Q  0.6645  7.94$  13.72$  17.58$
|350>   Q  0.6645  8.83$  13.18$  18.87$
|351>   Q  -1.3290  8.55$  13.7$  18.21$
|352>   Q  0.6645  19.62$  7.65$  4.91$
|353>   Q  0.6645  21.18$  7.75$  4.71$
|354>   Q  -1.3290  20.36$  7.95$  4.59$
|355>   Q  0.6645  15.27$  8.6$  12.83$
|356>   Q  0.6645  15.24$  8.75$  14.35$
|357>   Q  -1.3290  15.07$  8.36$  13.61$
|358>   Q  0.6645  8.36$  19.43$  6.35$
|359>   Q  0.6645  8.09$  20.16$  4.97$
|360>   Q  -1.3290  7.92$  19.67$  5.64$
|361>   Q  0.6645  11.24$  7.07$  18.79$
|362>   Q  0.6645  11.65$  8.08$  17.71$
|363>   Q  -1.3290  11.36$  7.33$  18.01$
|364>   Q  0.6645  10.87$  11.57$  19.84$
|365>   Q  0.6645  10.01$  11.25$  18.62$
|366>   Q  -1.3290  10.18$  11.54$  19.42$
|367>   Q  0.6645  19.79$  13.18$  11.11$
|368>   Q  0.6645  18.94$  13.07$  9.9$
|369>   Q  -1.3290  19.06$  13.22$  10.72$
|370>   Q  0.6645  4.07$  14.97$  17.26$
|371>   Q  0.6645  3.56$  14.68$  15.84$
|372>   Q  -1.3290  3.54$  15.03$  16.6$
|373>   Q  0.6645  5.7$  3.71$  17.67$
|374>   Q  0.6645  6.59$  3.29$  16.52$
|375>   Q  -1.3290  6.09$  3.14$  17.21$
|376>   Q  0.6645  5.96$  2.36$  6.82$
|377>   Q  0.6645  6.8$  3.55$  6.45$
|378>   Q  -1.3290  6.42$  3.02$  6.97$
|379>   Q  0.6645  16.96$  16.17$  13.97$
|380>   Q  0.6645  16.81$  16.38$  12.42$
|381>   Q  -1.3290  16.69$  16.58$  13.27$
|382>   Q  0.6645  12.33$  6.32$  3.4$
|383>   Q  0.6645  13.01$  7.64$  2.73$
|384>   Q  -1.3290  12.35$  7.09$  2.99$
|385>   Q  0.6645  16.69$  2.27$  13.45$
|386>   Q  0.6645  17.46$  1$  13.58$
|387>   Q  -1.3290  17.39$  1.82$  13.56$
|388>   Q  0.6645  5.81$  15.82$  17.85$
|389>   Q  0.6645  5.94$  14.45$  17.27$
|390>   Q  -1.3290  5.77$  14.97$  17.87$
|391>   Q  0.6645  18.55$  15.58$  15.9$
|392>   Q  0.6645  18.18$  14.36$  14.94$
|393>   Q  -1.3290  18.1$  15.1$  15.33$
|394>   Q  0.6645  12.13$  4.48$  9.07$
|395>   Q  0.6645  11.9$  6.03$  9.21$
|396>   Q  -1.3290  12.14$  5.26$  9.44$
|397>   Q  0.6645  7.08$  7.15$  8.66$
|398>   Q  0.6645  5.68$  6.4$  8.65$
|399>   Q  -1.3290  6.24$  7.05$  8.76$
|400>   Q  0.6645  18.53$  5.69$  12.33$
|401>   Q  0.6645  19.27$  6.46$  13.43$
|402>   Q  -1.3290  19.04$  6.28$  12.64$
|403>   Q  0.6645  6.26$  6.17$  17.87$
|404>   Q  0.6645  7.39$  6.97$  17.4$
|405>   Q  -1.3290  6.78$  6.43$  17.29$
|406>   Q  0.6645  2.6$  5.26$  15.27$
|407>   Q  0.6645  1.75$  6.48$  15.68$
|408>   Q  -1.3290  2.23$  5.8$  15.79$
|409>   Q  0.6645  11.79$  19.02$  12.08$
|410>   Q  0.6645  10.51$  18.54$  12.94$
|411>   Q  -1.3290  11.18$  19.07$  12.72$
|412>   Q  0.6645  9.25$  4.36$  16.1$
|413>   Q  0.6645  7.89$  4.95$  16.5$
|414>   Q  -1.3290  8.45$  4.34$  16.36$
|415>   Q  0.6645  11.59$  13.7$  5.53$
|416>   Q  0.6645  12.75$  14.62$  5.66$
|417>   Q  -1.3290  12.27$  14$  5.93$
|418>   Q  0.6645  5.67$  4.45$  4.94$
|419>   Q  0.6645  6.71$  4.15$  3.75$
|420>   Q  -1.3290  6.39$  4.5$  4.5$
|421>   Q  0.6645  5.49$  17.87$  9.07$
|422>   Q  0.6645  6.28$  16.9$  9.92$
|423>   Q  -1.3290  6.05$  17.27$  9.2$
|424>   Q  0.6645  4.72$  15.55$  6.01$
|425>   Q  0.6645  5.47$  16.03$  7.26$
|426>   Q  -1.3290  5.4$  15.61$  6.54$
|427>   Q  0.6645  15.15$  2.8$  17.4$
|428>   Q  0.6645  14.21$  3.06$  18.49$
|429>   Q  -1.3290  14.72$  3.3$  17.89$
|430>   Q  0.6645  5.33$  5.98$  19.91$
|431>   Q  0.6645  4.4$  6.3$  18.78$
|432>   Q  -1.3290  4.9$  5.8$  19.22$
|433>   Q  0.6645  9.7$  4.26$  13.83$
|434>   Q  0.6645  9.1$  4.07$  12.53$
|435>   Q  -1.3290  9.17$  4.43$  13.24$
|436>   Q  0.6645  15.69$  5.87$  16.26$
|437>   Q  0.6645  16.03$  6.71$  14.98$
|438>   Q  -1.3290  16.01$  6.02$  15.49$
|439>   Q  0.6645  3.2$  8.2$  2.69$
|440>   Q  0.6645  4.29$  8.37$  3.85$
|441>   Q  -1.3290  3.69$  8$  3.38$
|442>   Q  0.6645  17.76$  18.52$  13.29$
|443>   Q  0.6645  18.99$  18.55$  12.4$
|444>   Q  -1.3290  18.44$  18.88$  12.91$
|445>   Q  0.6645  10.5$  6.51$  6.34$
|446>   Q  0.6645  11.99$  6.57$  6.88$
|447>   Q  -1.3290  11.13$  6.73$  6.89$
|448>   Q  0.6645  5.58$  9.76$  19.73$
|449>   Q  0.6645  4.27$  9.11$  20.51$
|450>   Q  -1.3290  5.07$  9.44$  20.4$
|451>   Q  0.6645  15.27$  4.31$  14.25$
|452>   Q  0.6645  14.4$  3.79$  13.17$
|453>   Q  -1.3290  15.09$  3.79$  13.64$
|454>   Q  0.6645  13.06$  17.76$  10.7$
|455>   Q  0.6645  13.81$  18.98$  11.04$
|456>   Q  -1.3290  13.13$  18.55$  10.89$
|457>   Q  0.6645  4.6$  4.19$  7.69$
|458>   Q  0.6645  4.06$  4.91$  8.96$
|459>   Q  -1.3290  4.44$  4.88$  8.22$
|460>   Q  0.6645  11.38$  14.29$  1.7$
|461>   Q  0.6645  10.41$  14.64$  0.59$
|462>   Q  -1.3290  10.77$  14.73$  1.34$
|463>   Q  0.6645  15.97$  8.88$  21.16$
|464>   Q  0.6645  14.35$  8.88$  21.13$
|465>   Q  -1.3290  15.17$  8.63$  21.41$
|466>   Q  0.6645  5.01$  5.37$  11.41$
|467>   Q  0.6645  3.53$  5.89$  11.31$
|468>   Q  -1.3290  4.16$  5.33$  11.32$
|469>   Q  0.6645  16.59$  19.48$  9.66$
|470>   Q  0.6645  15.84$  20.44$  10.73$
|471>   Q  -1.3290  16.09$  20.15$  9.97$
|472>   Q  0.6645  15.38$  21.08$  6.64$
|473>   Q  0.6645  15.11$  20.75$  8.25$
|474>   Q  -1.3290  14.97$  20.85$  7.37$
|475>   Q  0.6645  12.74$  5.42$  12.92$
|476>   Q  0.6645  13$  5.03$  11.48$
|477>   Q  -1.3290  12.92$  4.9$  12.3$
|478>   Q  0.6645  19.23$  17.41$  10.75$
|479>   Q  0.6645  20.51$  18.07$  10.19$
|480>   Q  -1.3290  20.04$  17.68$  10.8$
|481>   Q  0.6645  16.79$  2.4$  11.27$
|482>   Q  0.6645  16.92$  0.96$  11.04$
|483>   Q  -1.3290  16.61$  1.69$  10.87$
|484>   Q  0.6645  18.06$  10.51$  15.27$
|485>   Q  0.6645  18.56$  10.05$  13.8$
|486>   Q  -1.3290  18.45$  10.57$  14.51$
|487>   Q  0.6645  9.44$  5.8$  1.42$
|488>   Q  0.6645  9.69$  5.5$  2.88$
|489>   Q  -1.3290  9.71$  5.33$  2.05$
|490>   Q  0.6645  4.06$  7.6$  13.5$
|491>   Q  0.6645  3.4$  8.09$  12.29$
|492>   Q  -1.3290  3.49$  8.03$  13.09$
|493>   Q  0.6645  13.51$  5.03$  16.84$
|494>   Q  0.6645  12.31$  5.97$  16.89$
|495>   Q  -1.3290  12.87$  5.45$  16.52$
|496>   Q  0.6645  6.86$  3.25$  8.88$
|497>   Q  0.6645  8.12$  3.66$  9.85$
|498>   Q  -1.3290  7.32$  3.41$  9.62$
|499>   Q  0.6645  14.97$  15.32$  5.46$
|500>   Q  0.6645  14.45$  16.28$  4.42$
|501>   Q  -1.3290  14.45$  15.9$  5.17$
|502>   Q  0.6645  12.92$  9.44$  19.45$
|503>   Q  0.6645  12.21$  8.65$  20.56$
|504>   Q  -1.3290  12.73$  9.21$  20.23$
|505>   Q  0.6645  14.77$  16.2$  16.16$
|506>   Q  0.6645  13.69$  17.25$  16.5$
|507>   Q  -1.3290  14.39$  16.97$  16.13$
|508>   Q  0.6645  9.71$  17.94$  15.89$
|509>   Q  0.6645  10.61$  18.94$  15.18$
|510>   Q  -1.3290  10.27$  18.58$  15.84$
|511>   Q  0.6645  14.71$  4.5$  9.4$
|512>   Q  0.6645  16.11$  4.64$  8.71$
|513>   Q  -1.3290  15.4$  4.91$  9.14$
|514>   Q  0.6645  11.07$  3$  5.36$
|515>   Q  0.6645  10.49$  2.28$  4.19$
|516>   Q  -1.3290  10.77$  2.94$  4.6$
|517>   Q  0.6645  3.65$  6.23$  7.24$
|518>   Q  0.6645  3.74$  7.5$  6.51$
|519>   Q  -1.3290  3.33$  6.88$  6.86$
|520>   Q  0.6645  11.99$  16.55$  1.3$
|521>   Q  0.6645  13.54$  17.03$  1.55$
|522>   Q  -1.3290  12.72$  17.03$  1.19$
|523>   Q  0.6645  11.87$  21.37$  9.38$
|524>   Q  0.6645  11.75$  20.21$  10.23$
|525>   Q  -1.3290  11.44$  20.78$  9.72$
|526>   Q  0.6645  21.03$  8.84$  15.56$
|527>   Q  0.6645  20.04$  9.78$  14.74$
|528>   Q  -1.3290  20.82$  9.44$  15$
|529>   Q  0.6645  9.22$  1.06$  7.02$
|530>   Q  0.6645  10.62$  0.36$  7.37$
|531>   Q  -1.3290  9.99$  0.69$  6.88$
|532>   Q  0.6645  5.98$  9.35$  0.51$
|533>   Q  0.6645  6.28$  10$  1.85$
|534>   Q  -1.3290  6.29$  9.37$  1.3$
|535>   Q  0.6645  11.49$  0.49$  16.35$
|536>   Q  0.6645  11.02$  0.91$  14.94$
|537>   Q  -1.3290  11.49$  0.97$  15.68$
|538>   Q  0.6645  21.27$  11.45$  10.89$
|539>   Q  0.6645  22.36$  12.43$  11.56$
|540>   Q  -1.3290  21.58$  12.16$  11.28$
|541>   Q  0.6645  4.92$  3.91$  14.06$
|542>   Q  0.6645  3.97$  4.47$  12.96$
|543>   Q  -1.3290  4.24$  4.34$  13.75$
|544>   Q  0.6645  15.7$  7.63$  17.57$
|545>   Q  0.6645  14.99$  6.74$  18.53$
|546>   Q  -1.3290  15.05$  7.26$  17.89$
|547>   Q  0.6645  12.57$  6.46$  14.89$
|548>   Q  0.6645  13.32$  7.53$  13.84$
|549>   Q  -1.3290  12.66$  6.98$  14.16$
|550>   Q  0.6645  8.02$  18.22$  4.4$
|551>   Q  0.6645  8.33$  17.67$  2.93$
|552>   Q  -1.3290  7.9$  17.79$  3.66$
|553>   Q  0.6645  8.76$  15.72$  21.25$
|554>   Q  0.6645  9.22$  15.23$  19.91$
|555>   Q  -1.3290  9.33$  15.47$  20.68$
|556>   Q  0.6645  15.43$  7.02$  9.22$
|557>   Q  0.6645  16.02$  8.06$  8.26$
|558>   Q  -1.3290  15.54$  7.79$  8.92$
|559>   Q  0.6645  8.7$  7.73$  1.22$
|560>   Q  0.6645  8.08$  7.21$  -0.02$
|561>   Q  -1.3290  8.74$  7.39$  0.47$
|562>   Q  0.6645  15.99$  6.76$  0.59$
|563>   Q  0.6645  15.89$  6.31$  2.23$
|564>   Q  -1.3290  16.22$  6.41$  1.41$
|565>   Q  0.6645  13.54$  0.11$  7.65$
|566>   Q  0.6645  13.36$  1.27$  8.54$
|567>   Q  -1.3290  13.07$  0.64$  8.1$
|568>   Q  0.6645  9.16$  20.79$  10.08$
|569>   Q  0.6645  8.45$  21.27$  11.36$
|570>   Q  -1.3290  8.53$  21.1$  10.54$
|571>   Q  0.6645  14.64$  17.97$  3.03$
|572>   Q  0.6645  15.84$  17.08$  2.65$
|573>   Q  -1.3290  15.03$  17.23$  2.79$
|574>   Q  0.6645  20.59$  15.62$  8.33$
|575>   Q  0.6645  21.58$  15.18$  9.49$
|576>   Q  -1.3290  21.31$  15.34$  8.68$
|577>   Q  0.6645  1.69$  10.74$  4.77$
|578>   Q  0.6645  3.18$  10.78$  4.43$
|579>   Q  -1.3290  2.34$  10.89$  4.29$
|580>   Q  0.6645  3.52$  3.52$  10.36$
|581>   Q  0.6645  3.23$  2.05$  10.25$
|582>   Q  -1.3290  3.11$  2.85$  10.06$
|583>   Q  0.6645  8.57$  5.44$  4.91$
|584>   Q  0.6645  8.58$  6.83$  4.33$
|585>   Q  -1.3290  8.93$  6.12$  4.64$
|586>   Q  0.6645  2.59$  12.2$  11.65$
|587>   Q  0.6645  2.59$  11.84$  13.09$
|588>   Q  -1.3290  2.43$  12.36$  12.46$
|589>   Q  0.6645  0.64$  5.84$  11.54$
|590>   Q  0.6645  1.59$  6.69$  12.3$
|591>   Q  -1.3290  1.31$  5.96$  12$
|592>   Q  0.6645  16.8$  9.87$  4.2$
|593>   Q  0.6645  16.87$  8.29$  4.65$
|594>   Q  -1.3290  16.51$  9.07$  4.46$
|595>   Q  0.6645  16.27$  17.98$  15.31$
|596>   Q  0.6645  16.45$  19.31$  16.24$
|597>   Q  -1.3290  16.56$  18.78$  15.55$
|598>   Q  0.6645  18.58$  18.05$  8.36$
|599>   Q  0.6645  17.16$  17.78$  8.28$
|600>   Q  -1.3290  17.82$  18.02$  8.69$
|601>   Q  0.6645  10.63$  3.09$  10.55$
|602>   Q  0.6645  10.23$  4.58$  10.47$
|603>   Q  -1.3290  10.12$  3.77$  10.51$
|604>   Q  0.6645  16.25$  14.11$  6.53$
|605>   Q  0.6645  16.71$  13.76$  4.98$
|606>   Q  -1.3290  16.51$  14.24$  5.7$
|607>   Q  0.6645  10.94$  9.98$  17.09$
|608>   Q  0.6645  10.96$  11.33$  16.57$
|609>   Q  -1.3290  10.65$  10.72$  17.02$
|610>   Q  0.6645  12.77$  4.24$  2.27$
|611>   Q  0.6645  12.12$  4.13$  3.63$
|612>   Q  -1.3290  12.73$  4.39$  3.09$
|613>   Q  0.6645  12.06$  2.86$  12.39$
|614>   Q  0.6645  11.49$  1.41$  12.1$
|615>   Q  -1.3290  11.9$  2.15$  11.94$
|616>   Q  0.6645  12.15$  17.23$  18.35$
|617>   Q  0.6645  11.47$  17.67$  17.07$
|618>   Q  -1.3290  12.14$  17.52$  17.56$
|619>   Q  0.6645  14.89$  11.18$  15.52$
|620>   Q  0.6645  15.85$  10.54$  16.37$
|621>   Q  -1.3290  15.21$  10.51$  15.87$
|622>   Q  0.6645  16.5$  14.51$  16.38$
|623>   Q  0.6645  15.38$  14.2$  17.57$
|624>   Q  -1.3290  15.71$  14.34$  16.74$
|625>   Q  0.6645  8.68$  11.58$  1.94$
|626>   Q  0.6645  8.89$  10.38$  2.88$
|627>   Q  -1.3290  8.63$  11.16$  2.68$
|628>   Q  0.6645  3.12$  11.09$  9.59$
|629>   Q  0.6645  1.91$  11.97$  9.13$
|630>   Q  -1.3290  2.46$  11.6$  9.69$
|631>   Q  0.6645  6.1$  7.79$  20.98$
|632>   Q  0.6645  6.12$  6.67$  22$
|633>   Q  -1.3290  6.37$  7.05$  21.28$
|634>   Q  0.6645  12.51$  2.59$  7.31$
|635>   Q  0.6645  13.05$  3.86$  6.76$
|636>   Q  -1.3290  12.49$  3.39$  7.18$
|637>   Q  0.6645  5.31$  10.19$  9.19$
|638>   Q  0.6645  4.66$  9.41$  8$
|639>   Q  -1.3290  4.7$  9.97$  8.63$
|640>   Q  0.6645  12$  3.75$  15.12$
|641>   Q  0.6645  11.1$  2.76$  15.35$
|642>   Q  -1.3290  11.29$  3.46$  15.05$
|643> *
|644> 
|645>                          ****END OF INPUT****
================================================================================

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

---------------------------------
CARTESIAN COORDINATES (ANGSTROEM)
---------------------------------
  C      9.680000   10.190000   12.080000
  H      8.900000    9.510000   11.690000
  H      9.290000   11.170000   11.950000
  C     11.000000   10.120000   11.320000
  H     11.690000   10.770000   11.880000
  H     11.330000    9.090000   11.480000
  C     10.860000   10.420000    9.840000
  H     10.170000   11.260000    9.840000
  H     10.390000    9.630000    9.240000
  C     12.170000   10.830000    9.140000
  H     11.960000   10.960000    8.100000
  H     12.960000   10.120000    9.230000
  O     12.610000   12.070000    9.820000
  H     12.020000   12.770000    9.540000
  O      9.960000   10.100000   13.510000
  H      9.660000    9.240000   13.760000
  O      9.420000   11.510000    6.830000
  H      9.410000   12.110000    6.080000
  H      8.680000   11.840000    7.330000
  O      8.240000   14.090000   12.010000
  H      8.460000   14.860000   12.560000
  H      8.270000   13.390000   12.670000
  O      7.250000    9.340000   15.640000
  H      7.130000    8.950000   14.780000
  H      8.200000    9.150000   15.860000
  O      8.600000   12.560000   14.410000
  H      8.750000   11.580000   14.270000
  H      9.480000   12.900000   14.380000
  O     15.310000   12.210000   10.660000
  H     15.650000   11.330000   10.830000
  H     14.360000   12.120000   10.360000
  O     11.860000   14.800000    8.640000
  H     11.880000   14.430000    7.690000
  H     11.030000   14.380000    8.970000
  O     14.590000   14.540000   12.480000
  H     15.170000   13.830000   12.100000
  H     15.190000   15.200000   12.920000
  O      6.080000   11.860000   13.070000
  H      5.730000   12.750000   12.870000
  H      6.440000   11.720000   13.950000
  O      6.930000   12.520000    8.560000
  H      6.580000   12.740000    7.700000
  H      6.390000   13.010000    9.250000
  O      7.130000   13.480000    5.690000
  H      6.580000   14.260000    6.040000
  H      7.940000   13.850000    5.570000
  O     11.540000   11.910000   14.790000
  H     11.090000   11.260000   14.230000
  H     12.400000   12.050000   14.400000
  O     10.110000   15.040000   14.510000
  H      9.790000   15.470000   15.300000
  H     11.070000   15.110000   14.500000
  O      7.030000    8.650000   12.760000
  H      6.800000    8.900000   11.810000
  H      6.560000    7.850000   13.070000
  O      6.800000   12.890000   16.380000
  H      6.690000   12.150000   16.940000
  H      7.580000   12.710000   15.830000
  O      5.830000   10.700000   17.810000
  H      4.970000   10.410000   17.460000
  H      6.410000    9.990000   17.490000
  O     14.240000   11.420000    5.690000
  H     13.590000   12.050000    5.910000
  H     13.770000   10.580000    5.590000
  O     10.220000    9.160000    5.710000
  H      9.880000    9.970000    6.210000
  H     10.780000    8.710000    6.310000
  O      9.410000   13.630000    9.630000
  H      8.690000   13.300000    9.170000
  H      9.200000   13.620000   10.570000
  O      6.570000   10.330000   10.550000
  H      6.970000   11.020000    9.990000
  H      6.520000   10.810000   11.420000
  O     15.960000   12.110000    7.980000
  H     15.250000   11.870000    7.380000
  H     15.710000   12.020000    8.940000
  O      9.250000   17.460000   13.280000
  H      9.650000   16.650000   13.580000
  H      8.550000   17.770000   13.880000
  O      9.900000    7.480000   13.550000
  H      9.590000    6.580000   13.580000
  H     10.830000    7.480000   13.830000
  O      8.770000    7.730000    8.460000
  H      9.120000    7.550000    9.350000
  H      9.620000    7.670000    8.000000
  O     16.380000    9.400000   11.040000
  H     16.070000    8.900000   10.200000
  H     17.350000    9.190000   11.080000
  O      5.460000    7.110000   14.600000
  H      5.810000    7.280000   15.480000
  H      5.020000    6.270000   14.670000
  O      5.870000   13.950000   10.600000
  H      6.630000   14.120000   11.190000
  H      5.040000   13.890000   11.140000
  O     10.110000   13.310000    4.590000
  H      9.830000   12.680000    3.910000
  H      9.890000   14.190000    4.270000
  O      9.010000    6.820000   11.090000
  H      8.060000    6.890000   11.150000
  H      9.300000    7.110000   11.960000
  O      8.520000    8.300000   17.940000
  H      9.440000    7.980000   17.870000
  H      8.450000    8.610000   18.830000
  Q     19.010000   10.490000    3.960000
  Q     18.810000   11.780000    4.820000
  Q     18.550000   11.060000    4.430000
  Q     13.230000   16.240000   14.640000
  Q     13.250000   15.160000   13.530000
  Q     12.910000   15.760000   14.010000
  Q     18.600000   13.940000    5.690000
  Q     19.290000   14.120000    4.290000
  Q     19.160000   13.790000    5.080000
  Q      7.230000    5.140000   12.760000
  Q      7.180000    4.970000   11.230000
  Q      6.870000    5.200000   11.970000
  Q      8.740000   15.710000    6.210000
  Q      8.340000   16.300000    4.810000
  Q      8.820000   15.830000    5.360000
  Q      2.700000   15.130000    6.270000
  Q      3.310000   13.630000    5.900000
  Q      3.030000   14.460000    5.780000
  Q      5.250000   17.610000   12.680000
  Q      4.180000   17.290000   13.730000
  Q      4.920000   17.220000   13.340000
  Q     13.280000    2.360000   10.580000
  Q     14.770000    2.210000   10.470000
  Q     14.000000    2.420000   10.210000
  Q     18.160000    5.650000   15.500000
  Q     19.300000    6.690000   15.930000
  Q     18.920000    6.040000   15.460000
  Q      8.910000   10.250000   20.410000
  Q      8.560000    9.060000   21.390000
  Q      8.690000    9.480000   20.640000
  Q     18.010000   17.680000    4.560000
  Q     17.340000   17.840000    5.930000
  Q     18.020000   17.740000    5.410000
  Q      5.330000   11.670000    3.300000
  Q      6.600000   11.050000    3.630000
  Q      5.780000   11.010000    3.510000
  Q      4.280000   11.190000   13.980000
  Q      3.520000    9.820000   13.780000
  Q      3.610000   10.630000   14.020000
  Q     19.040000   16.390000    6.670000
  Q     18.240000   15.870000    7.920000
  Q     18.930000   16.060000    7.470000
  Q     12.390000    8.720000    4.580000
  Q     13.490000    8.270000    5.660000
  Q     13.080000    8.790000    5.070000
  Q     12.360000   12.240000    2.280000
  Q     12.610000   12.390000    0.760000
  Q     12.650000   12.610000    1.580000
  Q      9.960000   11.980000   -0.310000
  Q      8.530000   12.530000   -0.080000
  Q      9.250000   12.090000    0.120000
  Q      9.390000   17.880000    8.170000
  Q     10.250000   19.160000    8.580000
  Q      9.670000   18.720000    8.120000
  Q     20.330000   10.570000    6.860000
  Q     18.850000   10.040000    6.950000
  Q     19.600000   10.320000    7.270000
  Q     19.260000    6.900000    8.700000
  Q     19.420000    8.150000    7.820000
  Q     19.210000    7.310000    7.990000
  Q     10.660000    8.200000    2.930000
  Q      9.770000    8.840000    4.050000
  Q     10.000000    8.670000    3.260000
  Q      6.400000    8.290000    3.010000
  Q      6.200000    6.830000    3.570000
  Q      6.520000    7.640000    3.560000
  Q     17.670000   16.380000   10.090000
  Q     18.270000   15.160000   10.690000
  Q     17.930000   15.930000   10.720000
  Q      1.330000    9.150000   15.130000
  Q      1.720000    8.060000   14.220000
  Q      1.550000    8.400000   14.970000
  Q     17.590000   12.810000    8.040000
  Q     18.670000   11.920000    7.780000
  Q     18.400000   12.620000    8.090000
  Q     13.690000   14.250000   19.330000
  Q     12.810000   13.460000   18.310000
  Q     13.480000   13.600000   18.830000
  Q     12.740000   10.870000   20.770000
  Q     12.810000   12.420000   20.260000
  Q     12.570000   11.740000   20.740000
  Q      2.540000    7.710000    9.910000
  Q      3.910000    8.210000    9.860000
  Q      3.260000    7.920000   10.270000
  Q      5.550000    0.790000   10.630000
  Q      6.320000    2.150000   10.700000
  Q      5.880000    1.470000   11.010000
  Q      5.130000   11.590000    5.920000
  Q      4.320000   11.330000    7.150000
  Q      4.440000   11.680000    6.390000
  Q      9.780000    2.300000   19.400000
  Q     10.540000    2.630000   20.660000
  Q     10.350000    2.210000   19.990000
  Q      8.920000   15.520000    8.660000
  Q      7.810000   16.570000    8.210000
  Q      8.540000   16.140000    8.180000
  Q     16.080000   14.050000    8.880000
  Q     15.590000   15.530000    8.930000
  Q     16.110000   14.910000    8.700000
  Q     13.730000   20.370000    3.320000
  Q     13.050000   19.300000    4.280000
  Q     13.650000   19.610000    3.760000
  Q     14.430000   13.640000    1.610000
  Q     15.140000   14.920000    2.140000
  Q     14.910000   14.330000    1.570000
  Q      3.510000   13.960000   12.780000
  Q      4.410000   15.140000   13.350000
  Q      4.230000   14.370000   13.060000
  Q     11.300000   13.480000   16.290000
  Q     10.330000   13.330000   17.460000
  Q     11.080000   13.490000   17.090000
  Q     19.700000    9.400000   11.400000
  Q     18.910000    8.260000   11.870000
  Q     19.070000    9.100000   11.860000
  Q     16.550000    4.910000   10.790000
  Q     16.410000    4.480000   12.190000
  Q     16.860000    4.610000   11.500000
  Q      9.370000    0.390000   16.850000
  Q      8.570000    1.800000   16.670000
  Q      8.830000    0.990000   16.480000
  Q     14.240000   13.190000   13.760000
  Q     14.340000   13.490000   15.280000
  Q     14.210000   13.000000   14.590000
  Q      7.440000   18.240000   11.170000
  Q      7.490000   19.070000   12.460000
  Q      7.090000   18.630000   11.820000
  Q     10.670000    7.150000   21.310000
  Q     11.920000    6.440000   21.120000
  Q     11.330000    6.910000   20.850000
  Q     20.310000    6.100000   10.960000
  Q     20.960000    5.060000   10.040000
  Q     20.770000    5.840000   10.320000
  Q      6.100000    8.610000    5.610000
  Q      6.150000    8.050000    7.060000
  Q      5.780000    8.430000    6.380000
  Q     18.110000    5.840000    5.080000
  Q     17.980000    6.780000    6.330000
  Q     18.070000    6.600000    5.500000
  Q     17.060000    2.690000    7.500000
  Q     16.960000    2.560000    9.150000
  Q     17.260000    2.870000    8.380000
  Q     14.240000    7.000000    7.400000
  Q     14.250000    6.150000    6.130000
  Q     14.050000    6.810000    6.620000
  Q      3.280000   10.560000   15.940000
  Q      2.930000   11.170000   17.260000
  Q      3.190000   10.540000   16.790000
  Q      0.500000    9.430000   12.060000
  Q     -0.180000    8.940000   13.400000
  Q      0.250000    8.870000   12.650000
  Q      6.360000   18.230000   14.310000
  Q      6.930000   19.500000   14.890000
  Q      6.950000   18.670000   14.680000
  Q     14.600000   19.080000   14.370000
  Q     13.170000   19.190000   13.630000
  Q     13.980000   19.430000   13.870000
  Q     16.360000    9.630000    6.560000
  Q     16.480000   10.310000    7.870000
  Q     16.690000    9.710000    7.330000
  Q     14.350000    4.100000    4.870000
  Q     15.430000    3.980000    5.910000
  Q     14.690000    4.310000    5.590000
  Q     18.360000   11.540000   17.110000
  Q     17.040000   11.380000   17.830000
  Q     17.570000   11.250000   17.180000
  Q     15.130000    8.670000    1.690000
  Q     15.020000    8.890000    3.280000
  Q     14.750000    8.660000    2.460000
  Q     11.840000   17.820000    6.230000
  Q     10.870000   18.930000    6.290000
  Q     11.500000   18.520000    5.960000
  Q      4.080000   13.780000   20.540000
  Q      5.340000   14.050000   19.650000
  Q      4.940000   13.900000   20.390000
  Q     13.330000   15.880000    9.620000
  Q     13.930000   15.550000   10.920000
  Q     13.920000   15.900000   10.200000
  Q     15.550000   11.710000    4.250000
  Q     17.050000   11.700000    3.940000
  Q     16.220000   12.020000    3.880000
  Q     -0.030000    7.070000    9.080000
  Q      0.960000    7.540000    8.000000
  Q      0.640000    7.520000    8.770000
  Q     15.320000   17.440000    6.270000
  Q     15.480000   18.760000    7.020000
  Q     15.630000   17.950000    6.840000
  Q     17.840000    9.270000   17.650000
  Q     17.490000    7.990000   18.250000
  Q     17.430000    8.550000   17.670000
  Q     16.580000   13.280000    0.660000
  Q     17.020000   12.680000    1.930000
  Q     17.140000   12.940000    1.130000
  Q     13.630000    8.880000   17.410000
  Q     13.130000   10.200000   17.010000
  Q     13.050000    9.450000   17.360000
  Q     17.780000   12.390000   13.670000
  Q     18.070000   13.200000   12.430000
  Q     17.910000   13.120000   13.240000
  Q      8.610000   16.410000   17.340000
  Q      7.780000   16.910000   16.200000
  Q      8.460000   16.640000   16.550000
  Q     15.460000   12.740000   19.170000
  Q     16.860000   13.070000   19.650000
  Q     16.260000   12.600000   19.260000
  Q      3.360000    8.410000   17.290000
  Q      3.360000    6.930000   16.910000
  Q      3.510000    7.600000   17.430000
  Q     11.350000   10.090000    3.330000
  Q     12.890000   10.090000    2.900000
  Q     12.080000   10.400000    3.000000
  Q     20.250000   10.120000    9.100000
  Q     21.470000    9.200000    9.580000
  Q     20.810000    9.760000    9.680000
  Q     19.860000   14.730000   14.040000
  Q     21.000000   15.570000   14.600000
  Q     20.660000   14.920000   14.170000
  Q      7.290000    3.350000   13.980000
  Q      6.220000    2.570000   13.120000
  Q      6.530000    2.980000   13.800000
  Q      7.940000   13.720000   17.580000
  Q      8.830000   13.180000   18.870000
  Q      8.550000   13.700000   18.210000
  Q     19.620000    7.650000    4.910000
  Q     21.180000    7.750000    4.710000
  Q     20.360000    7.950000    4.590000
  Q     15.270000    8.600000   12.830000
  Q     15.240000    8.750000   14.350000
  Q     15.070000    8.360000   13.610000
  Q      8.360000   19.430000    6.350000
  Q      8.090000   20.160000    4.970000
  Q      7.920000   19.670000    5.640000
  Q     11.240000    7.070000   18.790000
  Q     11.650000    8.080000   17.710000
  Q     11.360000    7.330000   18.010000
  Q     10.870000   11.570000   19.840000
  Q     10.010000   11.250000   18.620000
  Q     10.180000   11.540000   19.420000
  Q     19.790000   13.180000   11.110000
  Q     18.940000   13.070000    9.900000
  Q     19.060000   13.220000   10.720000
  Q      4.070000   14.970000   17.260000
  Q      3.560000   14.680000   15.840000
  Q      3.540000   15.030000   16.600000
  Q      5.700000    3.710000   17.670000
  Q      6.590000    3.290000   16.520000
  Q      6.090000    3.140000   17.210000
  Q      5.960000    2.360000    6.820000
  Q      6.800000    3.550000    6.450000
  Q      6.420000    3.020000    6.970000
  Q     16.960000   16.170000   13.970000
  Q     16.810000   16.380000   12.420000
  Q     16.690000   16.580000   13.270000
  Q     12.330000    6.320000    3.400000
  Q     13.010000    7.640000    2.730000
  Q     12.350000    7.090000    2.990000
  Q     16.690000    2.270000   13.450000
  Q     17.460000    1.000000   13.580000
  Q     17.390000    1.820000   13.560000
  Q      5.810000   15.820000   17.850000
  Q      5.940000   14.450000   17.270000
  Q      5.770000   14.970000   17.870000
  Q     18.550000   15.580000   15.900000
  Q     18.180000   14.360000   14.940000
  Q     18.100000   15.100000   15.330000
  Q     12.130000    4.480000    9.070000
  Q     11.900000    6.030000    9.210000
  Q     12.140000    5.260000    9.440000
  Q      7.080000    7.150000    8.660000
  Q      5.680000    6.400000    8.650000
  Q      6.240000    7.050000    8.760000
  Q     18.530000    5.690000   12.330000
  Q     19.270000    6.460000   13.430000
  Q     19.040000    6.280000   12.640000
  Q      6.260000    6.170000   17.870000
  Q      7.390000    6.970000   17.400000
  Q      6.780000    6.430000   17.290000
  Q      2.600000    5.260000   15.270000
  Q      1.750000    6.480000   15.680000
  Q      2.230000    5.800000   15.790000
  Q     11.790000   19.020000   12.080000
  Q     10.510000   18.540000   12.940000
  Q     11.180000   19.070000   12.720000
  Q      9.250000    4.360000   16.100000
  Q      7.890000    4.950000   16.500000
  Q      8.450000    4.340000   16.360000
  Q     11.590000   13.700000    5.530000
  Q     12.750000   14.620000    5.660000
  Q     12.270000   14.000000    5.930000
  Q      5.670000    4.450000    4.940000
  Q      6.710000    4.150000    3.750000
  Q      6.390000    4.500000    4.500000
  Q      5.490000   17.870000    9.070000
  Q      6.280000   16.900000    9.920000
  Q      6.050000   17.270000    9.200000
  Q      4.720000   15.550000    6.010000
  Q      5.470000   16.030000    7.260000
  Q      5.400000   15.610000    6.540000
  Q     15.150000    2.800000   17.400000
  Q     14.210000    3.060000   18.490000
  Q     14.720000    3.300000   17.890000
  Q      5.330000    5.980000   19.910000
  Q      4.400000    6.300000   18.780000
  Q      4.900000    5.800000   19.220000
  Q      9.700000    4.260000   13.830000
  Q      9.100000    4.070000   12.530000
  Q      9.170000    4.430000   13.240000
  Q     15.690000    5.870000   16.260000
  Q     16.030000    6.710000   14.980000
  Q     16.010000    6.020000   15.490000
  Q      3.200000    8.200000    2.690000
  Q      4.290000    8.370000    3.850000
  Q      3.690000    8.000000    3.380000
  Q     17.760000   18.520000   13.290000
  Q     18.990000   18.550000   12.400000
  Q     18.440000   18.880000   12.910000
  Q     10.500000    6.510000    6.340000
  Q     11.990000    6.570000    6.880000
  Q     11.130000    6.730000    6.890000
  Q      5.580000    9.760000   19.730000
  Q      4.270000    9.110000   20.510000
  Q      5.070000    9.440000   20.400000
  Q     15.270000    4.310000   14.250000
  Q     14.400000    3.790000   13.170000
  Q     15.090000    3.790000   13.640000
  Q     13.060000   17.760000   10.700000
  Q     13.810000   18.980000   11.040000
  Q     13.130000   18.550000   10.890000
  Q      4.600000    4.190000    7.690000
  Q      4.060000    4.910000    8.960000
  Q      4.440000    4.880000    8.220000
  Q     11.380000   14.290000    1.700000
  Q     10.410000   14.640000    0.590000
  Q     10.770000   14.730000    1.340000
  Q     15.970000    8.880000   21.160000
  Q     14.350000    8.880000   21.130000
  Q     15.170000    8.630000   21.410000
  Q      5.010000    5.370000   11.410000
  Q      3.530000    5.890000   11.310000
  Q      4.160000    5.330000   11.320000
  Q     16.590000   19.480000    9.660000
  Q     15.840000   20.440000   10.730000
  Q     16.090000   20.150000    9.970000
  Q     15.380000   21.080000    6.640000
  Q     15.110000   20.750000    8.250000
  Q     14.970000   20.850000    7.370000
  Q     12.740000    5.420000   12.920000
  Q     13.000000    5.030000   11.480000
  Q     12.920000    4.900000   12.300000
  Q     19.230000   17.410000   10.750000
  Q     20.510000   18.070000   10.190000
  Q     20.040000   17.680000   10.800000
  Q     16.790000    2.400000   11.270000
  Q     16.920000    0.960000   11.040000
  Q     16.610000    1.690000   10.870000
  Q     18.060000   10.510000   15.270000
  Q     18.560000   10.050000   13.800000
  Q     18.450000   10.570000   14.510000
  Q      9.440000    5.800000    1.420000
  Q      9.690000    5.500000    2.880000
  Q      9.710000    5.330000    2.050000
  Q      4.060000    7.600000   13.500000
  Q      3.400000    8.090000   12.290000
  Q      3.490000    8.030000   13.090000
  Q     13.510000    5.030000   16.840000
  Q     12.310000    5.970000   16.890000
  Q     12.870000    5.450000   16.520000
  Q      6.860000    3.250000    8.880000
  Q      8.120000    3.660000    9.850000
  Q      7.320000    3.410000    9.620000
  Q     14.970000   15.320000    5.460000
  Q     14.450000   16.280000    4.420000
  Q     14.450000   15.900000    5.170000
  Q     12.920000    9.440000   19.450000
  Q     12.210000    8.650000   20.560000
  Q     12.730000    9.210000   20.230000
  Q     14.770000   16.200000   16.160000
  Q     13.690000   17.250000   16.500000
  Q     14.390000   16.970000   16.130000
  Q      9.710000   17.940000   15.890000
  Q     10.610000   18.940000   15.180000
  Q     10.270000   18.580000   15.840000
  Q     14.710000    4.500000    9.400000
  Q     16.110000    4.640000    8.710000
  Q     15.400000    4.910000    9.140000
  Q     11.070000    3.000000    5.360000
  Q     10.490000    2.280000    4.190000
  Q     10.770000    2.940000    4.600000
  Q      3.650000    6.230000    7.240000
  Q      3.740000    7.500000    6.510000
  Q      3.330000    6.880000    6.860000
  Q     11.990000   16.550000    1.300000
  Q     13.540000   17.030000    1.550000
  Q     12.720000   17.030000    1.190000
  Q     11.870000   21.370000    9.380000
  Q     11.750000   20.210000   10.230000
  Q     11.440000   20.780000    9.720000
  Q     21.030000    8.840000   15.560000
  Q     20.040000    9.780000   14.740000
  Q     20.820000    9.440000   15.000000
  Q      9.220000    1.060000    7.020000
  Q     10.620000    0.360000    7.370000
  Q      9.990000    0.690000    6.880000
  Q      5.980000    9.350000    0.510000
  Q      6.280000   10.000000    1.850000
  Q      6.290000    9.370000    1.300000
  Q     11.490000    0.490000   16.350000
  Q     11.020000    0.910000   14.940000
  Q     11.490000    0.970000   15.680000
  Q     21.270000   11.450000   10.890000
  Q     22.360000   12.430000   11.560000
  Q     21.580000   12.160000   11.280000
  Q      4.920000    3.910000   14.060000
  Q      3.970000    4.470000   12.960000
  Q      4.240000    4.340000   13.750000
  Q     15.700000    7.630000   17.570000
  Q     14.990000    6.740000   18.530000
  Q     15.050000    7.260000   17.890000
  Q     12.570000    6.460000   14.890000
  Q     13.320000    7.530000   13.840000
  Q     12.660000    6.980000   14.160000
  Q      8.020000   18.220000    4.400000
  Q      8.330000   17.670000    2.930000
  Q      7.900000   17.790000    3.660000
  Q      8.760000   15.720000   21.250000
  Q      9.220000   15.230000   19.910000
  Q      9.330000   15.470000   20.680000
  Q     15.430000    7.020000    9.220000
  Q     16.020000    8.060000    8.260000
  Q     15.540000    7.790000    8.920000
  Q      8.700000    7.730000    1.220000
  Q      8.080000    7.210000   -0.020000
  Q      8.740000    7.390000    0.470000
  Q     15.990000    6.760000    0.590000
  Q     15.890000    6.310000    2.230000
  Q     16.220000    6.410000    1.410000
  Q     13.540000    0.110000    7.650000
  Q     13.360000    1.270000    8.540000
  Q     13.070000    0.640000    8.100000
  Q      9.160000   20.790000   10.080000
  Q      8.450000   21.270000   11.360000
  Q      8.530000   21.100000   10.540000
  Q     14.640000   17.970000    3.030000
  Q     15.840000   17.080000    2.650000
  Q     15.030000   17.230000    2.790000
  Q     20.590000   15.620000    8.330000
  Q     21.580000   15.180000    9.490000
  Q     21.310000   15.340000    8.680000
  Q      1.690000   10.740000    4.770000
  Q      3.180000   10.780000    4.430000
  Q      2.340000   10.890000    4.290000
  Q      3.520000    3.520000   10.360000
  Q      3.230000    2.050000   10.250000
  Q      3.110000    2.850000   10.060000
  Q      8.570000    5.440000    4.910000
  Q      8.580000    6.830000    4.330000
  Q      8.930000    6.120000    4.640000
  Q      2.590000   12.200000   11.650000
  Q      2.590000   11.840000   13.090000
  Q      2.430000   12.360000   12.460000
  Q      0.640000    5.840000   11.540000
  Q      1.590000    6.690000   12.300000
  Q      1.310000    5.960000   12.000000
  Q     16.800000    9.870000    4.200000
  Q     16.870000    8.290000    4.650000
  Q     16.510000    9.070000    4.460000
  Q     16.270000   17.980000   15.310000
  Q     16.450000   19.310000   16.240000
  Q     16.560000   18.780000   15.550000
  Q     18.580000   18.050000    8.360000
  Q     17.160000   17.780000    8.280000
  Q     17.820000   18.020000    8.690000
  Q     10.630000    3.090000   10.550000
  Q     10.230000    4.580000   10.470000
  Q     10.120000    3.770000   10.510000
  Q     16.250000   14.110000    6.530000
  Q     16.710000   13.760000    4.980000
  Q     16.510000   14.240000    5.700000
  Q     10.940000    9.980000   17.090000
  Q     10.960000   11.330000   16.570000
  Q     10.650000   10.720000   17.020000
  Q     12.770000    4.240000    2.270000
  Q     12.120000    4.130000    3.630000
  Q     12.730000    4.390000    3.090000
  Q     12.060000    2.860000   12.390000
  Q     11.490000    1.410000   12.100000
  Q     11.900000    2.150000   11.940000
  Q     12.150000   17.230000   18.350000
  Q     11.470000   17.670000   17.070000
  Q     12.140000   17.520000   17.560000
  Q     14.890000   11.180000   15.520000
  Q     15.850000   10.540000   16.370000
  Q     15.210000   10.510000   15.870000
  Q     16.500000   14.510000   16.380000
  Q     15.380000   14.200000   17.570000
  Q     15.710000   14.340000   16.740000
  Q      8.680000   11.580000    1.940000
  Q      8.890000   10.380000    2.880000
  Q      8.630000   11.160000    2.680000
  Q      3.120000   11.090000    9.590000
  Q      1.910000   11.970000    9.130000
  Q      2.460000   11.600000    9.690000
  Q      6.100000    7.790000   20.980000
  Q      6.120000    6.670000   22.000000
  Q      6.370000    7.050000   21.280000
  Q     12.510000    2.590000    7.310000
  Q     13.050000    3.860000    6.760000
  Q     12.490000    3.390000    7.180000
  Q      5.310000   10.190000    9.190000
  Q      4.660000    9.410000    8.000000
  Q      4.700000    9.970000    8.630000
  Q     12.000000    3.750000   15.120000
  Q     11.100000    2.760000   15.350000
  Q     11.290000    3.460000   15.050000

----------------------------
CARTESIAN COORDINATES (A.U.)
----------------------------
  NO LB      ZA    FRAG     MASS         X           Y           Z
   0 C     6.0000    0    12.011   18.292549   19.256309   22.827892
   1 H     1.0000    0     1.008   16.818563   17.971296   22.090899
   2 H     1.0000    0     1.008   17.555556   21.108241   22.582227
   3 C     6.0000    0    12.011   20.786987   19.124028   21.391700
   4 H     1.0000    0     1.008   22.090899   20.352350   22.449946
   5 H     1.0000    0     1.008   21.410597   17.177611   21.694056
   6 C     6.0000    0    12.011   20.522426   19.690946   18.594905
   7 H     1.0000    0     1.008   19.218515   21.278316   18.594905
   8 H     1.0000    0     1.008   19.634255   18.198063   17.461069
   9 C     6.0000    0    12.011   22.997967   20.465734   17.272097
  10 H     1.0000    0     1.008   22.601125   20.711398   15.306782
  11 H     1.0000    0     1.008   24.490851   19.124028   17.442172
  12 O     8.0000    0    15.999   23.829447   22.808994   18.557111
  13 H     1.0000    0     1.008   22.714508   24.131803   18.027987
  14 O     8.0000    0    15.999   18.821672   19.086234   25.530200
  15 H     1.0000    0     1.008   18.254754   17.461069   26.002632
  16 O     8.0000    0    15.999   17.801220   21.750748   12.906829
  17 H     1.0000    0     1.008   17.782323   22.884583   11.489535
  18 H     1.0000    0     1.008   16.402823   22.374357   13.851693
  19 O     8.0000    0    15.999   15.571343   26.626241   22.695611
  20 H     1.0000    0     1.008   15.987083   28.081330   23.734960
  21 H     1.0000    0     1.008   15.628035   25.303433   23.942830
  22 O     8.0000    0    15.999   13.700514   17.650042   29.555317
  23 H     1.0000    0     1.008   13.473747   16.913049   27.930152
  24 H     1.0000    0     1.008   15.495754   17.290994   29.971056
  25 O     8.0000    0    15.999   16.251645   23.734960   27.230954
  26 H     1.0000    0     1.008   16.535104   21.883029   26.966392
  27 H     1.0000    0     1.008   17.914604   24.377467   27.174262
  28 O     8.0000    0    15.999   28.931707   23.073556   20.144481
  29 H     1.0000    0     1.008   29.574214   21.410597   20.465734
  30 H     1.0000    0     1.008   27.136467   22.903481   19.577563
  31 O     8.0000    0    15.999   22.412152   27.967947   16.327234
  32 H     1.0000    0     1.008   22.449946   27.268748   14.531994
  33 H     1.0000    0     1.008   20.843679   27.174262   16.950843
  34 O     8.0000    0    15.999   27.571104   27.476618   23.583782
  35 H     1.0000    0     1.008   28.667145   26.134912   22.865686
  36 H     1.0000    0     1.008   28.704940   28.723837   24.415262
  37 O     8.0000    0    15.999   11.489535   22.412152   24.698721
  38 H     1.0000    0     1.008   10.828131   24.094008   24.320775
  39 H     1.0000    0     1.008   12.169836   22.147590   26.361680
  40 O     8.0000    0    15.999   13.095802   23.659371   16.176056
  41 H     1.0000    0     1.008   12.434398   24.075111   14.550891
  42 H     1.0000    0     1.008   12.075350   24.585337   17.479967
  43 O     8.0000    0    15.999   13.473747   25.473508   10.752542
  44 H     1.0000    0     1.008   12.434398   26.947495   11.413946
  45 H     1.0000    0     1.008   15.004426   26.172707   10.525775
  46 O     8.0000    0    15.999   21.807440   22.506638   27.949050
  47 H     1.0000    0     1.008   20.957063   21.278316   26.890803
  48 H     1.0000    0     1.008   23.432604   22.771200   27.212056
  49 O     8.0000    0    15.999   19.105131   28.421481   27.419926
  50 H     1.0000    0     1.008   18.500419   29.234063   28.912810
  51 H     1.0000    0     1.008   20.919268   28.553762   27.401029
  52 O     8.0000    0    15.999   13.284775   16.346131   24.112905
  53 H     1.0000    0     1.008   12.850138   16.818563   22.317666
  54 H     1.0000    0     1.008   12.396603   14.834350   24.698721
  55 O     8.0000    0    15.999   12.850138   24.358570   30.953714
  56 H     1.0000    0     1.008   12.642268   22.960173   32.011961
  57 H     1.0000    0     1.008   14.324124   24.018419   29.914365
  58 O     8.0000    0    15.999   11.017103   20.220070   33.656022
  59 H     1.0000    0     1.008    9.391939   19.672049   32.994618
  60 H     1.0000    0     1.008   12.113145   18.878364   33.051310
  61 O     8.0000    0    15.999   26.909700   21.580672   10.752542
  62 H     1.0000    0     1.008   25.681378   22.771200   11.168281
  63 H     1.0000    0     1.008   26.021529   19.993302   10.563569
  64 O     8.0000    0    15.999   19.313001   17.309891   10.790336
  65 H     1.0000    0     1.008   18.670494   18.840570   11.735199
  66 H     1.0000    0     1.008   20.371248   16.459515   11.924172
  67 O     8.0000    0    15.999   17.782323   25.756967   18.198063
  68 H     1.0000    0     1.008   16.421720   25.133358   17.328789
  69 H     1.0000    0     1.008   17.385480   25.738070   19.974405
  70 O     8.0000    0    15.999   12.415501   19.520871   19.936611
  71 H     1.0000    0     1.008   13.171391   20.824782   18.878364
  72 H     1.0000    0     1.008   12.321014   20.427940   21.580672
  73 O     8.0000    0    15.999   30.160029   22.884583   15.080015
  74 H     1.0000    0     1.008   28.818324   22.431049   13.946179
  75 H     1.0000    0     1.008   29.687598   22.714508   16.894152
  76 O     8.0000    0    15.999   17.479967   32.994618   25.095563
  77 H     1.0000    0     1.008   18.235857   31.463940   25.662481
  78 H     1.0000    0     1.008   16.157158   33.580433   26.229399
  79 O     8.0000    0    15.999   18.708289   14.135151   25.605789
  80 H     1.0000    0     1.008   18.122474   12.434398   25.662481
  81 H     1.0000    0     1.008   20.465734   14.135151   26.134912
  82 O     8.0000    0    15.999   16.572898   14.607583   15.987083
  83 H     1.0000    0     1.008   17.234302   14.267432   17.668939
  84 H     1.0000    0     1.008   18.179165   14.494199   15.117809
  85 O     8.0000    0    15.999   30.953714   17.763426   20.862577
  86 H     1.0000    0     1.008   30.367899   16.818563   19.275207
  87 H     1.0000    0     1.008   32.786748   17.366583   20.938166
  88 O     8.0000    0    15.999   10.317905   13.435953   27.590002
  89 H     1.0000    0     1.008   10.979309   13.757206   29.252961
  90 H     1.0000    0     1.008    9.486425   11.848583   27.722282
  91 O     8.0000    0    15.999   11.092692   26.361680   20.031097
  92 H     1.0000    0     1.008   12.528884   26.682933   21.146035
  93 H     1.0000    0     1.008    9.524220   26.248296   21.051549
  94 O     8.0000    0    15.999   19.105131   25.152255    8.673843
  95 H     1.0000    0     1.008   18.576008   23.961727    7.388829
  96 H     1.0000    0     1.008   18.689391   26.815214    8.069131
  97 O     8.0000    0    15.999   17.026432   12.887932   20.957063
  98 H     1.0000    0     1.008   15.231193   13.020213   21.070446
  99 H     1.0000    0     1.008   17.574453   13.435953   22.601125
 100 O     8.0000    0    15.999   16.100467   15.684727   33.901687
 101 H     1.0000    0     1.008   17.839015   15.080015   33.769406
 102 H     1.0000    0     1.008   15.968186   16.270542   35.583543
 103 Q     0.6645    0     0.000   35.923694   19.823227    7.483315
 104 Q     0.6645    0     0.000   35.545749   22.260974    9.108480
 105 Q    -1.3290    0     0.000   35.054420   20.900371    8.371487
 106 Q     0.6645    0     0.000   25.001077   30.689152   27.665591
 107 Q     0.6645    0     0.000   25.038871   28.648248   25.567995
 108 Q    -1.3290    0     0.000   24.396364   29.782084   26.475063
 109 Q     0.6645    0     0.000   35.148906   26.342782   10.752542
 110 Q     0.6645    0     0.000   36.452817   26.682933    8.106925
 111 Q    -1.3290    0     0.000   36.207153   26.059323    9.599809
 112 Q     0.6645    0     0.000   13.662720    9.713192   24.112905
 113 Q     0.6645    0     0.000   13.568234    9.391939   21.221624
 114 Q    -1.3290    0     0.000   12.982419    9.826576   22.620022
 115 Q     0.6645    0     0.000   16.516206   29.687598   11.735199
 116 Q     0.6645    0     0.000   15.760316   30.802536    9.089583
 117 Q    -1.3290    0     0.000   16.667385   29.914365   10.128932
 118 Q     0.6645    0     0.000    5.102261   28.591556   11.848583
 119 Q     0.6645    0     0.000    6.254994   25.756967   11.149384
 120 Q    -1.3290    0     0.000    5.725870   27.325440   10.922617
 121 Q     0.6645    0     0.000    9.921062   33.278077   23.961727
 122 Q     0.6645    0     0.000    7.899055   32.673365   25.945940
 123 Q    -1.3290    0     0.000    9.297453   32.541084   25.208947
 124 Q     0.6645    0     0.000   25.095563    4.459754   19.993302
 125 Q     0.6645    0     0.000   27.911255    4.176295   19.785433
 126 Q    -1.3290    0     0.000   26.456166    4.573137   19.294104
 127 Q     0.6645    0     0.000   34.317427   10.676953   29.290755
 128 Q     0.6645    0     0.000   36.471714   12.642268   30.103337
 129 Q    -1.3290    0     0.000   35.753618   11.413946   29.215166
 130 Q     0.6645    0     0.000   16.837460   19.369693   38.569310
 131 Q     0.6645    0     0.000   16.176056   17.120919   40.421242
 132 Q    -1.3290    0     0.000   16.421720   17.914604   39.003947
 133 Q     0.6645    0     0.000   34.033968   33.410358    8.617151
 134 Q     0.6645    0     0.000   32.767851   33.712714   11.206076
 135 Q    -1.3290    0     0.000   34.052865   33.523742   10.223418
 136 Q     0.6645    0     0.000   10.072240   22.053104    6.236096
 137 Q     0.6645    0     0.000   12.472192   20.881474    6.859706
 138 Q    -1.3290    0     0.000   10.922617   20.805885    6.632939
 139 Q     0.6645    0     0.000    8.088028   21.146035   26.418371
 140 Q     0.6645    0     0.000    6.651836   18.557111   26.040426
 141 Q    -1.3290    0     0.000    6.821911   20.087789   26.493960
 142 Q     0.6645    0     0.000   35.980386   30.972611   12.604473
 143 Q     0.6645    0     0.000   34.468605   29.989954   14.966631
 144 Q    -1.3290    0     0.000   35.772516   30.349002   14.116254
 145 Q     0.6645    0     0.000   23.413707   16.478412    8.654946
 146 Q     0.6645    0     0.000   25.492406   15.628035   10.695850
 147 Q    -1.3290    0     0.000   24.717618   16.610693    9.580911
 148 Q     0.6645    0     0.000   23.357015   23.130248    4.308576
 149 Q     0.6645    0     0.000   23.829447   23.413707    1.436192
 150 Q    -1.3290    0     0.000   23.905036   23.829447    2.985767
 151 Q     0.6645    0     0.000   18.821672   22.638919   -0.585815
 152 Q     0.6645    0     0.000   16.119364   23.678268   -0.151178
 153 Q    -1.3290    0     0.000   17.479967   22.846789    0.226767
 154 Q     0.6645    0     0.000   17.744528   33.788303   15.439063
 155 Q     0.6645    0     0.000   19.369693   36.207153   16.213850
 156 Q    -1.3290    0     0.000   18.273652   35.375673   15.344576
 157 Q     0.6645    0     0.000   38.418132   19.974405   12.963521
 158 Q     0.6645    0     0.000   35.621338   18.972850   13.133597
 159 Q    -1.3290    0     0.000   37.038632   19.501974   13.738309
 160 Q     0.6645    0     0.000   36.396125   13.039110   16.440617
 161 Q     0.6645    0     0.000   36.698482   15.401268   14.777658
 162 Q    -1.3290    0     0.000   36.301639   13.813898   15.098912
 163 Q     0.6645    0     0.000   20.144481   15.495754    5.536898
 164 Q     0.6645    0     0.000   18.462624   16.705179    7.653391
 165 Q    -1.3290    0     0.000   18.897261   16.383926    6.160507
 166 Q     0.6645    0     0.000   12.094247   15.665830    5.688076
 167 Q     0.6645    0     0.000   11.716302   12.906829    6.746322
 168 Q    -1.3290    0     0.000   12.321014   14.437508    6.727425
 169 Q     0.6645    0     0.000   33.391461   30.953714   19.067337
 170 Q     0.6645    0     0.000   34.525296   28.648248   20.201172
 171 Q    -1.3290    0     0.000   33.882790   30.103337   20.257864
 172 Q     0.6645    0     0.000    2.513336   17.290994   28.591556
 173 Q     0.6645    0     0.000    3.250329   15.231193   26.871906
 174 Q    -1.3290    0     0.000    2.929076   15.873700   28.289200
 175 Q     0.6645    0     0.000   33.240283   24.207392   15.193398
 176 Q     0.6645    0     0.000   35.281187   22.525536   14.702069
 177 Q    -1.3290    0     0.000   34.770961   23.848344   15.287884
 178 Q     0.6645    0     0.000   25.870351   26.928597   36.528406
 179 Q     0.6645    0     0.000   24.207392   25.435714   34.600886
 180 Q    -1.3290    0     0.000   25.473508   25.700275   35.583543
 181 Q     0.6645    0     0.000   24.075111   20.541323   39.249612
 182 Q     0.6645    0     0.000   24.207392   23.470399   38.285851
 183 Q    -1.3290    0     0.000   23.753858   22.185385   39.192920
 184 Q     0.6645    0     0.000    4.799904   14.569788   18.727186
 185 Q     0.6645    0     0.000    7.388829   15.514652   18.632700
 186 Q    -1.3290    0     0.000    6.160507   14.966631   19.407487
 187 Q     0.6645    0     0.000   10.487980    1.492884   20.087789
 188 Q     0.6645    0     0.000   11.943069    4.062911   20.220070
 189 Q    -1.3290    0     0.000   11.111590    2.777897   20.805885
 190 Q     0.6645    0     0.000    9.694295   21.901926   11.187179
 191 Q     0.6645    0     0.000    8.163617   21.410597   13.511542
 192 Q    -1.3290    0     0.000    8.390384   22.072001   12.075350
 193 Q     0.6645    0     0.000   18.481522    4.346370   36.660687
 194 Q     0.6645    0     0.000   19.917713    4.969980   39.041742
 195 Q    -1.3290    0     0.000   19.558665    4.176295   37.775625
 196 Q     0.6645    0     0.000   16.856357   29.328550   16.365028
 197 Q     0.6645    0     0.000   14.758761   31.312762   15.514652
 198 Q    -1.3290    0     0.000   16.138261   30.500180   15.457960
 199 Q     0.6645    0     0.000   30.386796   26.550652   16.780768
 200 Q     0.6645    0     0.000   29.460830   29.347447   16.875254
 201 Q    -1.3290    0     0.000   30.443488   28.175817   16.440617
 202 Q     0.6645    0     0.000   25.945940   38.493721    6.273891
 203 Q     0.6645    0     0.000   24.660926   36.471714    8.088028
 204 Q    -1.3290    0     0.000   25.794762   37.057529    7.105370
 205 Q     0.6645    0     0.000   27.268748   25.775864    3.042459
 206 Q     0.6645    0     0.000   28.610454   28.194714    4.044014
 207 Q    -1.3290    0     0.000   28.175817   27.079775    2.966870
 208 Q     0.6645    0     0.000    6.632939   26.380577   24.150700
 209 Q     0.6645    0     0.000    8.333692   28.610454   25.227844
 210 Q    -1.3290    0     0.000    7.993542   27.155365   24.679823
 211 Q     0.6645    0     0.000   21.353905   25.473508   30.783639
 212 Q     0.6645    0     0.000   19.520871   25.190049   32.994618
 213 Q    -1.3290    0     0.000   20.938166   25.492406   32.295420
 214 Q     0.6645    0     0.000   37.227605   17.763426   21.542878
 215 Q     0.6645    0     0.000   35.734721   15.609138   22.431049
 216 Q    -1.3290    0     0.000   36.037077   17.196508   22.412152
 217 Q     0.6645    0     0.000   31.274968    9.278555   20.390145
 218 Q     0.6645    0     0.000   31.010406    8.465973   23.035762
 219 Q    -1.3290    0     0.000   31.860783    8.711637   21.731851
 220 Q     0.6645    0     0.000   17.706734    0.736993   31.841885
 221 Q     0.6645    0     0.000   16.194953    3.401507   31.501735
 222 Q    -1.3290    0     0.000   16.686282    1.870829   31.142687
 223 Q     0.6645    0     0.000   26.909700   24.925488   26.002632
 224 Q     0.6645    0     0.000   27.098673   25.492406   28.875015
 225 Q    -1.3290    0     0.000   26.853008   24.566440   27.571104
 226 Q     0.6645    0     0.000   14.059562   34.468605   21.108241
 227 Q     0.6645    0     0.000   14.154049   36.037077   23.545988
 228 Q    -1.3290    0     0.000   13.398158   35.205598   22.336563
 229 Q     0.6645    0     0.000   20.163378   13.511542   40.270064
 230 Q     0.6645    0     0.000   22.525536   12.169836   39.911016
 231 Q    -1.3290    0     0.000   21.410597   13.058008   39.400790
 232 Q     0.6645    0     0.000   38.380338   11.527329   20.711398
 233 Q     0.6645    0     0.000   39.608660    9.562014   18.972850
 234 Q    -1.3290    0     0.000   39.249612   11.036001   19.501974
 235 Q     0.6645    0     0.000   11.527329   16.270542   10.601364
 236 Q     0.6645    0     0.000   11.621816   15.212295   13.341467
 237 Q    -1.3290    0     0.000   10.922617   15.930391   12.056453
 238 Q     0.6645    0     0.000   34.222940   11.036001    9.599809
 239 Q     0.6645    0     0.000   33.977276   12.812343   11.961966
 240 Q    -1.3290    0     0.000   34.147351   12.472192   10.393494
 241 Q     0.6645    0     0.000   32.238728    5.083363   14.172946
 242 Q     0.6645    0     0.000   32.049755    4.837699   17.290994
 243 Q    -1.3290    0     0.000   32.616673    5.423514   15.835905
 244 Q     0.6645    0     0.000   26.909700   13.228083   13.983973
 245 Q     0.6645    0     0.000   26.928597   11.621816   11.584021
 246 Q    -1.3290    0     0.000   26.550652   12.869035   12.509987
 247 Q     0.6645    0     0.000    6.198302   19.955508   30.122235
 248 Q     0.6645    0     0.000    5.536898   21.108241   32.616673
 249 Q    -1.3290    0     0.000    6.028226   19.917713   31.728502
 250 Q     0.6645    0     0.000    0.944863   17.820117   22.790097
 251 Q     0.6645    0     0.000   -0.340151   16.894152   25.322330
 252 Q    -1.3290    0     0.000    0.472432   16.761871   23.905036
 253 Q     0.6645    0     0.000   12.018658   34.449707   27.041981
 254 Q     0.6645    0     0.000   13.095802   36.849660   28.138022
 255 Q    -1.3290    0     0.000   13.133597   35.281187   27.741180
 256 Q     0.6645    0     0.000   27.590002   36.055975   27.155365
 257 Q     0.6645    0     0.000   24.887693   36.263845   25.756967
 258 Q    -1.3290    0     0.000   26.418371   36.717379   26.210501
 259 Q     0.6645    0     0.000   30.915920   18.198063   12.396603
 260 Q     0.6645    0     0.000   31.142687   19.483076   14.872145
 261 Q    -1.3290    0     0.000   31.539529   18.349241   13.851693
 262 Q     0.6645    0     0.000   27.117570    7.747877    9.202966
 263 Q     0.6645    0     0.000   29.158474    7.521110   11.168281
 264 Q    -1.3290    0     0.000   27.760077    8.144720   10.563569
 265 Q     0.6645    0     0.000   34.695372   21.807440   32.333214
 266 Q     0.6645    0     0.000   32.200933   21.505083   33.693817
 267 Q    -1.3290    0     0.000   33.202488   21.259419   32.465495
 268 Q     0.6645    0     0.000   28.591556   16.383926    3.193637
 269 Q     0.6645    0     0.000   28.383687   16.799665    6.198302
 270 Q    -1.3290    0     0.000   27.873460   16.365028    4.648726
 271 Q     0.6645    0     0.000   22.374357   33.674920   11.772994
 272 Q     0.6645    0     0.000   20.541323   35.772516   11.886377
 273 Q    -1.3290    0     0.000   21.731851   34.997728   11.262768
 274 Q     0.6645    0     0.000    7.710083   26.040426   38.814975
 275 Q     0.6645    0     0.000   10.091138   26.550652   37.133119
 276 Q    -1.3290    0     0.000    9.335247   26.267193   38.531516
 277 Q     0.6645    0     0.000   25.190049   30.008851   18.179165
 278 Q     0.6645    0     0.000   26.323885   29.385241   20.635809
 279 Q    -1.3290    0     0.000   26.304988   30.046646   19.275207
 280 Q     0.6645    0     0.000   29.385241   22.128693    8.031336
 281 Q     0.6645    0     0.000   32.219831   22.109796    7.445521
 282 Q    -1.3290    0     0.000   30.651358   22.714508    7.332137
 283 Q     0.6645    0     0.000   -0.056692   13.360364   17.158713
 284 Q     0.6645    0     0.000    1.814137   14.248535   15.117809
 285 Q    -1.3290    0     0.000    1.209425   14.210741   16.572898
 286 Q     0.6645    0     0.000   28.950604   32.956824   11.848583
 287 Q     0.6645    0     0.000   29.252961   35.451262   13.265877
 288 Q    -1.3290    0     0.000   29.536419   33.920584   12.925727
 289 Q     0.6645    0     0.000   33.712714   17.517761   33.353666
 290 Q     0.6645    0     0.000   33.051310   15.098912   34.487502
 291 Q    -1.3290    0     0.000   32.937927   16.157158   33.391461
 292 Q     0.6645    0     0.000   31.331659   25.095563    1.247219
 293 Q     0.6645    0     0.000   32.163139   23.961727    3.647171
 294 Q    -1.3290    0     0.000   32.389906   24.453056    2.135391
 295 Q     0.6645    0     0.000   25.756967   16.780768   32.900132
 296 Q     0.6645    0     0.000   24.812104   19.275207   32.144242
 297 Q    -1.3290    0     0.000   24.660926   17.857912   32.805646
 298 Q     0.6645    0     0.000   33.599331   23.413707   25.832556
 299 Q     0.6645    0     0.000   34.147351   24.944385   23.489296
 300 Q    -1.3290    0     0.000   33.844995   24.793207   25.019974
 301 Q     0.6645    0     0.000   16.270542   31.010406   32.767851
 302 Q     0.6645    0     0.000   14.702069   31.955269   30.613563
 303 Q    -1.3290    0     0.000   15.987083   31.445043   31.274968
 304 Q     0.6645    0     0.000   29.215166   24.075111   36.226050
 305 Q     0.6645    0     0.000   31.860783   24.698721   37.133119
 306 Q    -1.3290    0     0.000   30.726947   23.810549   36.396125
 307 Q     0.6645    0     0.000    6.349480   15.892597   32.673365
 308 Q     0.6645    0     0.000    6.349480   13.095802   31.955269
 309 Q    -1.3290    0     0.000    6.632939   14.361919   32.937927
 310 Q     0.6645    0     0.000   21.448392   19.067337    6.292788
 311 Q     0.6645    0     0.000   24.358570   19.067337    5.480206
 312 Q    -1.3290    0     0.000   22.827892   19.653152    5.669178
 313 Q     0.6645    0     0.000   38.266954   19.124028   17.196508
 314 Q     0.6645    0     0.000   40.572420   17.385480   18.103576
 315 Q    -1.3290    0     0.000   39.325201   18.443727   18.292549
 316 Q     0.6645    0     0.000   37.529961   27.835666   26.531755
 317 Q     0.6645    0     0.000   39.684249   29.423036   27.590002
 318 Q    -1.3290    0     0.000   39.041742   28.194714   26.777419
 319 Q     0.6645    0     0.000   13.776104    6.330583   26.418371
 320 Q     0.6645    0     0.000   11.754097    4.856596   24.793207
 321 Q    -1.3290    0     0.000   12.339912    5.631384   26.078221
 322 Q     0.6645    0     0.000   15.004426   25.927043   33.221385
 323 Q     0.6645    0     0.000   16.686282   24.906590   35.659132
 324 Q    -1.3290    0     0.000   16.157158   25.889248   34.411913
 325 Q     0.6645    0     0.000   37.076427   14.456405    9.278555
 326 Q     0.6645    0     0.000   40.024400   14.645378    8.900610
 327 Q    -1.3290    0     0.000   38.474824   15.023323    8.673843
 328 Q     0.6645    0     0.000   28.856118   16.251645   24.245186
 329 Q     0.6645    0     0.000   28.799426   16.535104   27.117570
 330 Q    -1.3290    0     0.000   28.478173   15.798110   25.719173
 331 Q     0.6645    0     0.000   15.798110   36.717379   11.999761
 332 Q     0.6645    0     0.000   15.287884   38.096879    9.391939
 333 Q    -1.3290    0     0.000   14.966631   37.170913   10.658055
 334 Q     0.6645    0     0.000   21.240522   13.360364   35.507954
 335 Q     0.6645    0     0.000   22.015309   15.268987   33.467050
 336 Q    -1.3290    0     0.000   21.467289   13.851693   34.033968
 337 Q     0.6645    0     0.000   20.541323   21.864131   37.492166
 338 Q     0.6645    0     0.000   18.916159   21.259419   35.186701
 339 Q    -1.3290    0     0.000   19.237412   21.807440   36.698482
 340 Q     0.6645    0     0.000   37.397680   24.906590   20.994857
 341 Q     0.6645    0     0.000   35.791413   24.698721   18.708289
 342 Q    -1.3290    0     0.000   36.018180   24.982179   20.257864
 343 Q     0.6645    0     0.000    7.691185   28.289200   32.616673
 344 Q     0.6645    0     0.000    6.727425   27.741180   29.933262
 345 Q    -1.3290    0     0.000    6.689631   28.402584   31.369454
 346 Q     0.6645    0     0.000   10.771439    7.010884   33.391461
 347 Q     0.6645    0     0.000   12.453295    6.217199   31.218276
 348 Q    -1.3290    0     0.000   11.508432    5.933740   32.522187
 349 Q     0.6645    0     0.000   11.262768    4.459754   12.887932
 350 Q     0.6645    0     0.000   12.850138    6.708528   12.188734
 351 Q    -1.3290    0     0.000   12.132042    5.706973   13.171391
 352 Q     0.6645    0     0.000   32.049755   30.556872   26.399474
 353 Q     0.6645    0     0.000   31.766296   30.953714   23.470399
 354 Q    -1.3290    0     0.000   31.539529   31.331659   25.076666
 355 Q     0.6645    0     0.000   23.300323   11.943069    6.425069
 356 Q     0.6645    0     0.000   24.585337   14.437508    5.158952
 357 Q    -1.3290    0     0.000   23.338118   13.398158    5.650281
 358 Q     0.6645    0     0.000   31.539529    4.289678   25.416817
 359 Q     0.6645    0     0.000   32.994618    1.889726   25.662481
 360 Q    -1.3290    0     0.000   32.862337    3.439302   25.624686
 361 Q     0.6645    0     0.000   10.979309   29.895467   33.731611
 362 Q     0.6645    0     0.000   11.224973   27.306543   32.635570
 363 Q    -1.3290    0     0.000   10.903720   28.289200   33.769406
 364 Q     0.6645    0     0.000   35.054420   29.441933   30.046646
 365 Q     0.6645    0     0.000   34.355221   27.136467   28.232508
 366 Q    -1.3290    0     0.000   34.204043   28.534865   28.969502
 367 Q     0.6645    0     0.000   22.922378    8.465973   17.139816
 368 Q     0.6645    0     0.000   22.487741   11.395049   17.404378
 369 Q    -1.3290    0     0.000   22.941275    9.939959   17.839015
 370 Q     0.6645    0     0.000   13.379261   13.511542   16.365028
 371 Q     0.6645    0     0.000   10.733644   12.094247   16.346131
 372 Q    -1.3290    0     0.000   11.791891   13.322569   16.554001
 373 Q     0.6645    0     0.000   35.016625   10.752542   23.300323
 374 Q     0.6645    0     0.000   36.415023   12.207631   25.379022
 375 Q    -1.3290    0     0.000   35.980386   11.867480   23.886138
 376 Q     0.6645    0     0.000   11.829686   11.659610   33.769406
 377 Q     0.6645    0     0.000   13.965076   13.171391   32.881235
 378 Q    -1.3290    0     0.000   12.812343   12.150939   32.673365
 379 Q     0.6645    0     0.000    4.913288    9.939959   28.856118
 380 Q     0.6645    0     0.000    3.307021   12.245425   29.630906
 381 Q    -1.3290    0     0.000    4.214089   10.960412   29.838776
 382 Q     0.6645    0     0.000   22.279871   35.942591   22.827892
 383 Q     0.6645    0     0.000   19.861022   35.035523   24.453056
 384 Q    -1.3290    0     0.000   21.127138   36.037077   24.037316
 385 Q     0.6645    0     0.000   17.479967    8.239206   30.424591
 386 Q     0.6645    0     0.000   14.909939    9.354144   31.180481
 387 Q    -1.3290    0     0.000   15.968186    8.201411   30.915920
 388 Q     0.6645    0     0.000   21.901926   25.889248   10.450186
 389 Q     0.6645    0     0.000   24.094008   27.627796   10.695850
 390 Q    -1.3290    0     0.000   23.186940   26.456166   11.206076
 391 Q     0.6645    0     0.000   10.714747    8.409281    9.335247
 392 Q     0.6645    0     0.000   12.680062    7.842363    7.086473
 393 Q    -1.3290    0     0.000   12.075350    8.503768    8.503768
 394 Q     0.6645    0     0.000   10.374596   33.769406   17.139816
 395 Q     0.6645    0     0.000   11.867480   31.936372   18.746083
 396 Q    -1.3290    0     0.000   11.432843   32.635570   17.385480
 397 Q     0.6645    0     0.000    8.919507   29.385241   11.357254
 398 Q     0.6645    0     0.000   10.336802   30.292310   13.719412
 399 Q    -1.3290    0     0.000   10.204521   29.498625   12.358809
 400 Q     0.6645    0     0.000   28.629351    5.291233   32.881235
 401 Q     0.6645    0     0.000   26.853008    5.782562   34.941036
 402 Q    -1.3290    0     0.000   27.816769    6.236096   33.807201
 403 Q     0.6645    0     0.000   10.072240   11.300562   37.624447
 404 Q     0.6645    0     0.000    8.314795   11.905275   35.489057
 405 Q    -1.3290    0     0.000    9.259658   10.960412   36.320536
 406 Q     0.6645    0     0.000   18.330343    8.050233   26.134912
 407 Q     0.6645    0     0.000   17.196508    7.691185   23.678268
 408 Q    -1.3290    0     0.000   17.328789    8.371487   25.019974
 409 Q     0.6645    0     0.000   29.649803   11.092692   30.726947
 410 Q     0.6645    0     0.000   30.292310   12.680062   28.308097
 411 Q    -1.3290    0     0.000   30.254515   11.376151   29.271858
 412 Q     0.6645    0     0.000    6.047124   15.495754    5.083363
 413 Q     0.6645    0     0.000    8.106925   15.817008    7.275446
 414 Q    -1.3290    0     0.000    6.973089   15.117809    6.387274
 415 Q     0.6645    0     0.000   33.561536   34.997728   25.114460
 416 Q     0.6645    0     0.000   35.885899   35.054420   23.432604
 417 Q    -1.3290    0     0.000   34.846550   35.678029   24.396364
 418 Q     0.6645    0     0.000   19.842124   12.302117   11.980864
 419 Q     0.6645    0     0.000   22.657816   12.415501   13.001316
 420 Q    -1.3290    0     0.000   21.032652   12.717857   13.020213
 421 Q     0.6645    0     0.000   10.544672   18.443727   37.284297
 422 Q     0.6645    0     0.000    8.069131   17.215405   38.758283
 423 Q    -1.3290    0     0.000    9.580911   17.839015   38.550413
 424 Q     0.6645    0     0.000   28.856118    8.144720   26.928597
 425 Q     0.6645    0     0.000   27.212056    7.162062   24.887693
 426 Q    -1.3290    0     0.000   28.515967    7.162062   25.775864
 427 Q     0.6645    0     0.000   24.679823   33.561536   20.220070
 428 Q     0.6645    0     0.000   26.097118   35.867002   20.862577
 429 Q    -1.3290    0     0.000   24.812104   35.054420   20.579118
 430 Q     0.6645    0     0.000    8.692740    7.917953   14.531994
 431 Q     0.6645    0     0.000    7.672288    9.278555   16.931946
 432 Q    -1.3290    0     0.000    8.390384    9.221864   15.533549
 433 Q     0.6645    0     0.000   21.505083   27.004186    3.212534
 434 Q     0.6645    0     0.000   19.672049   27.665591    1.114938
 435 Q    -1.3290    0     0.000   20.352350   27.835666    2.532233
 436 Q     0.6645    0     0.000   30.178926   16.780768   39.986605
 437 Q     0.6645    0     0.000   27.117570   16.780768   39.929913
 438 Q    -1.3290    0     0.000   28.667145   16.308337   40.459037
 439 Q     0.6645    0     0.000    9.467528   10.147829   21.561775
 440 Q     0.6645    0     0.000    6.670733   11.130487   21.372803
 441 Q    -1.3290    0     0.000    7.861261   10.072240   21.391700
 442 Q     0.6645    0     0.000   31.350557   36.811865   18.254754
 443 Q     0.6645    0     0.000   29.933262   38.626002   20.276761
 444 Q    -1.3290    0     0.000   30.405693   38.077982   18.840570
 445 Q     0.6645    0     0.000   29.063988   39.835427   12.547782
 446 Q     0.6645    0     0.000   28.553762   39.211817   15.590241
 447 Q    -1.3290    0     0.000   28.289200   39.400790   13.927282
 448 Q     0.6645    0     0.000   24.075111   10.242316   24.415262
 449 Q     0.6645    0     0.000   24.566440    9.505322   21.694056
 450 Q    -1.3290    0     0.000   24.415262    9.259658   23.243631
 451 Q     0.6645    0     0.000   36.339434   32.900132   20.314556
 452 Q     0.6645    0     0.000   38.758283   34.147351   19.256309
 453 Q    -1.3290    0     0.000   37.870112   33.410358   20.409042
 454 Q     0.6645    0     0.000   31.728502    4.535343   21.297214
 455 Q     0.6645    0     0.000   31.974166    1.814137   20.862577
 456 Q    -1.3290    0     0.000   31.388351    3.193637   20.541323
 457 Q     0.6645    0     0.000   34.128454   19.861022   28.856118
 458 Q     0.6645    0     0.000   35.073317   18.991748   26.078221
 459 Q    -1.3290    0     0.000   34.865447   19.974405   27.419926
 460 Q     0.6645    0     0.000   17.839015   10.960412    2.683411
 461 Q     0.6645    0     0.000   18.311446   10.393494    5.442411
 462 Q    -1.3290    0     0.000   18.349241   10.072240    3.873939
 463 Q     0.6645    0     0.000    7.672288   14.361919   25.511303
 464 Q     0.6645    0     0.000    6.425069   15.287884   23.224734
 465 Q    -1.3290    0     0.000    6.595144   15.174501   24.736515
 466 Q     0.6645    0     0.000   25.530200    9.505322   31.822988
 467 Q     0.6645    0     0.000   23.262529   11.281665   31.917474
 468 Q    -1.3290    0     0.000   24.320775   10.299007   31.218276
 469 Q     0.6645    0     0.000   12.963521    6.141610   16.780768
 470 Q     0.6645    0     0.000   15.344576    6.916398   18.613802
 471 Q    -1.3290    0     0.000   13.832795    6.443966   18.179165
 472 Q     0.6645    0     0.000   28.289200   28.950604   10.317905
 473 Q     0.6645    0     0.000   27.306543   30.764741    8.352590
 474 Q    -1.3290    0     0.000   27.306543   30.046646    9.769884
 475 Q     0.6645    0     0.000   24.415262   17.839015   36.755173
 476 Q     0.6645    0     0.000   23.073556   16.346131   38.852769
 477 Q    -1.3290    0     0.000   24.056214   17.404378   38.229160
 478 Q     0.6645    0     0.000   27.911255   30.613563   30.537974
 479 Q     0.6645    0     0.000   25.870351   32.597776   31.180481
 480 Q    -1.3290    0     0.000   27.193159   32.068652   30.481283
 481 Q     0.6645    0     0.000   18.349241   33.901687   30.027748
 482 Q     0.6645    0     0.000   20.049994   35.791413   28.686043
 483 Q    -1.3290    0     0.000   19.407487   35.111112   29.933262
 484 Q     0.6645    0     0.000   27.797871    8.503768   17.763426
 485 Q     0.6645    0     0.000   30.443488    8.768329   16.459515
 486 Q    -1.3290    0     0.000   29.101782    9.278555   17.272097
 487 Q     0.6645    0     0.000   20.919268    5.669178   10.128932
 488 Q     0.6645    0     0.000   19.823227    4.308576    7.917953
 489 Q    -1.3290    0     0.000   20.352350    5.555795    8.692740
 490 Q     0.6645    0     0.000    6.897500   11.772994   13.681617
 491 Q     0.6645    0     0.000    7.067576   14.172946   12.302117
 492 Q    -1.3290    0     0.000    6.292788   13.001316   12.963521
 493 Q     0.6645    0     0.000   22.657816   31.274968    2.456644
 494 Q     0.6645    0     0.000   25.586892   32.182036    2.929076
 495 Q    -1.3290    0     0.000   24.037316   32.182036    2.248774
 496 Q     0.6645    0     0.000   22.431049   40.383447   17.725631
 497 Q     0.6645    0     0.000   22.204282   38.191365   19.331898
 498 Q    -1.3290    0     0.000   21.618467   39.268509   18.368138
 499 Q     0.6645    0     0.000   39.740941   16.705179   29.404139
 500 Q     0.6645    0     0.000   37.870112   18.481522   27.854563
 501 Q    -1.3290    0     0.000   39.344098   17.839015   28.345892
 502 Q     0.6645    0     0.000   17.423275    2.003110   13.265877
 503 Q     0.6645    0     0.000   20.068892    0.680301   13.927282
 504 Q    -1.3290    0     0.000   18.878364    1.303911   13.001316
 505 Q     0.6645    0     0.000   11.300562   17.668939    0.963760
 506 Q     0.6645    0     0.000   11.867480   18.897261    3.495993
 507 Q    -1.3290    0     0.000   11.886377   17.706734    2.456644
 508 Q     0.6645    0     0.000   21.712953    0.925966   30.897022
 509 Q     0.6645    0     0.000   20.824782    1.719651   28.232508
 510 Q    -1.3290    0     0.000   21.712953    1.833034   29.630906
 511 Q     0.6645    0     0.000   40.194475   21.637364   20.579118
 512 Q     0.6645    0     0.000   42.254276   23.489296   21.845234
 513 Q    -1.3290    0     0.000   40.780290   22.979070   21.316111
 514 Q     0.6645    0     0.000    9.297453    7.388829   26.569549
 515 Q     0.6645    0     0.000    7.502213    8.447076   24.490851
 516 Q    -1.3290    0     0.000    8.012439    8.201411   25.983734
 517 Q     0.6645    0     0.000   29.668700   14.418610   33.202488
 518 Q     0.6645    0     0.000   28.326995   12.736754   35.016625
 519 Q    -1.3290    0     0.000   28.440378   13.719412   33.807201
 520 Q     0.6645    0     0.000   23.753858   12.207631   28.138022
 521 Q     0.6645    0     0.000   25.171152   14.229638   26.153810
 522 Q    -1.3290    0     0.000   23.923933   13.190288   26.758522
 523 Q     0.6645    0     0.000   15.155604   34.430810    8.314795
 524 Q     0.6645    0     0.000   15.741419   33.391461    5.536898
 525 Q    -1.3290    0     0.000   14.928836   33.618228    6.916398
 526 Q     0.6645    0     0.000   16.554001   29.706495   40.156680
 527 Q     0.6645    0     0.000   17.423275   28.780529   37.624447
 528 Q    -1.3290    0     0.000   17.631145   29.234063   39.079536
 529 Q     0.6645    0     0.000   29.158474   13.265877   17.423275
 530 Q     0.6645    0     0.000   30.273413   15.231193   15.609138
 531 Q    -1.3290    0     0.000   29.366344   14.720967   16.856357
 532 Q     0.6645    0     0.000   16.440617   14.607583    2.305466
 533 Q     0.6645    0     0.000   15.268987   13.624925   -0.037795
 534 Q    -1.3290    0     0.000   16.516206   13.965076    0.888171
 535 Q     0.6645    0     0.000   30.216721   12.774549    1.114938
 536 Q     0.6645    0     0.000   30.027748   11.924172    4.214089
 537 Q    -1.3290    0     0.000   30.651358   12.113145    2.664514
 538 Q     0.6645    0     0.000   25.586892    0.207870   14.456405
 539 Q     0.6645    0     0.000   25.246741    2.399952   16.138261
 540 Q    -1.3290    0     0.000   24.698721    1.209425   15.306782
 541 Q     0.6645    0     0.000   17.309891   39.287406   19.048439
 542 Q     0.6645    0     0.000   15.968186   40.194475   21.467289
 543 Q    -1.3290    0     0.000   16.119364   39.873221   19.917713
 544 Q     0.6645    0     0.000   27.665591   33.958379    5.725870
 545 Q     0.6645    0     0.000   29.933262   32.276522    5.007774
 546 Q    -1.3290    0     0.000   28.402584   32.559981    5.272336
 547 Q     0.6645    0     0.000   38.909461   29.517522   15.741419
 548 Q     0.6645    0     0.000   40.780290   28.686043   17.933501
 549 Q    -1.3290    0     0.000   40.270064   28.988399   16.402823
 550 Q     0.6645    0     0.000    3.193637   20.295659    9.013994
 551 Q     0.6645    0     0.000    6.009329   20.371248    8.371487
 552 Q    -1.3290    0     0.000    4.421959   20.579118    8.106925
 553 Q     0.6645    0     0.000    6.651836    6.651836   19.577563
 554 Q     0.6645    0     0.000    6.103815    3.873939   19.369693
 555 Q    -1.3290    0     0.000    5.877048    5.385719   19.010645
 556 Q     0.6645    0     0.000   16.194953   10.280110    9.278555
 557 Q     0.6645    0     0.000   16.213850   12.906829    8.182514
 558 Q    -1.3290    0     0.000   16.875254   11.565124    8.768329
 559 Q     0.6645    0     0.000    4.894391   23.054659   22.015309
 560 Q     0.6645    0     0.000    4.894391   22.374357   24.736515
 561 Q    -1.3290    0     0.000    4.592035   23.357015   23.545988
 562 Q     0.6645    0     0.000    1.209425   11.036001   21.807440
 563 Q     0.6645    0     0.000    3.004665   12.642268   23.243631
 564 Q    -1.3290    0     0.000    2.475541   11.262768   22.676714
 565 Q     0.6645    0     0.000   31.747399   18.651597    7.936850
 566 Q     0.6645    0     0.000   31.879680   15.665830    8.787227
 567 Q    -1.3290    0     0.000   31.199378   17.139816    8.428179
 568 Q     0.6645    0     0.000   30.745844   33.977276   28.931707
 569 Q     0.6645    0     0.000   31.085995   36.490612   30.689152
 570 Q    -1.3290    0     0.000   31.293865   35.489057   29.385241
 571 Q     0.6645    0     0.000   35.111112   34.109557   15.798110
 572 Q     0.6645    0     0.000   32.427700   33.599331   15.646932
 573 Q    -1.3290    0     0.000   33.674920   34.052865   16.421720
 574 Q     0.6645    0     0.000   20.087789    5.839254   19.936611
 575 Q     0.6645    0     0.000   19.331898    8.654946   19.785433
 576 Q    -1.3290    0     0.000   19.124028    7.124268   19.861022
 577 Q     0.6645    0     0.000   30.708050   26.664036   12.339912
 578 Q     0.6645    0     0.000   31.577324   26.002632    9.410836
 579 Q    -1.3290    0     0.000   31.199378   26.909700   10.771439
 580 Q     0.6645    0     0.000   20.673604   18.859467   32.295420
 581 Q     0.6645    0     0.000   20.711398   21.410597   31.312762
 582 Q    -1.3290    0     0.000   20.125583   20.257864   32.163139
 583 Q     0.6645    0     0.000   24.131803    8.012439    4.289678
 584 Q     0.6645    0     0.000   22.903481    7.804569    6.859706
 585 Q    -1.3290    0     0.000   24.056214    8.295898    5.839254
 586 Q     0.6645    0     0.000   22.790097    5.404617   23.413707
 587 Q     0.6645    0     0.000   21.712953    2.664514   22.865686
 588 Q    -1.3290    0     0.000   22.487741    4.062911   22.563330
 589 Q     0.6645    0     0.000   22.960173   32.559981   34.676475
 590 Q     0.6645    0     0.000   21.675159   33.391461   32.257625
 591 Q    -1.3290    0     0.000   22.941275   33.108002   33.183591
 592 Q     0.6645    0     0.000   28.138022   21.127138   29.328550
 593 Q     0.6645    0     0.000   29.952159   19.917713   30.934817
 594 Q    -1.3290    0     0.000   28.742734   19.861022   29.989954
 595 Q     0.6645    0     0.000   31.180481   27.419926   30.953714
 596 Q     0.6645    0     0.000   29.063988   26.834111   33.202488
 597 Q    -1.3290    0     0.000   29.687598   27.098673   31.634015
 598 Q     0.6645    0     0.000   16.402823   21.883029    3.666069
 599 Q     0.6645    0     0.000   16.799665   19.615357    5.442411
 600 Q    -1.3290    0     0.000   16.308337   21.089344    5.064466
 601 Q     0.6645    0     0.000    5.895946   20.957063   18.122474
 602 Q     0.6645    0     0.000    3.609377   22.620022   17.253200
 603 Q    -1.3290    0     0.000    4.648726   21.920823   18.311446
 604 Q     0.6645    0     0.000   11.527329   14.720967   39.646454
 605 Q     0.6645    0     0.000   11.565124   12.604473   41.573975
 606 Q    -1.3290    0     0.000   12.037555   13.322569   40.213372
 607 Q     0.6645    0     0.000   23.640474    4.894391   13.813898
 608 Q     0.6645    0     0.000   24.660926    7.294343   12.774549
 609 Q    -1.3290    0     0.000   23.602679    6.406172   13.568234
 610 Q     0.6645    0     0.000   10.034446   19.256309   17.366583
 611 Q     0.6645    0     0.000    8.806124   17.782323   15.117809
 612 Q    -1.3290    0     0.000    8.881713   18.840570   16.308337
 613 Q     0.6645    0     0.000   22.676714    7.086473   28.572659
 614 Q     0.6645    0     0.000   20.975960    5.215644   29.007296
 615 Q    -1.3290    0     0.000   21.335008    6.538452   28.440378

--------------------------------
INTERNAL COORDINATES (ANGSTROEM)
--------------------------------
 C      0   0   0     0.000000000000     0.00000000     0.00000000
 H      1   0   0     1.105848090833     0.00000000     0.00000000
 H      1   2   0     1.062732327541   105.37031833     0.00000000
 C      1   2   3     1.524762276553   113.99177222   242.49515517
 H      4   1   2     1.100999545867   105.18396589   185.29471537
 H      4   1   2     1.093343495888   103.39136671   297.39625535
 C      4   1   2     1.516575088810   113.41697388    57.59852831
 H      7   4   1     1.087060255920   102.20740107    41.76156818
 H      7   4   1     1.097724920005   115.50353707   286.57724831
 C      7   4   1     1.540843924608   114.67641250   160.15374395
 H     10   7   4     1.068924693325   107.89888413   176.80704946
 H     10   7   4     1.065973733260   114.48722366    56.56752186
 O     10   7   4     1.481080686526   105.47216350   298.75072263
 H     13  10   7     0.957340064972   107.14570156   287.38544395
 O      1   2   3     1.459931505243   116.28330315   114.93021276
 H     15   1   2     0.944510455209   104.74244377    22.12251695
 O     11  10   7     2.892576705984   128.52173840    22.48405949
 H     17  11  10     0.960520692125   118.08247088   142.08012284
 H     17  11  10     0.952102935611   121.18632401    17.42274894
 O      3   1   2     3.103626910568   171.64275956   127.07087743
 H     20   3   1     0.971493695296   132.84611288    27.78611175
 H     20   3   1     0.962548700067    47.03923147   329.52860664
 O     16  15   1     3.058185736675   112.53485796   246.82973632
 H     23  16  15     0.951892851113    62.00138876   115.71594049
 H     23  16  15     0.993478736562    51.41441647   256.54063972
 O     22  20   3     1.955862980886   157.49936697   132.85352831
 H     26  22  20     1.001249219725   108.43584871   205.22712422
 H     26  22  20     0.943874991723    88.63427415   307.45765896
 O     13  10   7     2.831112855398   117.44823420   131.45466476
 H     29  13  10     0.958592718520   110.21126367   332.85248725
 H     29  13  10     1.000299955013     2.34029035   342.72490891
 O     14  13  10     2.226319833267   146.02090668   234.25491136
 H     32  14  13     1.019705839936    92.54233141    85.71683187
 H     32  14  13     0.987015704029    62.43684716   185.66851900
 O     29  13  10     3.042975517483    89.40807767   196.65927621
 H     35  29  13     0.992421281513    23.78114947   171.62587915
 H     35  29  13     0.994585340733   129.04782451   196.15559247
 O     22  20   3     2.701295985263   119.22024696   263.08087789
 H     38  22  20     0.977036335046    75.17729511   324.75978719
 H     38  22  20     0.961041102139    85.08996886   205.12755014
 O     19  17  11     2.244504399639   177.17380804   291.62505643
 H     41  19  17     0.954201236637    82.06397434   232.70619422
 H     41  19  17     1.003892424516   160.72224923   109.45185618
 O     42  41  19     2.211379659850   143.62254719   324.70988712
 H     44  42  41     1.016562836228    79.00363081   247.94415495
 H     44  42  41     0.898554394569   118.90646231   346.34490169
 O     28  26  22     2.322024978332   131.90739427   227.39896149
 H     47  28  26     0.968813707583    76.81570400    45.92747538
 H     47  28  26     0.954620343383   131.64863258   146.15010406
 O     28  26  22     2.234591685297   127.29878052    68.40929854
 H     50  28  26     0.954672718789   112.64310202    56.06462805
 H     50  28  26     0.962600644089   110.49991840   177.04287281
 O     24  23  16     2.044602650884   163.51079806   299.51306810
 H     53  24  23     1.008910303248   154.83290107   318.15839645
 H     53  24  23     0.978263768112    80.23622914   193.55406024
 O     26  22  20     2.688828741292   119.12832879    80.10265272
 H     56  26  22     0.934505216679   114.87619565   144.41941785
 H     56  26  22     0.971236325515    12.76936176   196.53541606
 O     57  56  26     1.897103054660   158.97290964   241.96212667
 H     59  57  56     0.972728122345   117.62275728    14.16621241
 H     59  57  56     0.971030380575    97.87196816   121.05806712
 O     11  10   7     3.349343219200   125.66469882   189.28749633
 H     62  11  10     0.931557835027    56.49344629   242.63253116
 H     62  11  10     0.967729300993    67.94653959   114.25267324
 O     17  11  10     2.723398612029    76.02753410   239.27936281
 H     65  17  11     1.010791768862     6.42484157    85.04328456
 H     65  17  11     0.936002136750   109.08540989    26.70172212
 O     34  32  14     1.903286631067   177.97445413   140.32843546
 H     68  34  32     0.915914843203   129.56211455   111.36696272
 H     68  34  32     0.963223753860   121.87492707   297.16533947
 O     54  53  24     1.919739565670   146.08911977    29.68339910
 H     71  54  53     0.974525525576   148.80321778    72.49217655
 H     71  54  53     0.994886928249    77.96305602   342.13668286
 O     29  13  10     2.759510826215    86.25559354    64.86335505
 H     74  29  13     0.960052081921   116.22000689   347.57783417
 H     74  29  13     0.996092365195     7.32418908   280.25436425
 O     21  20   3     2.811138559374   160.33991732   124.48363802
 H     77  21  20     0.951892851113    53.96972041   235.76706304
 H     77  21  20     0.972676719162   104.50819630   128.54164102
 O     16  15   1     1.788658715351   145.30978454    64.39718440
 H     80  16  15     0.952365476065   151.94537791   202.91017615
 H     80  16  15     0.971236325515    95.43028244    57.35378182
 O      9   7   4     2.615874614732   161.96329513    42.83477110
 H     83   9   7     0.973139250056    68.83271331   307.91254412
 H     83   9   7     0.968349110600    69.08658205   202.18099984
 O     30  29  13     2.074102215418   175.57770428    69.98302946
 H     86  30  29     1.025524256173   105.32879169   337.02619776
 H     86  30  29     0.993277403347   122.99194435    94.17080257
 O     55  53  24     2.024475240649   143.07822186    26.27108992
 H     89  55  53     0.962185013394   115.40223985   313.33125778
 H     89  55  53     0.950841732361   129.04927960   174.59410588
 O     43  41  19     1.725253604546   164.99314922   345.75340623
 H     92  43  41     0.977036335046   109.44315670   349.34230675
 H     92  43  41     0.992018144995   130.17853617   209.89801584
 O     18  17  11     2.037179422633   159.30555884     7.70033238
 H     95  18  17     0.968349110600    91.77779838   109.15630246
 H     95  18  17     0.961873172513   134.72025460   225.69199789
 O     84  83   9     1.890132270504   153.18008579   149.98380629
 H     98  84  83     0.954463199919    95.01803395   330.74007149
 H     98  84  83     0.961821189203   134.32213123   217.40997961
 O     25  23  16     2.269647549731   114.16619709   192.83645575
 H    101  25  23     0.976575649911   100.94405134   166.19976545
 H    101  25  23     0.945039681707   136.86755419   291.02327220
 Q     62  11  10     5.158555999502   147.77987532    31.19187696
 Q    104  62  11     1.563233827679    63.15533222   268.50335859
 Q    105 104  62     0.859127464350    25.49875971     0.10599847
 Q     52  50  28     2.441741182026   156.24589042   185.76853525
 Q    107  52  50     1.548838274320    69.36789572   219.20136209
 Q    108 107  52     0.840238061504    24.13834355    34.26462790
 Q    105 104  62     2.338076132208   168.11438382   248.45019425
 Q    110 105 106     1.571146078504    74.62280256   259.98129396
 Q    110 105 106     0.841546195999    60.38591835   239.77921424
 Q     99  98  84     2.518630580296   108.49544045   153.88140056
 Q    113  99  98     1.540227255959    56.79721125   260.16904048
 Q    114 113  99     0.834625664595    25.96048322   269.16451778
 Q     46  44  42     2.123487697162   131.30284370   288.27172762
 Q    116  46  44     1.571018777736    87.96264025   264.83409882
 Q    116  46  44     0.862148479092    81.93655950   240.59353055
 Q     45  44  42     3.982988827501   135.60464849   277.14180529
 Q    119  45  44     1.661023780685    55.39855738    12.34800490
 Q    120 119  45     0.884137998279    20.95991835   274.78647448
 Q     79  77  21     3.515053342412   116.77831603   305.85444117
 Q    122  79  77     1.532905737480   115.52946289   145.53234681
 Q    122  79  77     0.834625664595    97.03670522   129.88946073
 Q     98  84  83     6.195530647168    99.33103327   111.20706064
 Q    125  98  84     1.501565849372   139.62672142    70.80763287
 Q    125  98  84     0.811726554943   126.55799633    41.20290775
 Q     88  86  30     5.720498230050   107.47121334   132.49140435
 Q    128  88  86     1.601905115792    84.63001879   231.08008311
 Q    128  88  86     0.855160803592    78.90008400   207.87836088
 Q    103 101  25     2.323273552555   149.02107078   312.75033509
 Q    131 103 101     1.580822570689    81.16319262   197.52665035
 Q    131 103 101     0.833186653758    58.87456036   197.78820469
 Q    111 110 105     3.792743070655    84.02397854   159.17935646
 Q    134 111 110     1.533427533338   107.99885121     3.75459740
 Q    134 111 110     0.852173691216    97.65074649    29.04882422
 Q     44  42  41     3.496884327512   108.66260862   139.58487990
 Q    137  44  42     1.451275301244    67.37280513   270.58167573
 Q    137  44  42     0.825953993876    87.67242878   291.69854879
 Q     38  22  20     2.125323504787   158.21462805   262.34512032
 Q    140  38  22     1.579398619728   128.81222888   193.94810688
 Q    141 140  38     0.849588135510    23.97167204   196.59816091
 Q    136 134 111     2.109620819010   123.80430041    15.02723596
 Q    143 136 134     1.572545706808   116.12909652   225.96144988
 Q    144 143 136     0.845399313934    24.12619220   204.16812767
 Q     67  65  17     2.363281616736    86.34796086   236.65971140
 Q    146  67  65     1.605895388872    88.46143346   167.49043392
 Q    146  67  65     0.849176071260    97.55628740   146.48014248
 Q     96  95  18     3.041611415023   103.29250247   232.99854890
 Q    149  96  95     1.547707982793   130.28915101   234.48783436
 Q    149  96  95     0.843208159353   131.87305646   266.47417595
 Q    150 149  96     2.887126599233   101.65102324   334.61016216
 Q    152 150 149     1.549290160041   137.88174568    51.34521982
 Q    152 150 149     0.837317144217   124.70289925    22.56022792
 Q    116  46  44     2.995496619928   155.99177413    50.01313217
 Q    155 116  46     1.595650337637   150.01923104   160.69099522
 Q    156 155 116     0.861162005664    24.47887809    68.03269357
 Q    105 104  62     2.817108446617    88.56218509   111.17364724
 Q    158 105 104     1.574611063088    71.26578522   278.14444528
 Q    159 158 105     0.862148479092    25.07547294   219.93496870
 Q    159 158 105     3.618038142419   102.31302438   157.15603230
 Q    161 159 158     1.537042614894    13.84976819   327.50048804
 Q    161 159 158     0.821401241781    30.88684454   267.39325648
 Q    146  67  65     2.446589462905    90.63421265   318.94293829
 Q    164 146  67     1.567194946393    80.37481877    23.15412086
 Q    165 164 146     0.840178552452    24.48608920   144.19239404
 Q    139 137  44     2.834219469272   147.26730657   184.11935440
 Q    167 139 137     1.576451711915   142.97632138   254.01915124
 Q    167 139 137     0.859883713068   130.02648610   223.23113802
 Q    144 143 136     2.300847669882   143.36164782   275.53817815
 Q    170 144 143     1.486068639061    95.66975852   238.78809289
 Q    170 144 143     0.816700679564   121.77113602   245.43386511
 Q    141 140  38     2.658477007612   123.41543562   176.81455196
 Q    173 141 140     1.472514855613    69.79096246   181.21181518
 Q    173 141 140     0.797809501072    84.71666189   204.07539206
 Q     74  29  13     1.774964788383    99.74074551   158.71291289
 Q    176  74  29     1.423411395205   116.36017994   110.11147511
 Q    177 176  74     0.811788149704    30.54099032   199.21449697
 Q    107  52  50     5.115447194528    87.25356149   103.76332399
 Q    179 107  52     1.561697794069    63.08313046    27.26119016
 Q    179 107  52     0.846522297403    74.62536462    49.82153108
 Q    181 179 107     3.429883379942   109.30544603   189.89289018
 Q    182 181 179     1.633248297106    19.73873670    40.12404180
 Q    183 182 181     0.866256313108    21.58443963   171.12800679
 Q    174 173 141     4.401249822494   135.51124030   305.75665301
 Q    185 174 173     1.459246380842   100.44094846    80.55554280
 Q    186 185 174     0.821401241781    28.23578090    15.42992745
 Q    114 113  99     4.526510797513   104.19874878   176.77203209
 Q    188 114 113     1.564416824251     9.61370546   238.13810297
 Q    188 114 113     0.845990543682    19.56433061   347.10667752
 Q    139 137  44     2.562615851040    85.41491639    50.56888314
 Q    191 139 137     1.495526663086   150.63374967   104.52684731
 Q    191 139 137     0.839702328209   139.38256544    59.39788783
 Q    102 101  25     5.892274603241   110.58632668   233.99094982
 Q    194 102 101     1.508011936292    92.01094482   249.29055611
 Q    195 194 102     0.813265024454    23.20472703   219.76549390
 Q     68  34  32     2.180160544547    72.26631533    43.93312915
 Q    197  68  34     1.592827674295   148.62668686   177.71390786
 Q    198 197  68     0.847761758987    22.41669638   210.09017459
 Q     76  74  75     2.064315867303    80.68581822   242.12699165
 Q    200  76  74     1.559807680453   151.14275672   110.36722913
 Q    201 200  76     0.841249071322    25.54666230   207.75304093
 Q    135 134 111     5.122997169626    84.50542053   222.79435735
 Q    203 135 134     1.590251552428    70.21306873   131.73897801
 Q    204 203 135     0.852349693494    23.93398131   325.61433791
 Q    151 149  96     2.056745001209   120.35036235   118.06784464
 Q    206 151 149     1.556727336434   144.23804400   290.30309582
 Q    206 151 149     0.841486779456   154.63677592   247.93415723
 Q     94  92  43     2.243969696765   165.10902794   150.49622672
 Q    209  94  92     1.589748407768    84.21457613    27.89277331
 Q    210 209  94     0.842258867570    22.62890339   306.46059796
 Q     47  28  26     2.184605227495    73.58275912   243.06233362
 Q    212  47  28     1.527186956466   121.68322010    73.05616422
 Q    212  47  28     0.829759001156   134.40987359   100.73725510
 Q     88  86  30     2.380966190436   161.92094158    23.48881365
 Q    215  88  86     1.464445287472    56.08500598   134.68853552
 Q    215  88  86     0.835763124336    45.43763689    97.52634720
 Q    126 125  98     3.249738451014   116.95605011     6.16670075
 Q    218 126 125     1.471223980229    78.38987361    87.13039815
 Q    218 126 125     0.830782763423    89.34210288   113.04765794
 Q    194 102 101     3.212273338307   111.08061657    90.32950796
 Q    221 194 102     1.631103920662    68.66682260   330.89707472
 Q    222 221 194     0.871665073294    22.25123139   185.99488234
 Q     35  29  13     1.892987057536    84.38209059    89.31005823
 Q    224  35  29     1.552546295606   120.81660614   154.03677422
 Q    224  35  29     0.851997652579   145.51457666   152.74635403
 Q    122  79  77     2.733697130262    54.96904578   323.17883503
 Q    227 122  79     1.534763825479    71.72704352   312.18301809
 Q    227 122  79     0.834925146345    48.83716322   296.11045078
 Q    132 131 103     2.847209159862   108.87402763    71.52943533
 Q    230 132 131     1.450068963877   166.16088881    15.96896272
 Q    231 230 132     0.801186619958    28.61230079   312.50883771
 Q    161 159 158     2.617269569609   136.75245217    55.39356252
 Q    233 161 159     1.533134045020    81.90986242   228.55109285
 Q    233 161 159     0.829939756850    69.64951830   250.44524369
 Q    169 167 139     2.306469163028   103.01350963     2.99088931
 Q    236 169 167     1.555184876470   132.17515848   181.37006012
 Q    236 169 167     0.853053339481   141.42924071   146.82393217
 Q    163 161 159     3.440784794200   122.49636988   206.77827697
 Q    239 163 161     1.569394787808    25.44115948   106.13573874
 Q    240 239 163     0.854049178912    24.62933464   108.70164819
 Q    126 125  98     3.780925812549   130.23088867   281.82535125
 Q    242 126 125     1.658131478502    34.09079779   163.34587623
 Q    243 242 126     0.882609766545    23.62749437   217.99651015
 Q    147 146  67     2.281008548866   153.41252225    45.64912355
 Q    245 147 146     1.528234275234    71.21026042    74.88181114
 Q    245 147 146     0.824984848346    48.03147008    66.80533612
 Q    142 141 140     1.949410167204   103.06523161   240.57287320
 Q    248 142 141     1.495660389260   153.40676912   199.43409571
 Q    249 248 142     0.827888881433    27.76268088   188.39412261
 Q    174 173 141     2.833884260163    89.95194385   279.47857802
 Q    251 174 173     1.580537883127    52.34795565   301.09633395
 Q    251 174 173     0.850999412456    43.93786293   271.63156625
 Q    124 122  79     2.008631374842    82.15243055    30.84976501
 Q    254 124 122     1.508045092164   151.66172827    75.38482543
 Q    254 124 122     0.823771813065   177.36168895    25.38808649
 Q    107  52  50     3.164711677231   142.50043821   338.57743626
 Q    257 107  52     1.613877318758    73.54323776   341.55385418
 Q    257 107  52     0.870000000000    95.82848504   337.07031699
 Q    159 158 105     2.553487810819   164.12490716   357.76418153
 Q    260 159 158     1.480844353739    73.26996433   248.33319369
 Q    261 260 159     0.834086326467    28.03698212   309.31581065
 Q    246 245 147     2.408339677039   155.29735784   195.57572948
 Q    263 246 245     1.504127654157    74.69125984   315.12948939
 Q    263 246 245     0.823468275042    48.90003378   328.50480743
 Q    225 224  35     4.828229489161   110.28331919   254.68425026
 Q    266 225 224     1.512084653715    59.75997943   225.88415947
 Q    266 225 224     0.844452485342    52.49731509   257.14259203
 Q    148 146  67     3.954908342806    85.72924768   178.98776982
 Q    269 148 146     1.608912676313    27.84975328   170.99916136
 Q    269 148 146     0.858719977641     5.52170671   210.40461650
 Q    204 203 135     2.730750812506   170.13715272    95.08937327
 Q    272 204 205     1.475330471454    84.98614584   155.18291638
 Q    273 272 204     0.820914124620    26.27354069     9.59714240
 Q    249 248 142     4.346607872813   148.09988775   290.35367222
 Q    275 249 248     1.566077903554    83.54310617     3.61662299
 Q    276 275 249     0.854458893101    25.96291096   222.02433421
 Q     32  14  13     2.070676218051   103.48747141   315.55104138
 Q    278  32  14     1.469319570413   126.26282609   338.54859487
 Q    279 278  32     0.800624756050    25.97972793   157.04825013
 Q     62  11  10     1.968197144597   178.75039733   204.72321378
 Q    281  62  63     1.531731046888   143.02573429   127.11858151
 Q    281  62  63     0.825772365728   157.39287354    76.04282723
 Q    185 174 173     2.775499954963    97.97067065   269.06455099
 Q    284 185 174     1.538635759366    62.85020832   163.79985583
 Q    285 284 185     0.834086326467    25.55567136   328.40752009
 Q    135 134 111     2.087103255711   123.25921644   270.80134180
 Q    287 135 134     1.526597523907    79.21515955   224.49061815
 Q    287 135 134     0.825287828579    68.31698077   202.07968045
 Q    268 266 225     2.052851675110   103.13026694   159.59901510
 Q    290 268 266     1.456331006331   155.56714721   151.50023443
 Q    291 290 268     0.808455317256    27.55764814    79.47393568
 Q    208 206 151     2.172441023365    93.55961162   212.38686962
 Q    293 208 206     1.471903529447    93.74937888   282.10253216
 Q    293 208 206     0.806287789812   119.57386387   270.52442001
 Q    292 291 290     3.823153148907   100.50636483   229.29691647
 Q    296 292 291     1.467105994807   115.78186396   149.75035409
 Q    296 292 291     0.814739222083   140.54593166   134.85321889
 Q     36  35  29     3.369065152234   125.45793642   204.45494578
 Q    299  36  35     1.509238218440    62.39277107   244.41104638
 Q    300 299  36     0.829517932296    26.98859203    80.53853026
 Q     51  50  28     2.537242597782   171.15025299   320.74914972
 Q    302  51  50     1.496161755961    76.65498248   296.15362914
 Q    303 302  51     0.811048703840    25.15243757   335.13659947
 Q    181 179 107     2.185314622657    89.16991944   112.78470109
 Q    305 181 179     1.516344288082   143.14302972   342.35041349
 Q    305 181 179     0.817129120764   166.31627639   313.32492764
 Q    250 249 248     2.194493107759   129.31532022   195.21774741
 Q    308 250 249     1.528005235593   152.06203901   151.48371777
 Q    308 250 249     0.835583628370   173.20435867   220.32454069
 Q    166 165 164     1.960561144163    90.48001501   278.62035239
 Q    311 166 165     1.598905875904   130.81419816   132.47651901
 Q    311 166 165     0.859011059300   146.39022248   158.18045007
 Q    160 159 158     1.952280717520   127.17715932   197.27506572
 Q    314 160 159     1.601624175642   126.39740384   110.89666555
 Q    315 314 160     0.871320836432    24.24899355   180.48857062
 Q    301 300 299     2.652282036285    95.40394573   132.14518029
 Q    317 301 300     1.522760650923   174.99643628   218.78723104
 Q    317 301 300     0.832466215531   153.14987689   287.99439364
 Q    113  99  98     2.167048684271   157.62018155   343.42916573
 Q    320 113  99     1.578892016574    94.74107325   248.02749511
 Q    321 320 113     0.852408352845    23.27856508   249.51979275
 Q     56  26  22     1.851620911526    96.75831548   240.06141243
 Q    323  56  26     1.657648937502   133.54138320   262.84237332
 Q    323  56  26     0.877154490384   152.05670711   275.68370863
 Q    241 240 239     1.962931481229   105.22321890   230.77804183
 Q    326 241 240     1.575944161447   148.62012198    88.87113881
 Q    327 326 241     0.852525659438    23.16625676   160.57139953
 Q     86  30  29     2.253042387528   103.73591692   222.32586281
 Q    329  86  30     1.527677976538   139.93358910   286.65977488
 Q    329  86  30     0.840238061504   162.98211578   260.08513926
 Q    157 156 155     2.313676727635   129.28587922   179.84479446
 Q    332 157 156     1.584361069958   154.71848350    46.40746124
 Q    333 332 157     0.847289796941    22.92315836   170.38664414
 Q    232 231 230     2.068163436482   114.39970417   196.67469779
 Q    335 232 231     1.534470592745   137.76050396   258.62753908
 Q    335 232 231     0.830903123114   162.35547680   270.02074599
 Q    184 183 182     1.931035991379    93.13905272   258.19044604
 Q    338 184 183     1.526564770981   152.48416753    68.27283192
 Q    338 184 183     0.808331615118   175.49735549    11.29521572
 Q    300 299  36     2.168225080567   130.36582189   199.88435508
 Q    341 300 299     1.482801402751    92.44936948   130.34481187
 Q    341 300 299     0.828613299435    65.62072013   137.37890601
 Q    276 275 249     2.858566074101    99.97300518    56.80948780
 Q    344 276 275     1.536424420530   149.25541470   261.22777070
 Q    345 344 276     0.836958780347    24.46139434   142.66472499
 Q    222 221 194     3.589568219160   145.22238643   284.90638464
 Q    347 222 221     1.513604968279    33.95881440   221.97852389
 Q    347 222 221     0.829819257429    26.40217167   276.20662714
 Q    189 188 190     3.902319822875    87.52902807   194.01476940
 Q    350 189 188     1.502863932630   103.64093794   187.48637170
 Q    350 189 188     0.818352002503    79.00626978   184.46231154
 Q     37  35  29     2.275148346812   163.02128970   324.27317487
 Q    353  37  35     1.571337010320    61.80146761   100.44151259
 Q    353  37  35     0.854985379992    65.22355370   128.85193277
 Q    164 146  67     2.558163403694    64.57576454   249.79708136
 Q    356 164 146     1.629018109169    66.51206541   295.84667146
 Q    356 164 146     0.872582374335    43.95624367   288.21262850
 Q    219 218 126     2.559316314956   135.27203882    47.46159910
 Q    359 219 218     1.490872227926   146.61754739    36.70496204
 Q    360 359 219     0.823225364041    26.54957761    56.86543001
 Q    344 276 275     2.024401146018    60.63298932   142.74881377
 Q    362 344 276     1.493385415758    64.94068660    74.05181555
 Q    363 362 344     0.811972905952    26.78315362   280.41801642
 Q    317 301 300     2.428621007897    92.68725797   144.91009498
 Q    365 317 301     1.595900999436    52.90068316     8.64568354
 Q    366 365 317     0.840297566342    21.51392383   238.26457117
 Q    125  98  84     2.845522799065    39.53970336     2.27794611
 Q    368 125  98     1.573213272255   138.23633446    55.18063303
 Q    369 368 125     0.838689453850    22.78214264   356.66894055
 Q     83   9   7     1.797915459637   141.56068380    27.36071458
 Q    371  83   9     1.588269498542   168.57595060   182.71541051
 Q    371  83   9     0.851821577562   167.92176822    36.20822280
 Q    220 218 126     2.155040602866   115.93426151   169.36007495
 Q    374 220 218     1.533134045020   154.43115758   124.06535323
 Q    374 220 218     0.839225833730   164.90964317    55.18106182
 Q    347 222 221     2.530849659699   111.24170768   143.14838169
 Q    377 347 222     1.462121745957   132.64379240    15.15020838
 Q    377 347 222     0.821218606706   113.08124150    37.89987491
 Q    309 308 250     2.460914464178   145.38842027   336.58125961
 Q    380 309 308     1.542400726141    57.06288683   323.81047137
 Q    380 309 308     0.836002392341    44.26076494   298.78686291
 Q    258 257 107     2.082258389346   157.36644792   275.47036161
 Q    383 258 257     1.615054178658    98.80887426   141.22504195
 Q    384 383 258     0.882156448710    24.03517830    55.68497850
 Q    222 221 194     2.709409529768   135.79881941    75.18668904
 Q    386 222 221     1.535480380858    94.93102802   193.21649618
 Q    387 386 222     0.839821409587    24.05931698   356.41338622
 Q     95  18  17     1.796134738821    91.61932043   330.68992895
 Q    389  95  18     1.486236858647   145.41710976   195.93245477
 Q    390 389  95     0.829276793357    27.61479158   172.15553227
 Q    351 350 189     2.089736825536   102.51405064   218.69926979
 Q    392 351 350     1.608632960001    96.00539979   247.39764980
 Q    392 351 350     0.845281018360    86.61818509   227.06190945
 Q    198 197  68     2.794995527725   142.95121955    43.22502208
 Q    395 198 197     1.512448346225    56.01746751     1.37852969
 Q    395 198 197     0.830963296422    32.10340936   348.46878193
 Q    121 120 119     2.024129442501   103.04355371    90.94847625
 Q    398 121 120     1.534731246831   131.98881560   279.75476191
 Q    399 398 121     0.836480723030    25.97429343   120.11914578
 Q    359 219 218     4.272587038318   107.97482146   190.33193899
 Q    401 359 219     1.462634609190   160.50310537    62.24867503
 Q    401 359 219     0.821583836258   144.63851645    10.75268469
 Q    377 347 222     2.250022222112    84.15207899   231.67076121
 Q    404 377 347     1.498065419132    63.55488418   272.23393530
 Q    404 377 347     0.832706430863    58.69553163   301.39608349
 Q    386 222 221     2.316333309349   102.36488843    74.85080735
 Q    407 386 222     1.444333756443   143.80774754    68.43388859
 Q    408 407 386     0.799124520960    26.44827558    55.07778599
 Q    128  88  86     2.593626804303    92.23921169   353.97805647
 Q    410 128  88     1.568311193609    66.41022639     0.08307722
 Q    410 128  88     0.847230783199    52.33854027    21.80494374
 Q    167 139 137     3.217219296225    80.02665132   318.54875411
 Q    413 167 139     1.600812293806    41.20946286   288.98559880
 Q    414 413 167     0.847230783199    21.47529183   252.70198362
 Q    355 353  37     2.215603755187   105.06942650   169.53590618
 Q    416 355 353     1.518519015357   113.77762026    98.37533158
 Q    417 416 355     0.819451035755    25.78025672   176.25106442
 Q     85  83   9     2.208076085646   137.68922256   187.85731012
 Q    419  85  83     1.585969734894    95.65705414   208.68091417
 Q    419  85  83     0.864754300365    71.24906299   208.66252250
 Q     59  57  56     2.152324325003   142.70782171   225.82529427
 Q    422  59  57     1.657407614318   133.07079485   138.32428357
 Q    423 422  59     0.872353139503    21.16660251   196.72688528
 Q    412 410 128     2.238146554630   104.08600344   107.93320293
 Q    425 412 410     1.481114445274   150.04732491   110.27587967
 Q    425 412 410     0.821522975942   165.33634317   174.90979273
 Q    280 279 278     2.109312684265   100.21878681    90.62052117
 Q    428 280 279     1.471903529447   125.30277383    93.26355256
 Q    428 280 279     0.815536633144   150.97665991    96.94749763
 Q    352 350 189     2.280285069898    91.32038395   282.25467717
 Q    431 352 350     1.556566734837   140.51988638   119.16984515
 Q    432 431 352     0.832406150866    25.79382018    96.51538251
 Q    151 149  96     2.109431202955    95.46181991    16.68984365
 Q    434 151 149     1.515090756358   121.85401517   238.71012700
 Q    434 151 149     0.833846508657   146.73344536   241.71217369
 Q    291 290 268     3.401558466350   103.29026354   323.73352321
 Q    437 291 290     1.620277753967   115.52708372    98.74985697
 Q    437 291 290     0.874642784227   125.34219515   125.04252757
 Q    115 114 113     1.949897433200    97.10520468   195.86568543
 Q    440 115 114     1.571877857850   160.95325936   214.28936738
 Q    441 440 115     0.842970936628    22.45296257   217.12889795
 Q    288 287 135     2.952981544135   133.58570180   281.00959654
 Q    443 288 287     1.621419131502   124.08770072   228.01674392
 Q    444 443 288     0.850999412456    22.02803439   324.07290842
 Q    288 287 135     2.353040586135   140.24022139    87.23643347
 Q    446 288 287     1.665502927046    69.84395940   156.71293876
 Q    446 288 287     0.868274150254    67.85937178   135.73498635
 Q    426 425 412     2.339871791360   104.48085072   340.30257620
 Q    449 426 425     1.514364553204    78.48587664   140.57397302
 Q    449 426 425     0.828975271043    59.26213485   156.96517560
 Q    172 170 144     1.970101520227    78.92411725    98.16934378
 Q    452 172 170     1.545186072937   149.53901255   279.90799735
 Q    452 172 170     0.855277732669   149.65233994   226.95558009
 Q    243 242 126     2.132815041207   178.87000557   343.76287484
 Q    455 243 244     1.464035518695    84.86820166   227.93271059
 Q    456 455 243     0.811110350076    27.59601666   314.72161498
 Q    268 266 225     2.106133898877    80.08629957    81.69146221
 Q    458 268 266     1.619413474070   174.17656862   342.39157511
 Q    458 268 266     0.856329375883   152.39948998   324.40776370
 Q    164 146  67     3.086826849695   140.77078931   263.00833791
 Q    461 164 146     1.511323922923    67.44273243    42.71257577
 Q    461 164 146     0.831083629968    86.58758806    24.45855533
 Q     89  55  53     1.846645607581    82.22739604    96.42484432
 Q    464  89  55     1.462805523643   157.46895740     6.10555927
 Q    465 464  89     0.807279381627    26.50233661   219.43487151
 Q    403 401 359     2.357859198510   116.71286842    13.67778370
 Q    467 403 401     1.525155729754   147.28646572   152.50168753
 Q    467 403 401     0.829698740508   159.88618886   101.19819527
 Q    352 350 189     1.973474094079   113.37323512     1.05141741
 Q    470 352 350     1.642132759554   140.52199759   138.14889439
 Q    471 470 352     0.869137503506    20.86995758   181.95720147
 Q    287 135 134     2.296301373949   105.48546699    52.43344056
 Q    473 287 135     1.507846145998    73.02643855   258.90711003
 Q    473 287 135     0.831203946093    64.79942620   232.68416902
 Q    182 181 179     1.954405280386   100.39835912   198.89948440
 Q    476 182 181     1.536326788154    81.12383743   193.35888208
 Q    477 476 182     0.832406150866    22.91795384   323.44590764
 Q    107  52  50     2.164162655625   131.39151746   108.49114305
 Q    479 107  52     1.544182631686    69.16915968   274.60256619
 Q    480 479 107     0.839821409587    24.95124403   274.73890068
 Q    304 303 302     1.920442657306    99.90776547   227.52180232
 Q    482 304 303     1.521216618368   172.08808796   314.26340808
 Q    483 482 304     0.825106053789    25.31845237   165.06902749
 Q    218 126 125     2.342178473131    50.64120045   308.72086266
 Q    485 218 126     1.567067324655    62.85983389   250.39030758
 Q    485 218 126     0.843682404700    56.99780673   222.77645725
 Q    263 246 245     3.494066398911    98.95326231    77.55417848
 Q    488 263 246     1.491207564358   114.02224949   145.32074793
 Q    488 263 246     0.819267965931   103.69243209   121.09236452
 Q    433 432 431     1.845806056984   104.49233744   131.45698491
 Q    491 433 432     1.467617116281   150.54563154   117.67095735
 Q    491 433 432     0.818107572389   174.33775889    63.04394802
 Q    436 434 151     2.191437884130    92.22676833   237.71915695
 Q    494 436 434     1.641767340399   139.96288751    10.57783726
 Q    494 436 434     0.880567998510   156.42119100    41.25274558
 Q    156 155 116     2.854557759093   177.34861822   264.78424351
 Q    497 156 157     1.443086968966    59.70545344   168.04420319
 Q    497 156 157     0.805357063668    41.24747854   140.05003384
 Q    129 128  88     2.784295242965   155.20771751   347.49647989
 Q    500 129 128     1.592513736204    97.92957523    39.02522310
 Q    500 129 128     0.847171765346   118.73213356    26.01401475
 Q    488 263 246     3.153046146189   144.91703774   260.20685324
 Q    503 488 263     1.603901493235    82.60390640   343.33968119
 Q    504 503 488     0.863655023722    21.98358396   307.34003001
 Q    167 139 137     2.747726332807    75.92723710    37.09972401
 Q    506 167 139     1.519243232666    48.11555036    18.37122603
 Q    507 506 167     0.836361166004    25.84942530    24.69257533
 Q    221 194 102     2.180458667345    91.75737585    86.39263549
 Q    509 221 194     1.544474020500    85.75294000   232.69329991
 Q    509 221 194     0.824196578493   102.30513720   252.57154893
 Q    316 315 314     2.128802480269   114.31675665   227.18224968
 Q    512 316 315     1.611645122228   149.90247656    19.77417336
 Q    512 316 315     0.867352292901   169.31377999    54.69565190
 Q    322 321 320     1.877391807801    92.11285875   138.30204730
 Q    515 322 321     1.557594298911   127.10958850   322.76620079
 Q    516 515 322     0.844926032266    24.42180890   184.75147644
 Q    291 290 268     1.948358283273   103.85140873    53.21333562
 Q    518 291 290     1.489227987919   108.87156478   205.67880893
 Q    518 291 290     0.813510909577   132.90740865   213.81645791
 Q    469 467 403     1.940876090841   134.95553327   225.13824782
 Q    521 469 467     1.676275633659   142.09884386   321.02171812
 Q    521 469 467     0.900777441991   164.92098683   327.06765916
 Q    334 333 332     1.910523488471    85.13446152   250.65002080
 Q    524 334 333     1.599843742370   150.16008025     6.00064362
 Q    525 524 334     0.855686858611    21.64903013   229.26375862
 Q    324 323  56     3.481508293829   106.47115250   216.00015355
 Q    527 324 323     1.499099729838    31.16301468   291.48746601
 Q    528 527 324     0.814002456999    25.78195252   246.83834672
 Q    487 485 218     2.111729149299   119.04594448   265.62782562
 Q    530 487 485     1.533394926299   131.25618003   218.11914544
 Q    530 487 485     0.833666600027   155.66005436   231.29557727
 Q    461 164 146     2.076655965730    57.68040130   176.65422255
 Q    533 461 164     1.480675521510    84.46090536   161.27235233
 Q    533 461 164     0.824439203338    71.76270015   136.18445163
 Q    269 148 146     2.365945899635   127.60781542   269.56665139
 Q    536 269 148     1.703555106241    75.18645839   334.13199048
 Q    537 536 269     0.889550448260    20.13317165   225.64838583
 Q    504 503 488     2.944027853129   157.45264122    18.43773459
 Q    539 504 503     1.473125928086    82.49576451    58.63537030
 Q    540 539 504     0.821340367935    27.80892882    12.51943868
 Q    499 497 156     2.308267748767   126.16090026   277.54096200
 Q    542 499 497     1.540422020097   125.88870223   268.00964497
 Q    542 499 497     0.839404550857   145.93560673   286.34684030
 Q    205 204 203     2.050024390099   105.44026654   202.92755993
 Q    545 205 204     1.541590088188   157.75080739   228.47526075
 Q    546 545 205     0.835583628370    25.90458795   166.94621235
 Q    145 144 143     1.920624898308   114.55681100   182.96259277
 Q    548 145 144     1.587230292050   158.41024105   349.13928185
 Q    548 145 144     0.848115558164   173.80511754    81.71524919
 Q    193 191 139     3.327236090211   112.10822484     7.57466534
 Q    551 193 191     1.528823076749    45.20002879     0.81527084
 Q    551 193 191     0.821827232452    65.10891428   341.90717128
 Q    432 431 352     2.045409494453   109.61497344   287.58627962
 Q    554 432 431     1.502364802570   131.74195606   342.10935740
 Q    555 554 432     0.830963296422    26.18402122   302.14310008
 Q    462 461 164     2.319245566989   140.42693178    97.66754801
 Q    557 462 461     1.506187239356    68.64569339   297.43966391
 Q    557 462 461     0.815414005276    58.35849678   270.84630198
 Q    209  94  92     2.284928882920    83.63076347   209.86726064
 Q    560 209  94     1.484318025222    72.96460392   134.74915933
 Q    561 560 209     0.832406150866    27.65536666    49.36881301
 Q    284 185 174     2.830794941355    67.73812905   321.75555850
 Q    563 284 185     1.484115898439   110.34427362    30.68814349
 Q    563 284 185     0.821522975942   128.03566362     7.38117332
 Q    282 281  62     1.865207763226    81.19553583    68.95121172
 Q    566 282 281     1.644323569131   167.20944496   229.58448874
 Q    567 566 282     0.879829528943    21.81739006   137.10264365
 Q    257 107  52     2.209637979398    81.03339176   167.14047311
 Q    569 257 107     1.632850268702    85.41845413   223.21077621
 Q    570 569 257     0.876983466207    22.09712409   271.99683207
 Q    145 144 143     2.207872278915    81.87199777    86.31454791
 Q    572 145 144     1.447653273405    88.00084199   325.77439147
 Q    573 572 145     0.813203541556    28.47712526   130.57052185
 Q    368 125  98     2.524381112273    61.23572289   320.80672564
 Q    575 368 125     1.544830087744    65.94638728   144.85746881
 Q    576 575 368     0.818413098624    22.73208153   141.86717851
 Q    473 287 135     2.060922123711   105.32160566    59.29717530
 Q    578 473 287     1.654267209371    79.07408933   235.70780221
 Q    578 473 287     0.879431634637    66.84800914   253.27018961
 Q    336 335 232     2.120966760701   134.90491695   288.05858720
 Q    581 336 335     1.446824108176   159.43962862   147.52512022
 Q    581 336 335     0.797872170213   168.00319164    38.37535217
 Q    356 164 146     2.407675227268   131.90959826   191.90127772
 Q    584 356 164     1.511357006137    64.02049206   249.83204795
 Q    584 356 164     0.834565755348    51.30510195   221.54306448
 Q    451 449 426     2.215694022197   117.57319649    79.88746797
 Q    587 451 449     1.584771276872   167.05290502   156.10817801
 Q    587 451 449     0.855686858611   144.60346398   164.97012980
 Q    480 479 107     2.407176769579   127.66261062   114.08795924
 Q    590 480 479     1.514727698301    68.61383968   221.94661036
 Q    590 480 479     0.841605608346    44.21965188   210.87929625
 Q    226 224  35     2.153996285976   126.72097012   220.84787550
 Q    593 226 224     1.433073619881   147.66236467   110.28320192
 Q    594 593 226     0.812711510931    28.84213099   184.98866389
 Q    367 366 365     2.002648246697    93.43745152   245.66652986
 Q    596 367 366     1.663309953075   165.46406205   133.98469432
 Q    596 367 366     0.884646822184   169.55869189   255.36952770
 Q    154 152 150     1.974183375475   133.18248545   315.77286376
 Q    599 154 152     1.538733245238   136.48904371   322.96486934
 Q    600 599 154     0.846167832052    25.14919266   171.23359053
 Q    560 209  94     2.399291562107   133.79023194   356.11408456
 Q    602 560 209     1.565279527752    79.71554913   258.04810624
 Q    602 560 209     0.840059521701    56.17743161   253.03055731
 Q    424 423 422     2.029729045957    96.99717031   242.44354980
 Q    605 424 423     1.514991749152   143.13574822   319.07615310
 Q    605 424 423     0.842911620515   167.93649033   347.29426263
 Q    540 539 504     1.994442277931   101.57452059   301.76806984
 Q    608 540 539     1.485597522884   129.73193251   248.44248335
 Q    608 540 539     0.810740402348   139.68271464   213.23780201
 Q     71  54  53     1.859247159471   120.34471577   212.66265289
 Q    611  71  54     1.564288975861   151.11627333   309.41922427
 Q    612 611  71     0.843860177992    23.28760131   157.22391943
 Q    469 467 403     2.367889355523    98.51204537   308.97424623
 Q    614 469 467     1.357571360924   131.83297611    88.30175423
 Q    614 469 467     0.770129859180   131.51501223   128.15234787

---------------------------
INTERNAL COORDINATES (A.U.)
---------------------------
 C      0   0   0     0.000000000000     0.00000000     0.00000000
 H      1   0   0     2.089750037395     0.00000000     0.00000000
 H      1   2   0     2.008273052717   105.37031833     0.00000000
 C      1   2   3     2.881383122020   113.99177222   242.49515517
 H      4   1   2     2.080587615261   105.18396589   185.29471537
 H      4   1   2     2.066119777532   103.39136671   297.39625535
 C      4   1   2     2.865911579379   113.41697388    57.59852831
 H      7   4   1     2.054246174758   102.20740107    41.76156818
 H      7   4   1     2.074399469190   115.50353707   286.57724831
 C      7   4   1     2.911773032625   114.67641250   160.15374395
 H     10   7   4     2.019974928170   107.89888413   176.80704946
 H     10   7   4     2.014398421815   114.48722366    56.56752186
 O     10   7   4     2.798836879774   105.47216350   298.75072263
 H     13  10   7     1.809110539827   107.14570156   287.38544395
 O      1   2   3     2.758870719192   116.28330315   114.93021276
 H     15   1   2     1.784866090971   104.74244377    22.12251695
 O     11  10   7     5.466177795669   128.52173840    22.48405949
 H     17  11  10     1.815121054080   118.08247088   142.08012284
 H     17  11  10     1.799213799608   121.18632401    17.42274894
 O      3   1   2     5.865004882841   171.64275956   127.07087743
 H     20   3   1     1.835857024941   132.84611288    27.78611175
 H     20   3   1     1.818953433688    47.03923147   329.52860664
 O     16  15   1     5.779133508979   112.53485796   246.82973632
 H     23  16  15     1.798816797441    62.00138876   115.71594049
 H     23  16  15     1.877402731975    51.41441647   256.54063972
 O     22  20   3     3.696045389349   157.49936697   132.85352831
 H     26  22  20     1.892086817083   108.43584871   205.22712422
 H     26  22  20     1.783665239014    88.63427415   307.45765896
 O     13  10   7     5.350027950926   117.44823420   131.45466476
 H     29  13  10     1.811477711974   110.21126367   332.85248725
 H     29  13  10     1.890292966749     2.34029035   342.72490891
 O     14  13  10     4.207134771393   146.02090668   234.25491136
 H     32  14  13     1.926964774640    92.54233141    85.71683187
 H     32  14  13     1.865189370494    62.43684716   185.66851900
 O     29  13  10     5.750390360270    89.40807767   196.65927621
 H     35  29  13     1.875404431535    23.78114947   171.62587915
 H     35  29  13     1.879493910797   129.04782451   196.15559247
 O     22  20   3     5.104709618809   119.22024696   263.08087789
 H     38  22  20     1.846331096127    75.17729511   324.75978719
 H     38  22  20     1.816104486484    85.08996886   205.12755014
 O     19  17  11     4.241498621700   177.17380804   291.62505643
 H     41  19  17     1.803179013893    82.06397434   232.70619422
 H     41  19  17     1.897081750253   160.72224923   109.45185618
 O     42  41  19     4.178901935241   143.62254719   324.70988712
 H     44  42  41     1.921025358393    79.00363081   247.94415495
 H     44  42  41     1.698021722168   118.90646231   346.34490169
 O     28  26  22     4.387991285173   131.90739427   227.39896149
 H     47  28  26     1.830792582120    76.81570400    45.92747538
 H     47  28  26     1.803971010863   131.64863258   146.15010406
 O     28  26  22     4.222766306350   127.29878052    68.40929854
 H     50  28  26     1.804069986037   112.64310202    56.06462805
 H     50  28  26     1.819051593664   110.49991840   177.04287281
 O     24  23  16     3.863739062859   163.51079806   299.51306810
 H     53  24  23     1.906564166830   154.83290107   318.15839645
 H     53  24  23     1.848650608469    80.23622914   193.55406024
 O     26  22  20     5.081149942059   119.12832879    80.10265272
 H     56  26  22     1.765958930244   114.87619565   144.41941785
 H     56  26  22     1.835370666539    12.76936176   196.53541606
 O     57  56  26     3.585005221133   158.97290964   241.96212667
 H     59  57  56     1.838189753995   117.62275728    14.16621241
 H     59  57  56     1.834981487004    97.87196816   121.05806712
 O     11  10   7     6.329341412794   125.66469882   189.28749633
 H     62  11  10     1.760389186109    56.49344629   242.63253116
 H     62  11  10     1.828743350647    67.94653959   114.25267324
 O     17  11  10     5.146477530236    76.02753410   239.27936281
 H     65  17  11     1.910119621572     6.42484157    85.04328456
 H     65  17  11     1.768787699222   109.08540989    26.70172212
 O     34  32  14     3.596690487071   177.97445413   140.32843546
 H     68  34  32     1.730828215648   129.56211455   111.36696272
 H     68  34  32     1.820229100483   121.87492707   297.16533947
 O     54  53  24     3.627782027570   146.08911977    29.68339910
 H     71  54  53     1.841586353855   148.80321778    72.49217655
 H     71  54  53     1.880063828608    77.96305602   342.13668286
 O     29  13  10     5.214719725138    86.25559354    64.86335505
 H     74  29  13     1.814235509131   116.22000689   347.57783417
 H     74  29  13     1.882341774309     7.32418908   280.25436425
 O     21  20   3     5.312282001723   160.33991732   124.48363802
 H     77  21  20     1.798816797441    53.96972041   235.76706304
 H     77  21  20     1.838092616057   104.50819630   128.54164102
 O     16  15   1     3.380075119064   145.30978454    64.39718440
 H     80  16  15     1.799709929164   151.94537791   202.91017615
 H     80  16  15     1.835370666539    95.43028244    57.35378182
 O      9   7   4     4.943286622521   161.96329513    42.83477110
 H     83   9   7     1.838966672776    68.83271331   307.91254412
 H     83   9   7     1.829914621060    69.08658205   202.18099984
 O     30  29  13     3.919485160899   175.57770428    69.98302946
 H     86  30  29     1.937959987861   105.32879169   337.02619776
 H     86  30  29     1.877022267339   122.99194435    94.17080257
 O     55  53  24     3.825703769731   143.07822186    26.27108992
 H     89  55  53     1.818266165478   115.40223985   313.33125778
 H     89  55  53     1.796830470866   129.04927960   174.59410588
 O     43  41  19     3.260256824153   164.99314922   345.75340623
 H     92  43  41     1.846331096127   109.44315670   349.34230675
 H     92  43  41     1.874642613922   130.17853617   209.89801584
 O     18  17  11     3.849711194437   159.30555884     7.70033238
 H     95  18  17     1.829914621060    91.77779838   109.15630246
 H     95  18  17     1.817676871615   134.72025460   225.69199789
 O     84  83   9     3.571832348139   153.18008579   149.98380629
 H     98  84  83     1.803674052753    95.01803395   330.74007149
 H     98  84  83     1.817578637396   134.32213123   217.40997961
 O     25  23  16     4.289012289517   114.16619709   192.83645575
 H    101  25  23     1.845460527389   100.94405134   166.19976545
 H    101  25  23     1.785866184113   136.86755419   291.02327220
 Q     62  11  10     9.748258085556   147.77987532    31.19187696
 Q    104  62  11     2.954083817595    63.15533222   268.50335859
 Q    105 104  62     1.623515621751    25.49875971     0.10599847
 Q     52  50  28     4.614222123946   156.24589042   185.76853525
 Q    107  52  50     2.926880164201    69.36789572   219.20136209
 Q    108 107  52     1.587819823539    24.13834355    34.26462790
 Q    105 104  62     4.418323570131   168.11438382   248.45019425
 Q    110 105 106     2.969035804758    74.62280256   259.98129396
 Q    110 105 106     1.590291839481    60.38591835   239.77921424
 Q     99  98  84     4.759522029278   108.49544045   153.88140056
 Q    113  99  98     2.910607697764    56.79721125   260.16904048
 Q    114 113  99     1.577213930426    25.96048322   269.16451778
 Q     46  44  42     4.012810196388   131.30284370   288.27172762
 Q    116  46  44     2.968795241169    87.96264025   264.83409882
 Q    116  46  44     1.629224512260    81.93655950   240.59353055
 Q     45  44  42     7.526758078446   135.60464849   277.14180529
 Q    119  45  44     3.138880047425    55.39855738    12.34800490
 Q    120 119  45     1.670778681340    20.95991835   274.78647448
 Q     79  77  21     6.642488163283   116.77831603   305.85444117
 Q    122  79  77     2.896772032954   115.52946289   145.53234681
 Q    122  79  77     1.577213930426    97.03670522   129.88946073
 Q     98  84  83    11.707856177464    99.33103327   111.20706064
 Q    125  98  84     2.837548227362   139.62672142    70.80763287
 Q    125  98  84     1.533940884474   126.55799633    41.20290775
 Q     88  86  30    10.810175004375   107.47121334   132.49140435
 Q    128  88  86     3.027161961374    84.63001879   231.08008311
 Q    128  88  86     1.616019719253    78.90008400   207.87836088
 Q    103 101  25     4.390350748511   149.02107078   312.75033509
 Q    131 103 101     2.987321724924    81.16319262   197.52665035
 Q    131 103 101     1.574494594040    58.87456036   197.78820469
 Q    111 110 105     7.167245699865    84.02397854   159.17935646
 Q    134 111 110     2.897758084224   107.99885121     3.75459740
 Q    134 111 110     1.610374894930    97.65074649    29.04882422
 Q     44  42  41     6.608153700999   108.66260862   139.58487990
 Q    137  44  42     2.742512864275    67.37280513   270.58167573
 Q    137  44  42     1.560826847644    87.67242878   291.69854879
 Q     38  22  20     4.016279370033   158.21462805   262.34512032
 Q    140  38  22     2.984630847580   128.81222888   193.94810688
 Q    141 140  38     1.605488902743    23.97167204   196.59816091
 Q    136 134 111     3.986605594347   123.80430041    15.02723596
 Q    143 136 134     2.971680718941   116.12909652   225.96144988
 Q    144 143 136     1.597573177140    24.12619220   204.16812767
 Q     67  65  17     4.465955032961    86.34796086   236.65971140
 Q    146  67  65     3.034702484695    88.46143346   167.49043392
 Q    146  67  65     1.604710214160    97.55628740   146.48014248
 Q     96  95  18     5.747812580203   103.29250247   232.99854890
 Q    149  96  95     2.924744222762   130.28915101   234.48783436
 Q    149  96  95     1.593432495066   131.87305646   266.47417595
 Q    150 149  96     5.455878586510   101.65102324   334.61016216
 Q    152 150 149     2.927734104457   137.88174568    51.34521982
 Q    152 150 149     1.582300089808   124.70289925    22.56022792
 Q    116  46  44     5.660668246751   155.99177413    50.01313217
 Q    155 116  46     3.015342143632   150.01923104   160.69099522
 Q    156 155 116     1.627360347644    24.47887809    68.03269357
 Q    105 104  62     5.323563453662    88.56218509   111.17364724
 Q    158 105 104     2.975583676679    71.26578522   278.14444528
 Q    159 158 105     1.629224512260    25.07547294   219.93496870
 Q    159 158 105     6.837101231253   102.31302438   157.15603230
 Q    161 159 158     2.904589598316    13.84976819   327.50048804
 Q    161 159 158     1.552223393030    30.88684454   267.39325648
 Q    146  67  65     4.623384047029    90.63421265   318.94293829
 Q    164 146  67     2.961569247148    80.37481877    23.15412086
 Q    165 164 146     1.587707367728    24.48608920   144.19239404
 Q    139 137  44     5.355898600352   147.26730657   184.11935440
 Q    167 139 137     2.979061998871   142.97632138   254.01915124
 Q    167 139 137     1.624944724718   130.02648610   223.23113802
 Q    144 143 136     4.347971971947   143.36164782   275.53817815
 Q    170 144 143     2.808262744034    95.66975852   238.78809289
 Q    170 144 143     1.543340617763   121.77113602   245.43386511
 Q    141 140  38     5.023793477713   123.41543562   176.81455196
 Q    173 141 140     2.782649805239    69.79096246   181.21181518
 Q    173 141 140     1.507641464066    84.71666189   204.07539206
 Q     74  29  13     3.354197347398    99.74074551   158.71291289
 Q    176  74  29     2.689857712841   116.36017994   110.11147511
 Q    177 176  74     1.534057281703    30.54099032   199.21449697
 Q    107  52  50     9.666794250193    87.25356149   103.76332399
 Q    179 107  52     2.951181134739    63.08313046    27.26119016
 Q    179 107  52     1.599695308349    74.62536462    49.82153108
 Q    181 179 107     6.481540259378   109.30544603   189.89289018
 Q    182 181 179     3.086391990224    19.73873670    40.12404180
 Q    183 182 181     1.636987193555    21.58443963   171.12800679
 Q    174 173 141     8.317156811482   135.51124030   305.75665301
 Q    185 174 173     2.757576021707   100.44094846    80.55554280
 Q    186 185 174     1.552223393030    28.23578090    15.42992745
 Q    114 113  99     8.553865749537   104.19874878   176.77203209
 Q    188 114 113     2.956319357133     9.61370546   238.13810297
 Q    188 114 113     1.598690439447    19.56433061   347.10667752
 Q    139 137  44     4.842642144911    85.41491639    50.56888314
 Q    191 139 137     2.826135819209   150.63374967   104.52684731
 Q    191 139 137     1.586807434331   139.38256544    59.39788783
 Q    102 101  25    11.134785305985   110.58632668   233.99094982
 Q    194 102 101     2.849729566277    92.01094482   249.29055611
 Q    195 194 102     1.536848170515    23.20472703   219.76549390
 Q     68  34  32     4.119906357175    72.26631533    43.93312915
 Q    197  68  34     3.010008082948   148.62668686   177.71390786
 Q    198 197  68     1.602037551296    22.41669638   210.09017459
 Q     76  74  75     3.900991643111    80.68581822   242.12699165
 Q    200  76  74     2.947609337643   151.14275672   110.36722913
 Q    201 200  76     1.589730355214    25.54666230   207.75304093
 Q    135 134 111     9.681061635448    84.50542053   222.79435735
 Q    203 135 134     3.005139918132    70.21306873   131.73897801
 Q    204 203 135     1.610707491036    23.93398131   325.61433791
 Q    151 149  96     3.886684779597   120.35036235   118.06784464
 Q    206 151 149     2.941788331048   144.23804400   290.30309582
 Q    206 151 149     1.590179558488   154.63677592   247.93415723
 Q     94  92  43     4.240488179704   165.10902794   150.49622672
 Q    209  94  92     3.004189112518    84.21457613    27.89277331
 Q    210 209  94     1.591638593574    22.62890339   306.46059796
 Q     47  28  26     4.128305590699    73.58275912   243.06233362
 Q    212  47  28     2.885965103018   121.68322010    73.05616422
 Q    212  47  28     1.568017269342   134.40987359   100.73725510
 Q     88  86  30     4.499374034050   161.92094158    23.48881365
 Q    215  88  86     2.767400531434    56.08500598   134.68853552
 Q    215  88  86     1.579363417826    45.43763689    97.52634720
 Q    126 125  98     6.141115679290   116.95605011     6.16670075
 Q    218 126 125     2.780210404290    78.38987361    87.13039815
 Q    218 126 125     1.569951899651    89.34210288   113.04765794
 Q    194 102 101     6.070316876698   111.08061657    90.32950796
 Q    221 194 102     3.082339706017    68.66682260   330.89707472
 Q    222 221 194     1.647208269029    22.25123139   185.99488234
 Q     35  29  13     3.577227113801    84.38209059    89.31005823
 Q    224  35  29     2.933887308929   120.81660614   154.03677422
 Q    224  35  29     1.610042230118   145.51457666   152.74635403
 Q    122  79  77     5.165938909281    54.96904578   323.17883503
 Q    227 122  79     2.900283310405    71.72704352   312.18301809
 Q    227 122  79     1.577779868917    48.83716322   296.11045078
 Q    132 131 103     5.380445558131   108.87402763    71.52943533
 Q    230 132 131     2.740233217027   166.16088881    15.96896272
 Q    231 230 132     1.514023293883    28.61230079   312.50883771
 Q    161 159 158     4.945922705206   136.75245217    55.39356252
 Q    233 161 159     2.897203471679    81.90986242   228.55109285
 Q    233 161 159     1.568358848099    69.64951830   250.44524369
 Q    169 167 139     4.358595054458   103.01350963     2.99088931
 Q    236 169 167     2.938873504144   132.17515848   181.37006012
 Q    236 169 167     1.612037189246   141.42924071   146.82393217
 Q    163 161 159     6.502140946799   122.49636988   206.77827697
 Q    239 163 161     2.965726344961    25.44115948   106.13573874
 Q    240 239 163     1.613919053044    24.62933464   108.70164819
 Q    126 125  98     7.144914318391   130.23088867   281.82535125
 Q    242 126 125     3.133414388403    34.09079779   163.34587623
 Q    243 242 126     1.667890741894    23.62749437   217.99651015
 Q    147 146  67     4.310481466490   153.41252225    45.64912355
 Q    245 147 146     2.887944248664    71.21026042    74.88181114
 Q    245 147 146     1.558995428008    48.03147008    66.80533612
 Q    142 141 140     3.683851338698   103.06523161   240.57287320
 Q    248 142 141     2.826388525055   153.40676912   199.43409571
 Q    249 248 142     1.564483255226    27.76268088   188.39412261
 Q    174 173 141     5.355265146938    89.95194385   279.47857802
 Q    251 174 173     2.986783743398    52.34795565   301.09633395
 Q    251 174 173     1.608155829669    43.93786293   271.63156625
 Q    124 122  79     3.795763202453    82.15243055    30.84976501
 Q    254 124 122     2.849792221794   151.66172827    75.38482543
 Q    254 124 122     1.556703123536   177.36168895    25.38808649
 Q    107  52  50     5.980438362789   142.50043821   338.57743626
 Q    257 107  52     3.049786146199    73.54323776   341.55385418
 Q    257 107  52     1.644061736511    95.82848504   337.07031699
 Q    159 158 105     4.825392648754   164.12490716   357.76418153
 Q    260 159 158     2.798390275530    73.26996433   248.33319369
 Q    261 260 159     1.576194729072    28.03698212   309.31581065
 Q    246 245 147     4.551102427060   155.29735784   195.57572948
 Q    263 246 245     2.842389336814    74.69125984   315.12948939
 Q    263 246 245     1.556129519801    48.90003378   328.50480743
 Q    225 224  35     9.124031446236   110.28331919   254.68425026
 Q    266 225 224     2.857425886826    59.75997943   225.88415947
 Q    266 225 224     1.595783930405    52.49731509   257.14259203
 Q    148 146  67     7.473693652665    85.72924768   178.98776982
 Q    269 148 146     3.040404331625    27.84975328   170.99916136
 Q    269 148 146     1.622745583469     5.52170671   210.40461650
 Q    204 203 135     5.160371175619   170.13715272    95.08937327
 Q    272 204 205     2.787970548077    84.98614584   155.18291638
 Q    273 272 204     1.551302874999    26.27354069     9.59714240
 Q    249 248 142     8.213898491163   148.09988775   290.35367222
 Q    275 249 248     2.959458342103    83.54310617     3.61662299
 Q    276 275 249     1.614693300655    25.96291096   222.02433421
 Q     32  14  13     3.913010964139   103.48747141   315.55104138
 Q    278  32  14     2.776611591292   126.26282609   338.54859487
 Q    279 278  32     1.512961524972    25.97972793   157.04825013
 Q     62  11  10     3.719353580854   178.75039733   204.72321378
 Q    281  62  63     2.894552189442   143.02573429   127.11858151
 Q    281  62  63     1.560483620186   157.39287354    76.04282723
 Q    185 174 173     5.244934799591    97.97067065   269.06455099
 Q    284 185 174     2.907600205060    62.85020832   163.79985583
 Q    285 284 185     1.576194729072    25.55567136   328.40752009
 Q    135 134 111     3.944053566509   123.25921644   270.80134180
 Q    287 135 134     2.884851236907    79.21515955   224.49061815
 Q    287 135 134     1.559567977672    68.31698077   202.07968045
 Q    268 266 225     3.879327459518   103.13026694   159.59901510
 Q    290 268 266     2.752066762303   155.56714721   151.50023443
 Q    291 290 268     1.527759141127    27.55764814    79.47393568
 Q    208 206 151     4.105318576256    93.55961162   212.38686962
 Q    293 208 206     2.781494566208    93.74937888   282.10253216
 Q    293 208 206     1.523663107869   119.57386387   270.52442001
 Q    292 291 290     7.224712419473   100.50636483   229.29691647
 Q    296 292 291     2.772428539620   115.78186396   149.75035409
 Q    296 292 291     1.539634000300   140.54593166   134.85321889
 Q     36  35  29     6.366610465061   125.45793642   204.45494578
 Q    299  36  35     2.852046903699    62.39277107   244.41104638
 Q    300 299  36     1.567561715215    26.98859203    80.53853026
 Q     51  50  28     4.794693645127   171.15025299   320.74914972
 Q    302  51  50     2.827335970813    76.65498248   296.15362914
 Q    303 302  51     1.532659931529    25.15243757   335.13659947
 Q    181 179 107     4.129646153276    89.16991944   112.78470109
 Q    305 181 179     2.865475429211   143.14302972   342.35041349
 Q    305 181 179     1.544150254295   166.31627639   313.32492764
 Q    250 249 248     4.146990976441   129.31532022   195.21774741
 Q    308 250 249     2.887511426469   152.06203901   151.48371777
 Q    308 250 249     1.579024219608   173.20435867   220.32454069
 Q    166 165 164     3.704923631275    90.48001501   278.62035239
 Q    311 166 165     3.021494219376   130.81419816   132.47651901
 Q    311 166 165     1.623295648087   146.39022248   158.18045007
 Q    160 159 158     3.689275892648   127.17715932   197.27506572
 Q    314 160 159     3.026631061430   126.39740384   110.89666555
 Q    315 314 160     1.646557755635    24.24899355   180.48857062
 Q    301 300 299     5.012086678498    95.40394573   132.14518029
 Q    317 301 300     2.877600597756   174.99643628   218.78723104
 Q    317 301 300     1.573133163095   153.14987689   287.99439364
 Q    113  99  98     4.095128532146   157.62018155   343.42916573
 Q    320 113  99     2.983673506359    94.74107325   248.02749511
 Q    321 320 113     1.610818341144    23.27856508   249.51979275
 Q     56  26  22     3.499056426626    96.75831548   240.06141243
 Q    323  56  26     3.132502518063   133.54138320   262.84237332
 Q    323  56  26     1.657581763964   152.05670711   275.68370863
 Q    241 240 239     3.709402919175   105.22321890   230.77804183
 Q    326 241 240     2.978102867488   148.62012198    88.87113881
 Q    327 326 241     1.611040018478    23.16625676   160.57139953
 Q     86  30  29     4.257633080545   103.73591692   222.32586281
 Q    329  86  30     2.886892996480   139.93358910   286.65977488
 Q    329  86  30     1.587819823539   162.98211578   260.08513926
 Q    157 156 155     4.372215377657   129.28587922   179.84479446
 Q    332 157 156     2.994008519468   154.71848350    46.40746124
 Q    333 332 157     1.601145672284    22.92315836   170.38664414
 Q    232 231 230     3.908262495140   114.39970417   196.67469779
 Q    335 232 231     2.899729180844   137.76050396   258.62753908
 Q    335 232 231     1.570179346505   162.35547680   270.02074599
 Q    184 183 182     3.649129178451    93.13905272   258.19044604
 Q    338 184 183     2.884789342846   152.48416753    68.27283192
 Q    338 184 183     1.527525377964   175.49735549    11.29521572
 Q    300 299  36     4.097351598971   130.36582189   199.88435508
 Q    341 300 299     2.802088562193    92.44936948   130.34481187
 Q    341 300 299     1.565852206856    65.62072013   137.37890601
 Q    276 275 249     5.401907015769    99.97300518    56.80948780
 Q    344 276 275     2.903421380270   149.25541470   261.22777070
 Q    345 344 276     1.581622880237    24.46139434   142.66472499
 Q    222 221 194     6.783300873239   145.22238643   284.90638464
 Q    347 222 221     2.860298864991    33.95881440   221.97852389
 Q    347 222 221     1.568131137195    26.40217167   276.20662714
 Q    189 188 190     7.374315752205    87.52902807   194.01476940
 Q    350 189 188     2.840001249219   103.64093794   187.48637170
 Q    350 189 188     1.546461165876    79.00626978   184.46231154
 Q     37  35  29     4.299407289518   163.02128970   324.27317487
 Q    353  37  35     2.969396613599    61.80146761   100.44151259
 Q    353  37  35     1.615688216691    65.22355370   128.85193277
 Q    164 146  67     4.834228238802    64.57576454   249.79708136
 Q    356 164 146     3.078398093527    66.51206541   295.84667146
 Q    356 164 146     1.648941716780    43.95624367   288.21262850
 Q    219 218 126     4.836406925343   135.27203882    47.46159910
 Q    359 219 218     2.817340211449   146.61754739    36.70496204
 Q    360 359 219     1.555670484535    26.54957761    56.86543001
 Q    344 276 275     3.825563751171    60.63298932   142.74881377
 Q    362 344 276     2.822089448176    64.94068660    74.05181555
 Q    363 362 344     1.534406420413    26.78315362   280.41801642
 Q    317 301 300     4.589428588014    92.68725797   144.91009498
 Q    365 317 301     3.015815825785    52.90068316     8.64568354
 Q    366 365 317     1.587932271387    21.51392383   238.26457117
 Q    125  98  84     5.377258798062    39.53970336     2.27794611
 Q    368 125  98     2.972942234812   138.23633446    55.18063303
 Q    369 368 125     1.584893379185    22.78214264   356.66894055
 Q     83   9   7     3.397567830656   141.56068380    27.36071458
 Q    371  83   9     3.001394379105   168.57595060   182.71541051
 Q    371  83   9     1.609709496557   167.92176822    36.20822280
 Q    220 218 126     4.072436546897   115.93426151   169.36007495
 Q    374 220 218     2.897203471679   154.43115758   124.06535323
 Q    374 220 218     1.585906990262   164.90964317    55.18106182
 Q    347 222 221     4.782612742959   111.24170768   143.14838169
 Q    377 347 222     2.763009674309   132.64379240    15.15020838
 Q    377 347 222     1.551878262755   113.08124150    37.89987491
 Q    309 308 250     4.650454376302   145.38842027   336.58125961
 Q    380 309 308     2.914714961168    57.06288683   323.81047137
 Q    380 309 308     1.579815568828    44.26076494   298.78686291
 Q    258 257 107     3.934898095923   157.36644792   275.47036161
 Q    383 258 257     3.052010089108    98.80887426   141.22504195
 Q    384 383 258     1.667034095334    24.03517830    55.68497850
 Q    222 221 194     5.120041995899   135.79881941    75.18668904
 Q    386 222 221     2.901637403831    94.93102802   193.21649618
 Q    387 386 222     1.587032465522    24.05931698   356.41338622
 Q     95  18  17     3.394202755994    91.61932043   330.68992895
 Q    389  95  18     2.808580632982   145.41710976   195.93245477
 Q    390 389  95     1.567106028661    27.61479158   172.15553227
 Q    351 350 189     3.949030292232   102.51405064   218.69926979
 Q    392 351 350     3.039875744400    96.00539979   247.39764980
 Q    392 351 350     1.597349630903    86.61818509   227.06190945
 Q    198 197  68     5.281776092934   142.95121955    43.22502208
 Q    395 198 197     2.858113166068    56.01746751     1.37852969
 Q    395 198 197     1.570293057577    32.10340936   348.46878193
 Q    121 120 119     3.825050305934   103.04355371    90.94847625
 Q    398 121 120     2.900221745682   131.98881560   279.75476191
 Q    399 398 121     1.580719482830    25.97429343   120.11914578
 Q    359 219 218     8.074019385762   107.97482146   190.33193899
 Q    401 359 219     2.763978845364   160.50310537    62.24867503
 Q    401 359 219     1.552568446584   144.63851645    10.75268469
 Q    377 347 222     4.251925795030    84.15207899   231.67076121
 Q    404 377 347     2.830933372858    63.55488418   272.23393530
 Q    404 377 347     1.573587104285    58.69553163   301.39608349
 Q    386 222 221     4.377235589549   102.36488843    74.85080735
 Q    407 386 222     2.729395245655   143.80774754    68.43388859
 Q    408 407 386     1.510126491516    26.44827558    55.07778599
 Q    128  88  86     4.901244353730    92.23921169   353.97805647
 Q    410 128  88     2.963678648685    66.41022639     0.08307722
 Q    410 128  88     1.601034152474    52.33854027    21.80494374
 Q    167 139 137     6.079663382631    80.02665132   318.54875411
 Q    413 167 139     3.025096827107    41.20946286   288.98559880
 Q    414 413 167     1.601034152474    21.47529183   252.70198362
 Q    355 353  37     4.186884318591   105.06942650   169.53590618
 Q    416 355 353     2.869585068176   113.77762026    98.37533158
 Q    417 416 355     1.548538037735    25.78025672   176.25106442
 Q     85  83   9     4.172659084731   137.68922256   187.85731012
 Q    419  85  83     2.997048455638    95.65705414   208.68091417
 Q    419  85  83     1.634148800821    71.24906299   208.66252250
 Q     59  57  56     4.067303525633   142.70782171   225.82529427
 Q    422  59  57     3.132046483337   133.07079485   138.32428357
 Q    423 422  59     1.648508525726    21.16660251   196.72688528
 Q    412 410 128     4.229484035829   104.08600344   107.93320293
 Q    425 412 410     2.798900674563   150.04732491   110.27587967
 Q    425 412 410     1.552453437254   165.33634317   174.90979273
 Q    280 279 278     3.986023304067   100.21878681    90.62052117
 Q    428 280 279     2.781494566208   125.30277383    93.26355256
 Q    428 280 279     1.541140888823   150.97665991    96.94749763
 Q    352 350 189     4.309114289377    91.32038395   282.25467717
 Q    431 352 350     2.941484838013   140.51988638   119.16984515
 Q    432 431 352     1.573019657329    25.79382018    96.51538251
 Q    151 149  96     3.986247271933    95.46181991    16.68984365
 Q    434 151 149     2.863106597551   121.85401517   238.71012700
 Q    434 151 149     1.575741539089   146.73344536   241.71217369
 Q    291 290 268     6.428013929923   103.29026354   323.73352321
 Q    437 291 290     3.061881215882   115.52708372    98.74985697
 Q    437 291 290     1.652835327199   125.34219515   125.04252757
 Q    115 114 113     3.684772137984    97.10520468   195.86568543
 Q    440 115 114     2.970418667312   160.95325936   214.28936738
 Q    441 440 115     1.592984209083    22.45296257   217.12889795
 Q    288 287 135     5.580326396938   133.58570180   281.00959654
 Q    443 288 287     3.064038106839   124.08770072   228.01674392
 Q    444 443 288     1.608155829669    22.02803439   324.07290842
 Q    288 287 135     4.446602289797   140.24022139    87.23643347
 Q    446 288 287     3.147344407362    69.84395940   156.71293876
 Q    446 288 287     1.640800353144    67.85937178   135.73498635
 Q    426 425 412     4.421716874157   104.48085072   340.30257620
 Q    449 426 425     2.861734272473    78.48587664   140.57397302
 Q    449 426 425     1.566536234063    59.26213485   156.96517560
 Q    172 170 144     3.722952329251    78.92411725    98.16934378
 Q    452 172 170     2.919978503801   149.53901255   279.90799735
 Q    452 172 170     1.616240683186   149.65233994   226.95558009
 Q    243 242 126     4.030436322190   178.87000557   343.76287484
 Q    455 243 244     2.766626180667    84.86820166   227.93271059
 Q    456 455 243     1.532776426032    27.59601666   314.72161498
 Q    268 266 225     3.980016270246    80.08629957    81.69146221
 Q    458 268 266     3.060247963575   174.17656862   342.39157511
 Q    458 268 266     1.618228000850   152.39948998   324.40776370
 Q    164 146  67     5.833257368759   140.77078931   263.00833791
 Q    461 164 146     2.855988313968    67.44273243    42.71257577
 Q    461 164 146     1.570520455024    86.58758806    24.45855533
 Q     89  55  53     3.489654464738    82.22739604    96.42484432
 Q    464  89  55     2.764301826872   157.46895740     6.10555927
 Q    465 464  89     1.525536944836    26.50233661   219.43487151
 Q    403 401 359     4.455708147532   116.71286842    13.67778370
 Q    467 403 401     2.882126640815   147.28646572   152.50168753
 Q    467 403 401     1.567903393219   159.88618886   101.19819527
 Q    352 350 189     3.729325570197   113.37323512     1.05141741
 Q    470 352 350     3.103181191097   140.52199759   138.14889439
 Q    471 470 352     1.642431854346    20.86995758   181.95720147
 Q    287 135 134     4.339380717711   105.48546699    52.43344056
 Q    473 287 135     2.849416268024    73.02643855   258.90711003
 Q    473 287 135     1.570747819550    64.79942620   232.68416902
 Q    182 181 179     3.693290734619   100.39835912   198.89948440
 Q    476 182 181     2.903236881818    81.12383743   193.35888208
 Q    477 476 182     1.573019657329    22.91795384   323.44590764
 Q    107  52  50     4.089674728390   131.39151746   108.49114305
 Q    479 107  52     2.918082274644    69.16915968   274.60256619
 Q    480 479 107     1.587032465522    24.95124403   274.73890068
 Q    304 303 302     3.629110678208    99.90776547   227.52180232
 Q    482 304 303     2.874682799086   172.08808796   314.26340808
 Q    483 482 304     1.559224473103    25.31845237   165.06902749
 Q    218 126 125     4.426075870984    50.64120045   308.72086266
 Q    485 218 126     2.961328077014    62.85983389   250.39030758
 Q    485 218 126     1.594328688891    56.99780673   222.77645725
 Q    263 246 245     6.602828587679    98.95326231    77.55417848
 Q    488 263 246     2.817973905469   114.02224949   145.32074793
 Q    488 263 246     1.548192085903   103.69243209   121.09236452
 Q    433 432 431     3.488067944033   104.49233744   131.45698491
 Q    491 433 432     2.773394419226   150.54563154   117.67095735
 Q    491 433 432     1.545999259902   174.33775889    63.04394802
 Q    436 434 151     4.141217440505    92.22676833   237.71915695
 Q    494 436 434     3.102490648970   139.96288751    10.57783726
 Q    494 436 434     1.664032359479   156.42119100    41.25274558
 Q    156 155 116     5.394332398146   177.34861822   264.78424351
 Q    497 156 157     2.727039158777    59.70545344   168.04420319
 Q    497 156 157     1.521904290352    41.24747854   140.05003384
 Q    129 128  88     5.261555485184   155.20771751   347.49647989
 Q    500 129 128     3.009414825934    97.92957523    39.02522310
 Q    500 129 128     1.600922624895   118.73213356    26.01401475
 Q    488 263 246     5.958393703914   144.91703774   260.20685324
 Q    503 488 263     3.030934568001    82.60390640   343.33968119
 Q    504 503 488     1.632071469020    21.98358396   307.34003001
 Q    167 139 137     5.192450259969    75.92723710    37.09972401
 Q    506 167 139     2.870953640551    48.11555036    18.37122603
 Q    507 506 167     1.580493552795    25.84942530    24.69257533
 Q    221 194 102     4.120469727617    91.75737585    86.39263549
 Q    509 221 194     2.918632919702    85.75294000   232.69329991
 Q    509 221 194     1.557505813867   102.30513720   252.57154893
 Q    316 315 314     4.022853680921   114.31675665   227.18224968
 Q    512 316 315     3.045567906080   149.90247656    19.77417336
 Q    512 316 315     1.639058295211   169.31377999    54.69565190
 Q    322 321 320     3.547756362812    92.11285875   138.30204730
 Q    515 322 321     2.943426652699   127.10958850   322.76620079
 Q    516 515 322     1.596678804403    24.42180890   184.75147644
 Q    291 290 268     3.681863566144   103.85140873    53.21333562
 Q    518 291 290     2.814233048137   108.87156478   205.67880893
 Q    518 291 290     1.537312826057   132.90740865   213.81645791
 Q    469 467 403     3.667724271566   134.95553327   225.13824782
 Q    521 469 467     3.167701872581   142.09884386   321.02171812
 Q    521 469 467     1.702222672977   164.92098683   327.06765916
 Q    334 333 332     3.610366165634    85.13446152   250.65002080
 Q    524 334 333     3.023266530147   150.16008025     6.00064362
 Q    525 524 334     1.617013819171    21.64903013   229.26375862
 Q    324 323  56     6.579097208312   106.47115250   216.00015355
 Q    527 324 323     2.832887936829    31.16301468   291.48746601
 Q    528 527 324     1.538241716067    25.78195252   246.83834672
 Q    487 485 218     3.990589761194   119.04594448   265.62782562
 Q    530 487 485     2.897696465850   131.25618003   218.11914544
 Q    530 487 485     1.575401561048   155.66005436   231.29557727
 Q    461 164 146     3.924311049603    57.68040130   176.65422255
 Q    533 461 164     2.798071228856    84.46090536   161.27235233
 Q    533 461 164     1.557964308376    71.76270015   136.18445163
 Q    269 148 146     4.470989797984   127.60781542   269.56665139
 Q    536 269 148     3.219252604839    75.18645839   334.13199048
 Q    537 536 269     1.681006729519    20.13317165   225.64838583
 Q    504 503 488     5.563406373050   157.45264122    18.43773459
 Q    539 504 503     2.783804564862    82.49576451    58.63537030
 Q    540 539 504     1.552108358132    27.80892882    12.51943868
 Q    499 497 156     4.361993888933   126.16090026   277.54096200
 Q    542 499 497     2.910975748645   125.88870223   268.00964497
 Q    542 499 497     1.586244716688   145.93560673   286.34684030
 Q    205 204 203     3.873984665146   105.44026654   202.92755993
 Q    545 205 204     2.913183077443   157.75080739   228.47526075
 Q    546 545 205     1.579024219608    25.90458795   166.94621235
 Q    145 144 143     3.629455063792   114.55681100   182.96259277
 Q    548 145 144     2.999430563438   158.41024105   349.13928185
 Q    548 145 144     1.602706134848   173.80511754    81.71524919
 Q    193 191 139     6.287564993397   112.10822484     7.57466534
 Q    551 193 191     2.889056922274    45.20002879     0.81527084
 Q    551 193 191     1.553028398733    65.10891428   341.90717128
 Q    432 431 352     3.865263776239   109.61497344   287.58627962
 Q    554 432 431     2.839058030099   131.74195606   342.10935740
 Q    555 554 432     1.570293057577    26.18402122   302.14310008
 Q    462 461 164     4.382738958921   140.42693178    97.66754801
 Q    557 462 461     2.846281388790    68.64569339   297.43966391
 Q    557 462 461     1.540909155735    58.35849678   270.84630198
 Q    209  94  92     4.317889824205    83.63076347   209.86726064
 Q    560 209  94     2.804954563313    72.96460392   134.74915933
 Q    561 560 209     1.573019657329    27.65536666    49.36881301
 Q    284 185 174     5.349427180450    67.73812905   321.75555850
 Q    563 284 185     2.804572599049   110.34427362    30.68814349
 Q    563 284 185     1.552453437254   128.03566362     7.38117332
 Q    282 281  62     3.524731855362    81.19553583    68.95121172
 Q    566 282 281     3.107321221210   167.20944496   229.58448874
 Q    567 566 282     1.662636854239    21.81739006   137.10264365
 Q    257 107  52     4.175610636174    81.03339176   167.14047311
 Q    569 257 107     3.085639825546    85.41845413   223.21077621
 Q    570 569 257     1.657258575108    22.09712409   271.99683207
 Q    145 144 143     4.172273945825    81.87199777    86.31454791
 Q    572 145 144     2.735668223610    88.00084199   325.77439147
 Q    573 572 145     1.536731984677    28.47712526   130.57052185
 Q    368 125  98     4.770388959839    61.23572289   320.80672564
 Q    575 368 125     2.919305789278    65.94638728   144.85746881
 Q    576 575 368     1.546576620814    22.73208153   141.86717851
 Q    473 287 135     3.894578397152   105.32160566    59.29717530
 Q    578 473 287     3.126111978037    79.07408933   235.70780221
 Q    578 473 287     1.661884942970    66.84800914   253.27018961
 Q    336 335 232     4.008046316876   134.90491695   288.05858720
 Q    581 336 335     2.734101328408   159.43962862   147.52512022
 Q    581 336 335     1.507759891579   168.00319164    38.37535217
 Q    356 164 146     4.549846798963   131.90959826   191.90127772
 Q    584 356 164     2.856050832182    64.02049206   249.83204795
 Q    584 356 164     1.577100718357    51.30510195   221.54306448
 Q    451 449 426     4.187054898519   117.57319649    79.88746797
 Q    587 451 449     2.994783698194   167.05290502   156.10817801
 Q    587 451 449     1.617013819171   144.60346398   164.97012980
 Q    480 479 107     4.548904850441   127.66261062   114.08795924
 Q    590 480 479     2.862420517254    68.61383968   221.94661036
 Q    590 480 479     1.590404112547    44.21965188   210.87929625
 Q    226 224  35     4.070463073979   126.72097012   220.84787550
 Q    593 226 224     2.708116671323   147.66236467   110.28320192
 Q    594 593 226     1.535802181545    28.84213099   184.98866389
 Q    367 366 365     3.784456728836    93.43745152   245.66652986
 Q    596 367 366     3.143200287138   165.46406205   133.98469432
 Q    596 367 366     1.671740219171   169.55869189   255.36952770
 Q    154 152 150     3.730665917787   133.18248545   315.77286376
 Q    599 154 152     2.907784426659   136.48904371   322.96486934
 Q    600 599 154     1.599025465913    25.14919266   171.23359053
 Q    560 209  94     4.534003967811   133.79023194   356.11408456
 Q    602 560 209     2.957949630485    79.71554913   258.04810624
 Q    602 560 209     1.587482432207    56.17743161   253.03055731
 Q    424 423 422     3.835632022923    96.99717031   242.44354980
 Q    605 424 423     2.862919501048   143.13574822   319.07615310
 Q    605 424 423     1.592872117874   167.93649033   347.29426263
 Q    540 539 504     3.768949695204   101.57452059   301.76806984
 Q    608 540 539     2.807372463483   129.73193251   248.44248335
 Q    608 540 539     1.532077326144   139.68271464   213.23780201
 Q     71  54  53     3.513467946671   120.34471577   212.66265289
 Q    611  71  54     2.956077758689   151.11627333   309.41922427
 Q    612 611  71     1.594664631726    23.28760131   157.22391943
 Q    469 467 403     4.474662397366    98.51204537   308.97424623
 Q    614 469 467     2.565438079400   131.83297611    88.30175423
 Q    614 469 467     1.455334521405   131.51501223   128.15234787

---------------------
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 final053.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 (  2.6 sec)
Shell pair information
Total number of shell pairs                 ...    614386
Shell pairs after pre-screening             ...    245633
Total number of primitive shell pairs       ...    864264
Primitive shell pairs kept                  ...    291705
          la=0 lb=0:  64665 shell pairs
          la=1 lb=0:  70669 shell pairs
          la=1 lb=1:  19278 shell pairs
          la=2 lb=0:  36799 shell pairs
          la=2 lb=1:  20881 shell pairs
          la=2 lb=2:   5517 shell pairs
          la=3 lb=0:  14239 shell pairs
          la=3 lb=1:   8350 shell pairs
          la=3 lb=2:   4317 shell pairs
          la=3 lb=3:    918 shell pairs

Calculating one electron integrals          ... done (  1.3 sec)
Calculating RI/J V-Matrix + Cholesky decomp.... done (  0.7 sec)
Calculating Nuclear repulsion               ... done (  0.0 sec) ENN=   5218.077023553159 Eh

SHARK setup successfully completed in   8.3 seconds

Maximum memory used throughout the entire GTOINT-calculation: 345.3 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         .... final053.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            ....   5218.0770235532 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                        ... 2.424e-06
Time for diagonalization                   ...    1.031 sec
Threshold for overlap eigenvalues          ... 1.000e-08
Number of eigenvalues below threshold      ... 0
Time for construction of square roots      ...    1.238 sec
Total time needed                          ...    2.312 sec

Time for model grid setup =    1.910 sec

------------------------------
INITIAL GUESS: MODEL POTENTIAL
------------------------------
Loading Hartree-Fock densities                     ... done
Calculating cut-offs                               ... done
Initializing the effective Hamiltonian             ... done
Setting up the integral package (SHARK)            ... done
Starting the Coulomb interaction                   ... done (   2.4 sec)
Reading the grid                                   ... done
Mapping shells                                     ... done
Starting the XC term evaluation                    ... done (   0.7 sec)
  promolecular density results
     # of electrons  =    339.970907935
     EX              =   -294.741538729
     EC              =    -11.613451572
     EX+EC           =   -306.354990302
Transforming the Hamiltonian                       ... done (   0.6 sec)
Diagonalizing the Hamiltonian                      ... done (   1.2 sec)
Back transforming the eigenvectors                 ... done (   0.2 sec)
Now organizing SCF variables                       ... done
                      ------------------
                      INITIAL GUESS DONE (   7.3 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                  ...   438191
Total number of batches                      ...     7032
Average number of points per batch           ...       62
Average number of grid points per atom       ...      711
Time for grid setup =    6.673 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                  ...    55715
Total number of batches                      ...     1097
Average number of points per batch           ...       50
Average number of grid points per atom       ...       90
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                  ...   121535
Total number of batches                      ...     2087
Average number of points per batch           ...       58
Average number of grid points per atom       ...      197
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                  ...   259664
Total number of batches                      ...     4235
Average number of points per batch           ...       61
Average number of grid points per atom       ...      422
UseSFitting                                  ... on

Time for X-Grid setup             =   12.642 sec

 re-compute Schwartz prescreening matrix in partically contracted basis (1) ...done (   0.203 sec)
--------------
SCF ITERATIONS
--------------
ITER       Energy         Delta-E        Max-DP      RMS-DP      [F,P]     Damp
               ***  Starting incremental Fock matrix formation  ***
  0  -2688.1112802447   0.000000000000 0.96037323  0.00113392  0.4056482 0.7000
  1  -2689.6550535703  -1.543773325584 0.67165962  0.00081158  0.1563536 0.7000
                               ***Turning on DIIS***
  2  -2690.1459904012  -0.490936830959 0.25288885  0.00062415  0.0366795 0.0000
  3  -2691.0341461980  -0.888155796750 0.63868146  0.00071725  0.0950595 0.0000
  4  -2691.2004186484  -0.166272450396 0.13544548  0.00017520  0.0171189 0.0000
  5  -2691.2058660549  -0.005447406544 0.03706832  0.00004614  0.0054659 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  -2691.20621986  -0.0003538041  0.000215  0.000215  0.007911  0.000013
               *** Restarting incremental Fock matrix formation ***
  7  -2691.20624618  -0.0000263219  0.000098  0.000300  0.015481  0.000042
  8  -2691.20624812  -0.0000019414  0.000118  0.000101  0.003283  0.000009
  9  -2691.20625473  -0.0000066096  0.000020  0.000053  0.004549  0.000009
 10  -2691.20625475  -0.0000000196  0.000018  0.000016  0.001433  0.000002
 11  -2691.20625495  -0.0000001981  0.000004  0.000007  0.001516  0.000002
 12  -2691.20625495  -0.0000000016  0.000003  0.000003  0.002745  0.000003
                  ***Gradient check signals convergence***
              ***Rediagonalizing the Fockian in SOSCF/NRSCF***

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

Old exchange energy                            =    -59.909351129 Eh
New exchange energy                            =    -59.909207076 Eh
Exchange energy change after final integration =      0.000144052 Eh
Total energy after final integration           =  -2691.206110856 Eh
Final COS-X integration done in                =    84.266 sec

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

Total Energy       :        -2691.20611086 Eh          -73231.44129 eV

Components:
Nuclear Repulsion  :         5218.07702355 Eh          141991.09450 eV
Electronic Energy  :        -7909.28313441 Eh         -215222.53579 eV
One Electron Energy:       -14214.91653036 Eh         -386807.54371 eV
Two Electron Energy:         6305.63339595 Eh          171585.00792 eV
Max COSX asymmetry :            0.00002013 Eh               0.00055 eV

Virial components:
Potential Energy   :        -5202.67485923 Eh         -141571.98030 eV
Kinetic Energy     :         2511.46874837 Eh           68340.53901 eV
Virial Ratio       :            2.07156663


DFT components:
N(Alpha)           :      170.000469700937 electrons
N(Beta)            :      170.000469700937 electrons
N(Total)           :      340.000939401874 electrons
E(X)               :     -238.616640210201 Eh       
E(C)               :      -13.778970123945 Eh       
E(XC)              :     -252.395610334146 Eh       
DFET-embed. en.    :        0.000000000000 Eh       

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

  Last Energy change         ...    4.3105e-08  Tolerance :   1.0000e-08
  Last MAX-Density change    ...    5.3291e-15  Tolerance :   1.0000e-07
  Last RMS-Density change    ...    9.2451e-18  Tolerance :   5.0000e-09
  Last Orbital Gradient      ...    9.1795e-07  Tolerance :   1.0000e-05
  Last Orbital Rotation      ...    2.0451e-06  Tolerance :   1.0000e-05

             **** THE GBW FILE WAS UPDATED (final053.orca.gbw) ****
             **** DENSITY final053.orca.scfp WAS UPDATED ****
             **** ENERGY FILE WAS UPDATED (final053.orca.en.tmp) ****
             **** THE GBW FILE WAS UPDATED (final053.orca.gbw) ****
             **** DENSITY final053.orca.scfp WAS UPDATED ****
----------------
ORBITAL ENERGIES
----------------

  NO   OCC          E(Eh)            E(eV) 
   0   2.0000     -19.176664      -521.8236 
   1   2.0000     -19.167010      -521.5609 
   2   2.0000     -19.163840      -521.4746 
   3   2.0000     -19.163158      -521.4560 
   4   2.0000     -19.159413      -521.3541 
   5   2.0000     -19.156217      -521.2672 
   6   2.0000     -19.154487      -521.2201 
   7   2.0000     -19.154227      -521.2130 
   8   2.0000     -19.152828      -521.1750 
   9   2.0000     -19.150297      -521.1061 
  10   2.0000     -19.149225      -521.0769 
  11   2.0000     -19.146816      -521.0114 
  12   2.0000     -19.146516      -521.0032 
  13   2.0000     -19.145725      -520.9817 
  14   2.0000     -19.144644      -520.9522 
  15   2.0000     -19.141858      -520.8764 
  16   2.0000     -19.141561      -520.8684 
  17   2.0000     -19.141501      -520.8667 
  18   2.0000     -19.140200      -520.8313 
  19   2.0000     -19.136267      -520.7243 
  20   2.0000     -19.135186      -520.6949 
  21   2.0000     -19.131624      -520.5980 
  22   2.0000     -19.130164      -520.5582 
  23   2.0000     -19.127456      -520.4845 
  24   2.0000     -19.125930      -520.4430 
  25   2.0000     -19.124696      -520.4094 
  26   2.0000     -19.121430      -520.3206 
  27   2.0000     -19.120955      -520.3076 
  28   2.0000     -19.119629      -520.2716 
  29   2.0000     -19.116957      -520.1988 
  30   2.0000     -19.113003      -520.0912 
  31   2.0000     -10.227402      -278.3017 
  32   2.0000     -10.223567      -278.1974 
  33   2.0000     -10.173907      -276.8461 
  34   2.0000     -10.173385      -276.8319 
  35   2.0000      -1.067963       -29.0607 
  36   2.0000      -1.059462       -28.8294 
  37   2.0000      -1.051520       -28.6133 
  38   2.0000      -1.045798       -28.4576 
  39   2.0000      -1.042134       -28.3579 
  40   2.0000      -1.040259       -28.3069 
  41   2.0000      -1.039837       -28.2954 
  42   2.0000      -1.033518       -28.1235 
  43   2.0000      -1.032850       -28.1053 
  44   2.0000      -1.031432       -28.0667 
  45   2.0000      -1.031154       -28.0591 
  46   2.0000      -1.030080       -28.0299 
  47   2.0000      -1.029026       -28.0012 
  48   2.0000      -1.028092       -27.9758 
  49   2.0000      -1.026050       -27.9202 
  50   2.0000      -1.025237       -27.8981 
  51   2.0000      -1.022370       -27.8201 
  52   2.0000      -1.021932       -27.8082 
  53   2.0000      -1.021407       -27.7939 
  54   2.0000      -1.018751       -27.7216 
  55   2.0000      -1.016694       -27.6657 
  56   2.0000      -1.010652       -27.5012 
  57   2.0000      -1.008836       -27.4518 
  58   2.0000      -1.006888       -27.3988 
  59   2.0000      -1.005356       -27.3571 
  60   2.0000      -1.002509       -27.2797 
  61   2.0000      -1.001668       -27.2568 
  62   2.0000      -1.000540       -27.2261 
  63   2.0000      -0.999260       -27.1912 
  64   2.0000      -0.984844       -26.7990 
  65   2.0000      -0.983977       -26.7754 
  66   2.0000      -0.802530       -21.8379 
  67   2.0000      -0.729883       -19.8611 
  68   2.0000      -0.648820       -17.6553 
  69   2.0000      -0.601136       -16.3577 
  70   2.0000      -0.581562       -15.8251 
  71   2.0000      -0.578522       -15.7424 
  72   2.0000      -0.573324       -15.6009 
  73   2.0000      -0.571546       -15.5526 
  74   2.0000      -0.569438       -15.4952 
  75   2.0000      -0.566114       -15.4048 
  76   2.0000      -0.565047       -15.3757 
  77   2.0000      -0.563149       -15.3241 
  78   2.0000      -0.561560       -15.2808 
  79   2.0000      -0.557856       -15.1800 
  80   2.0000      -0.554707       -15.0943 
  81   2.0000      -0.553435       -15.0597 
  82   2.0000      -0.548649       -14.9295 
  83   2.0000      -0.548020       -14.9124 
  84   2.0000      -0.547809       -14.9066 
  85   2.0000      -0.546446       -14.8696 
  86   2.0000      -0.544254       -14.8099 
  87   2.0000      -0.538949       -14.6656 
  88   2.0000      -0.538579       -14.6555 
  89   2.0000      -0.534155       -14.5351 
  90   2.0000      -0.529578       -14.4106 
  91   2.0000      -0.527035       -14.3413 
  92   2.0000      -0.520288       -14.1577 
  93   2.0000      -0.516936       -14.0666 
  94   2.0000      -0.516730       -14.0609 
  95   2.0000      -0.511460       -13.9175 
  96   2.0000      -0.510850       -13.9009 
  97   2.0000      -0.509390       -13.8612 
  98   2.0000      -0.505851       -13.7649 
  99   2.0000      -0.504772       -13.7356 
 100   2.0000      -0.498691       -13.5701 
 101   2.0000      -0.478882       -13.0311 
 102   2.0000      -0.466935       -12.7059 
 103   2.0000      -0.461578       -12.5602 
 104   2.0000      -0.452048       -12.3009 
 105   2.0000      -0.443616       -12.0714 
 106   2.0000      -0.437595       -11.9076 
 107   2.0000      -0.433716       -11.8020 
 108   2.0000      -0.432394       -11.7660 
 109   2.0000      -0.431456       -11.7405 
 110   2.0000      -0.429558       -11.6889 
 111   2.0000      -0.427503       -11.6329 
 112   2.0000      -0.427175       -11.6240 
 113   2.0000      -0.424937       -11.5631 
 114   2.0000      -0.422800       -11.5050 
 115   2.0000      -0.419532       -11.4160 
 116   2.0000      -0.417115       -11.3503 
 117   2.0000      -0.416234       -11.3263 
 118   2.0000      -0.414768       -11.2864 
 119   2.0000      -0.413171       -11.2430 
 120   2.0000      -0.412946       -11.2368 
 121   2.0000      -0.411599       -11.2002 
 122   2.0000      -0.407938       -11.1006 
 123   2.0000      -0.406033       -11.0487 
 124   2.0000      -0.400211       -10.8903 
 125   2.0000      -0.398809       -10.8522 
 126   2.0000      -0.396963       -10.8019 
 127   2.0000      -0.393953       -10.7200 
 128   2.0000      -0.392226       -10.6730 
 129   2.0000      -0.391283       -10.6473 
 130   2.0000      -0.388858       -10.5814 
 131   2.0000      -0.387696       -10.5498 
 132   2.0000      -0.383247       -10.4287 
 133   2.0000      -0.382508       -10.4086 
 134   2.0000      -0.378685       -10.3046 
 135   2.0000      -0.368936       -10.0392 
 136   2.0000      -0.365687        -9.9508 
 137   2.0000      -0.361192        -9.8285 
 138   2.0000      -0.360585        -9.8120 
 139   2.0000      -0.359693        -9.7878 
 140   2.0000      -0.358765        -9.7625 
 141   2.0000      -0.354775        -9.6539 
 142   2.0000      -0.354175        -9.6376 
 143   2.0000      -0.353861        -9.6290 
 144   2.0000      -0.347129        -9.4459 
 145   2.0000      -0.346677        -9.4336 
 146   2.0000      -0.345224        -9.3940 
 147   2.0000      -0.343314        -9.3420 
 148   2.0000      -0.343172        -9.3382 
 149   2.0000      -0.341629        -9.2962 
 150   2.0000      -0.338267        -9.2047 
 151   2.0000      -0.337364        -9.1801 
 152   2.0000      -0.337213        -9.1760 
 153   2.0000      -0.335842        -9.1387 
 154   2.0000      -0.335435        -9.1277 
 155   2.0000      -0.329873        -8.9763 
 156   2.0000      -0.329244        -8.9592 
 157   2.0000      -0.327848        -8.9212 
 158   2.0000      -0.326081        -8.8731 
 159   2.0000      -0.323727        -8.8091 
 160   2.0000      -0.318451        -8.6655 
 161   2.0000      -0.316552        -8.6138 
 162   2.0000      -0.314298        -8.5525 
 163   2.0000      -0.312431        -8.5017 
 164   2.0000      -0.311409        -8.4739 
 165   2.0000      -0.307611        -8.3705 
 166   2.0000      -0.305421        -8.3109 
 167   2.0000      -0.303643        -8.2626 
 168   2.0000      -0.302683        -8.2364 
 169   2.0000      -0.288846        -7.8599 
 170   0.0000      -0.035067        -0.9542 
 171   0.0000      -0.021034        -0.5724 
 172   0.0000      -0.017394        -0.4733 
 173   0.0000      -0.013225        -0.3599 
 174   0.0000       0.001140         0.0310 
 175   0.0000       0.001926         0.0524 
 176   0.0000       0.005354         0.1457 
 177   0.0000       0.011399         0.3102 
 178   0.0000       0.016706         0.4546 
 179   0.0000       0.021820         0.5938 
 180   0.0000       0.024619         0.6699 
 181   0.0000       0.027240         0.7412 
 182   0.0000       0.032264         0.8780 
 183   0.0000       0.040837         1.1112 
 184   0.0000       0.043516         1.1841 
 185   0.0000       0.044471         1.2101 
 186   0.0000       0.046148         1.2557 
 187   0.0000       0.047981         1.3056 
 188   0.0000       0.048104         1.3090 
 189   0.0000       0.053266         1.4494 
 190   0.0000       0.053943         1.4679 
 191   0.0000       0.058115         1.5814 
 192   0.0000       0.064136         1.7452 
 193   0.0000       0.067265         1.8304 
 194   0.0000       0.068982         1.8771 
 195   0.0000       0.070250         1.9116 
 196   0.0000       0.073344         1.9958 
 197   0.0000       0.074482         2.0268 
 198   0.0000       0.076571         2.0836 
 199   0.0000       0.077910         2.1200 
 200   0.0000       0.082656         2.2492 
 201   0.0000       0.084134         2.2894 
 202   0.0000       0.085420         2.3244 
 203   0.0000       0.088245         2.4013 
 204   0.0000       0.091205         2.4818 
 205   0.0000       0.092645         2.5210 
 206   0.0000       0.094105         2.5607 
 207   0.0000       0.096573         2.6279 
 208   0.0000       0.099241         2.7005 
 209   0.0000       0.101624         2.7653 
 210   0.0000       0.102954         2.8015 
 211   0.0000       0.103887         2.8269 
 212   0.0000       0.105542         2.8719 
 213   0.0000       0.107581         2.9274 
 214   0.0000       0.110066         2.9951 
 215   0.0000       0.110703         3.0124 
 216   0.0000       0.112607         3.0642 
 217   0.0000       0.114968         3.1284 
 218   0.0000       0.115270         3.1366 
 219   0.0000       0.117771         3.2047 
 220   0.0000       0.120790         3.2869 
 221   0.0000       0.123412         3.3582 
 222   0.0000       0.123700         3.3661 
 223   0.0000       0.126211         3.4344 
 224   0.0000       0.128940         3.5086 
 225   0.0000       0.129381         3.5206 
 226   0.0000       0.131077         3.5668 
 227   0.0000       0.132911         3.6167 
 228   0.0000       0.134878         3.6702 
 229   0.0000       0.135331         3.6825 
 230   0.0000       0.136505         3.7145 
 231   0.0000       0.136990         3.7277 
 232   0.0000       0.138829         3.7777 
 233   0.0000       0.140066         3.8114 
 234   0.0000       0.141610         3.8534 
 235   0.0000       0.143786         3.9126 
 236   0.0000       0.144580         3.9342 
 237   0.0000       0.148223         4.0334 
 238   0.0000       0.148490         4.0406 
 239   0.0000       0.150011         4.0820 
 240   0.0000       0.151603         4.1253 
 241   0.0000       0.153086         4.1657 
 242   0.0000       0.154139         4.1943 
 243   0.0000       0.154839         4.2134 
 244   0.0000       0.156077         4.2471 
 245   0.0000       0.159602         4.3430 
 246   0.0000       0.159738         4.3467 
 247   0.0000       0.160209         4.3595 
 248   0.0000       0.162154         4.4124 
 249   0.0000       0.163228         4.4417 
 250   0.0000       0.166847         4.5401 
 251   0.0000       0.167204         4.5499 
 252   0.0000       0.167686         4.5630 
 253   0.0000       0.169802         4.6206 
 254   0.0000       0.171557         4.6683 
 255   0.0000       0.172286         4.6881 
 256   0.0000       0.173594         4.7237 
 257   0.0000       0.174701         4.7539 
 258   0.0000       0.177506         4.8302 
 259   0.0000       0.179820         4.8931 
 260   0.0000       0.180022         4.8986 
 261   0.0000       0.181134         4.9289 
 262   0.0000       0.182054         4.9539 
 263   0.0000       0.183045         4.9809 
 264   0.0000       0.185587         5.0501 
 265   0.0000       0.186071         5.0633 
 266   0.0000       0.186966         5.0876 
 267   0.0000       0.189250         5.1497 
 268   0.0000       0.190202         5.1757 
 269   0.0000       0.191032         5.1982 
 270   0.0000       0.193589         5.2678 
 271   0.0000       0.194850         5.3021 
 272   0.0000       0.195285         5.3140 
 273   0.0000       0.197144         5.3646 
 274   0.0000       0.198641         5.4053 
 275   0.0000       0.199136         5.4188 
 276   0.0000       0.200341         5.4515 
 277   0.0000       0.202561         5.5120 
 278   0.0000       0.203292         5.5319 
 279   0.0000       0.204962         5.5773 
 280   0.0000       0.205320         5.5871 
 281   0.0000       0.207490         5.6461 
 282   0.0000       0.208738         5.6800 
 283   0.0000       0.210497         5.7279 
 284   0.0000       0.212847         5.7918 
 285   0.0000       0.213638         5.8134 
 286   0.0000       0.215261         5.8576 
 287   0.0000       0.217200         5.9103 
 288   0.0000       0.218006         5.9323 
 289   0.0000       0.219477         5.9723 
 290   0.0000       0.221507         6.0275 
 291   0.0000       0.223053         6.0696 
 292   0.0000       0.225698         6.1416 
 293   0.0000       0.226707         6.1690 
 294   0.0000       0.228171         6.2088 
 295   0.0000       0.228375         6.2144 
 296   0.0000       0.230205         6.2642 
 297   0.0000       0.230703         6.2777 
 298   0.0000       0.232665         6.3311 
 299   0.0000       0.234553         6.3825 
 300   0.0000       0.237681         6.4676 
 301   0.0000       0.238597         6.4926 
 302   0.0000       0.239328         6.5124 
 303   0.0000       0.241669         6.5761 
 304   0.0000       0.243874         6.6361 
 305   0.0000       0.245245         6.6735 
 306   0.0000       0.246825         6.7164 
 307   0.0000       0.248084         6.7507 
 308   0.0000       0.249367         6.7856 
 309   0.0000       0.249888         6.7998 
 310   0.0000       0.251743         6.8503 
 311   0.0000       0.252074         6.8593 
 312   0.0000       0.253903         6.9091 
 313   0.0000       0.255104         6.9417 
 314   0.0000       0.256116         6.9693 
 315   0.0000       0.258165         7.0250 
 316   0.0000       0.259650         7.0654 
 317   0.0000       0.261663         7.1202 
 318   0.0000       0.263509         7.1704 
 319   0.0000       0.264183         7.1888 
 320   0.0000       0.266973         7.2647 
 321   0.0000       0.268422         7.3041 
 322   0.0000       0.269938         7.3454 
 323   0.0000       0.271224         7.3804 
 324   0.0000       0.272616         7.4183 
 325   0.0000       0.275184         7.4881 
 326   0.0000       0.277259         7.5446 
 327   0.0000       0.278439         7.5767 
 328   0.0000       0.279930         7.6173 
 329   0.0000       0.281629         7.6635 
 330   0.0000       0.284241         7.7346 
 331   0.0000       0.285939         7.7808 
 332   0.0000       0.286804         7.8043 
 333   0.0000       0.288400         7.8478 
 334   0.0000       0.291520         7.9327 
 335   0.0000       0.293792         7.9945 
 336   0.0000       0.295760         8.0480 
 337   0.0000       0.298098         8.1117 
 338   0.0000       0.299354         8.1458 
 339   0.0000       0.301353         8.2002 
 340   0.0000       0.302463         8.2304 
 341   0.0000       0.304176         8.2770 
 342   0.0000       0.307236         8.3603 
 343   0.0000       0.308569         8.3966 
 344   0.0000       0.309845         8.4313 
 345   0.0000       0.313695         8.5361 
 346   0.0000       0.315929         8.5969 
 347   0.0000       0.317070         8.6279 
 348   0.0000       0.320473         8.7205 
 349   0.0000       0.322220         8.7681 
 350   0.0000       0.325400         8.8546 
 351   0.0000       0.326696         8.8898 
 352   0.0000       0.329639         8.9699 
 353   0.0000       0.330679         8.9982 
 354   0.0000       0.334180         9.0935 
 355   0.0000       0.336382         9.1534 
 356   0.0000       0.338166         9.2020 
 357   0.0000       0.339238         9.2311 
 358   0.0000       0.340388         9.2624 
 359   0.0000       0.342794         9.3279 
 360   0.0000       0.345333         9.3970 
 361   0.0000       0.346045         9.4164 
 362   0.0000       0.349689         9.5155 
 363   0.0000       0.352452         9.5907 
 364   0.0000       0.354984         9.6596 
 365   0.0000       0.357431         9.7262 
 366   0.0000       0.359667         9.7870 
 367   0.0000       0.360935         9.8215 
 368   0.0000       0.361979         9.8500 
 369   0.0000       0.368578        10.0295 
 370   0.0000       0.369146        10.0450 
 371   0.0000       0.371013        10.0958 
 372   0.0000       0.374584        10.1930 
 373   0.0000       0.376140        10.2353 
 374   0.0000       0.379167        10.3177 
 375   0.0000       0.381797        10.3892 
 376   0.0000       0.384383        10.4596 
 377   0.0000       0.385192        10.4816 
 378   0.0000       0.388923        10.5831 
 379   0.0000       0.390148        10.6165 
 380   0.0000       0.391566        10.6551 
 381   0.0000       0.396312        10.7842 
 382   0.0000       0.398640        10.8476 
 383   0.0000       0.400936        10.9100 
 384   0.0000       0.405385        11.0311 
 385   0.0000       0.408163        11.1067 
 386   0.0000       0.409326        11.1383 
 387   0.0000       0.410878        11.1806 
 388   0.0000       0.414513        11.2795 
 389   0.0000       0.417407        11.3582 
 390   0.0000       0.418850        11.3975 
 391   0.0000       0.423205        11.5160 
 392   0.0000       0.423998        11.5376 
 393   0.0000       0.424873        11.5614 
 394   0.0000       0.429792        11.6952 
 395   0.0000       0.430604        11.7173 
 396   0.0000       0.430884        11.7250 
 397   0.0000       0.432521        11.7695 
 398   0.0000       0.437034        11.8923 
 399   0.0000       0.438862        11.9420 
 400   0.0000       0.441467        12.0129 
 401   0.0000       0.442442        12.0395 
 402   0.0000       0.444831        12.1045 
 403   0.0000       0.446623        12.1532 
 404   0.0000       0.447628        12.1806 
 405   0.0000       0.449740        12.2380 
 406   0.0000       0.451335        12.2814 
 407   0.0000       0.456295        12.4164 
 408   0.0000       0.459820        12.5123 
 409   0.0000       0.461590        12.5605 
 410   0.0000       0.462715        12.5911 
 411   0.0000       0.464405        12.6371 
 412   0.0000       0.464829        12.6486 
 413   0.0000       0.467820        12.7300 
 414   0.0000       0.469298        12.7702 
 415   0.0000       0.472771        12.8648 
 416   0.0000       0.474804        12.9201 
 417   0.0000       0.476678        12.9711 
 418   0.0000       0.477601        12.9962 
 419   0.0000       0.478177        13.0119 
 420   0.0000       0.479965        13.0605 
 421   0.0000       0.481549        13.1036 
 422   0.0000       0.483325        13.1520 
 423   0.0000       0.484840        13.1932 
 424   0.0000       0.486842        13.2477 
 425   0.0000       0.488715        13.2986 
 426   0.0000       0.491589        13.3768 
 427   0.0000       0.492531        13.4024 
 428   0.0000       0.493555        13.4303 
 429   0.0000       0.497055        13.5255 
 430   0.0000       0.498504        13.5650 
 431   0.0000       0.501192        13.6381 
 432   0.0000       0.502519        13.6742 
 433   0.0000       0.505051        13.7431 
 434   0.0000       0.506113        13.7720 
 435   0.0000       0.508135        13.8271 
 436   0.0000       0.510133        13.8814 
 437   0.0000       0.510515        13.8918 
 438   0.0000       0.514184        13.9917 
 439   0.0000       0.516153        14.0452 
 440   0.0000       0.517159        14.0726 
 441   0.0000       0.518306        14.1038 
 442   0.0000       0.522302        14.2126 
 443   0.0000       0.524205        14.2643 
 444   0.0000       0.525628        14.3031 
 445   0.0000       0.527868        14.3640 
 446   0.0000       0.529494        14.4083 
 447   0.0000       0.531500        14.4629 
 448   0.0000       0.532640        14.4939 
 449   0.0000       0.534727        14.5507 
 450   0.0000       0.536371        14.5954 
 451   0.0000       0.538269        14.6470 
 452   0.0000       0.541083        14.7236 
 453   0.0000       0.543120        14.7791 
 454   0.0000       0.543583        14.7916 
 455   0.0000       0.544347        14.8124 
 456   0.0000       0.545961        14.8564 
 457   0.0000       0.547802        14.9064 
 458   0.0000       0.548881        14.9358 
 459   0.0000       0.551734        15.0134 
 460   0.0000       0.552885        15.0448 
 461   0.0000       0.553380        15.0582 
 462   0.0000       0.554772        15.0961 
 463   0.0000       0.555930        15.1276 
 464   0.0000       0.559579        15.2269 
 465   0.0000       0.560233        15.2447 
 466   0.0000       0.563316        15.3286 
 467   0.0000       0.566020        15.4022 
 468   0.0000       0.566661        15.4196 
 469   0.0000       0.568623        15.4730 
 470   0.0000       0.570264        15.5177 
 471   0.0000       0.572542        15.5797 
 472   0.0000       0.573267        15.5994 
 473   0.0000       0.574209        15.6250 
 474   0.0000       0.578032        15.7290 
 475   0.0000       0.578746        15.7485 
 476   0.0000       0.579430        15.7671 
 477   0.0000       0.580634        15.7999 
 478   0.0000       0.582694        15.8559 
 479   0.0000       0.585286        15.9264 
 480   0.0000       0.587492        15.9865 
 481   0.0000       0.588928        16.0255 
 482   0.0000       0.591172        16.0866 
 483   0.0000       0.593371        16.1464 
 484   0.0000       0.594382        16.1740 
 485   0.0000       0.596932        16.2433 
 486   0.0000       0.598068        16.2742 
 487   0.0000       0.601626        16.3711 
 488   0.0000       0.602998        16.4084 
 489   0.0000       0.604399        16.4465 
 490   0.0000       0.605842        16.4858 
 491   0.0000       0.607318        16.5260 
 492   0.0000       0.609117        16.5749 
 493   0.0000       0.609735        16.5917 
 494   0.0000       0.611269        16.6335 
 495   0.0000       0.614642        16.7253 
 496   0.0000       0.615264        16.7422 
 497   0.0000       0.617439        16.8014 
 498   0.0000       0.618688        16.8354 
 499   0.0000       0.620977        16.8976 
 500   0.0000       0.621899        16.9227 
 501   0.0000       0.623875        16.9765 
 502   0.0000       0.625666        17.0252 
 503   0.0000       0.627556        17.0767 
 504   0.0000       0.628636        17.1061 
 505   0.0000       0.630910        17.1679 
 506   0.0000       0.631969        17.1968 
 507   0.0000       0.636013        17.3068 
 508   0.0000       0.637307        17.3420 
 509   0.0000       0.638919        17.3859 
 510   0.0000       0.639714        17.4075 
 511   0.0000       0.643012        17.4972 
 512   0.0000       0.643841        17.5198 
 513   0.0000       0.645759        17.5720 
 514   0.0000       0.647048        17.6071 
 515   0.0000       0.648211        17.6387 
 516   0.0000       0.650320        17.6961 
 517   0.0000       0.650507        17.7012 
 518   0.0000       0.652775        17.7629 
 519   0.0000       0.655178        17.8283 
 520   0.0000       0.656632        17.8679 
 521   0.0000       0.659791        17.9538 
 522   0.0000       0.661776        18.0078 
 523   0.0000       0.663423        18.0527 
 524   0.0000       0.665391        18.1062 
 525   0.0000       0.667152        18.1541 
 526   0.0000       0.669364        18.2143 
 527   0.0000       0.671509        18.2727 
 528   0.0000       0.673921        18.3383 
 529   0.0000       0.675549        18.3826 
 530   0.0000       0.676953        18.4208 
 531   0.0000       0.679205        18.4821 
 532   0.0000       0.681045        18.5322 
 533   0.0000       0.681220        18.5369 
 534   0.0000       0.683684        18.6040 
 535   0.0000       0.686083        18.6693 
 536   0.0000       0.688144        18.7253 
 537   0.0000       0.689899        18.7731 
 538   0.0000       0.690907        18.8005 
 539   0.0000       0.693119        18.8607 
 540   0.0000       0.694068        18.8865 
 541   0.0000       0.697095        18.9689 
 542   0.0000       0.700280        19.0556 
 543   0.0000       0.703397        19.1404 
 544   0.0000       0.704767        19.1777 
 545   0.0000       0.706093        19.2138 
 546   0.0000       0.707799        19.2602 
 547   0.0000       0.709188        19.2980 
 548   0.0000       0.712154        19.3787 
 549   0.0000       0.712626        19.3915 
 550   0.0000       0.714315        19.4375 
 551   0.0000       0.715820        19.4784 
 552   0.0000       0.718696        19.5567 
 553   0.0000       0.719507        19.5788 
 554   0.0000       0.720705        19.6114 
 555   0.0000       0.722953        19.6726 
 556   0.0000       0.723836        19.6966 
 557   0.0000       0.727765        19.8035 
 558   0.0000       0.729761        19.8578 
 559   0.0000       0.730859        19.8877 
 560   0.0000       0.732862        19.9422 
 561   0.0000       0.734786        19.9946 
 562   0.0000       0.737532        20.0693 
 563   0.0000       0.739606        20.1257 
 564   0.0000       0.740593        20.1526 
 565   0.0000       0.743247        20.2248 
 566   0.0000       0.744053        20.2467 
 567   0.0000       0.745231        20.2788 
 568   0.0000       0.747795        20.3485 
 569   0.0000       0.750622        20.4255 
 570   0.0000       0.752634        20.4802 
 571   0.0000       0.753680        20.5087 
 572   0.0000       0.756434        20.5836 
 573   0.0000       0.757746        20.6193 
 574   0.0000       0.759070        20.6554 
 575   0.0000       0.760516        20.6947 
 576   0.0000       0.761250        20.7147 
 577   0.0000       0.766933        20.8693 
 578   0.0000       0.767481        20.8842 
 579   0.0000       0.770314        20.9613 
 580   0.0000       0.770623        20.9697 
 581   0.0000       0.772877        21.0310 
 582   0.0000       0.773264        21.0416 
 583   0.0000       0.774919        21.0866 
 584   0.0000       0.777369        21.1533 
 585   0.0000       0.779572        21.2132 
 586   0.0000       0.780509        21.2387 
 587   0.0000       0.781918        21.2771 
 588   0.0000       0.784517        21.3478 
 589   0.0000       0.785469        21.3737 
 590   0.0000       0.789042        21.4709 
 591   0.0000       0.792017        21.5519 
 592   0.0000       0.793570        21.5941 
 593   0.0000       0.795851        21.6562 
 594   0.0000       0.797073        21.6895 
 595   0.0000       0.798391        21.7253 
 596   0.0000       0.802496        21.8370 
 597   0.0000       0.804792        21.8995 
 598   0.0000       0.806419        21.9438 
 599   0.0000       0.808262        21.9939 
 600   0.0000       0.810972        22.0677 
 601   0.0000       0.811333        22.0775 
 602   0.0000       0.813640        22.1403 
 603   0.0000       0.815019        22.1778 
 604   0.0000       0.816797        22.2262 
 605   0.0000       0.819162        22.2905 
 606   0.0000       0.821494        22.3540 
 607   0.0000       0.824881        22.4462 
 608   0.0000       0.826817        22.4988 
 609   0.0000       0.828165        22.5355 
 610   0.0000       0.831572        22.6282 
 611   0.0000       0.832727        22.6597 
 612   0.0000       0.835919        22.7465 
 613   0.0000       0.837675        22.7943 
 614   0.0000       0.839060        22.8320 
 615   0.0000       0.840545        22.8724 
 616   0.0000       0.843763        22.9600 
 617   0.0000       0.844400        22.9773 
 618   0.0000       0.846244        23.0275 
 619   0.0000       0.848002        23.0753 
 620   0.0000       0.850722        23.1493 
 621   0.0000       0.852502        23.1978 
 622   0.0000       0.852924        23.2092 
 623   0.0000       0.857379        23.3305 
 624   0.0000       0.858469        23.3601 
 625   0.0000       0.861279        23.4366 
 626   0.0000       0.864908        23.5353 
 627   0.0000       0.865379        23.5482 
 628   0.0000       0.868485        23.6327 
 629   0.0000       0.870134        23.6775 
 630   0.0000       0.872513        23.7423 
 631   0.0000       0.874186        23.7878 
 632   0.0000       0.875462        23.8225 
 633   0.0000       0.878617        23.9084 
 634   0.0000       0.879378        23.9291 
 635   0.0000       0.881008        23.9734 
 636   0.0000       0.883624        24.0446 
 637   0.0000       0.886621        24.1262 
 638   0.0000       0.891444        24.2574 
 639   0.0000       0.892296        24.2806 
 640   0.0000       0.894592        24.3431 
 641   0.0000       0.895930        24.3795 
 642   0.0000       0.898200        24.4413 
 643   0.0000       0.899635        24.4803 
 644   0.0000       0.900608        24.5068 
 645   0.0000       0.903405        24.5829 
 646   0.0000       0.906193        24.6588 
 647   0.0000       0.910509        24.7762 
 648   0.0000       0.912462        24.8294 
 649   0.0000       0.914870        24.8949 
 650   0.0000       0.915574        24.9140 
 651   0.0000       0.919779        25.0285 
 652   0.0000       0.920192        25.0397 
 653   0.0000       0.922490        25.1022 
 654   0.0000       0.924004        25.1434 
 655   0.0000       0.926895        25.2221 
 656   0.0000       0.928100        25.2549 
 657   0.0000       0.931909        25.3585 
 658   0.0000       0.934596        25.4317 
 659   0.0000       0.937611        25.5137 
 660   0.0000       0.939052        25.5529 
 661   0.0000       0.939804        25.5734 
 662   0.0000       0.944956        25.7136 
 663   0.0000       0.947041        25.7703 
 664   0.0000       0.950875        25.8746 
 665   0.0000       0.953083        25.9347 
 666   0.0000       0.955275        25.9944 
 667   0.0000       0.957313        26.0498 
 668   0.0000       0.959126        26.0991 
 669   0.0000       0.960712        26.1423 
 670   0.0000       0.964202        26.2373 
 671   0.0000       0.965122        26.2623 
 672   0.0000       0.967645        26.3310 
 673   0.0000       0.969101        26.3706 
 674   0.0000       0.970335        26.4042 
 675   0.0000       0.974210        26.5096 
 676   0.0000       0.976267        26.5656 
 677   0.0000       0.980383        26.6776 
 678   0.0000       0.981107        26.6973 
 679   0.0000       0.983207        26.7544 
 680   0.0000       0.987682        26.8762 
 681   0.0000       0.988488        26.8981 
 682   0.0000       0.989479        26.9251 
 683   0.0000       0.993458        27.0334 
 684   0.0000       0.997036        27.1307 
 685   0.0000       0.998804        27.1788 
 686   0.0000       1.001422        27.2501 
 687   0.0000       1.002459        27.2783 
 688   0.0000       1.005256        27.3544 
 689   0.0000       1.005942        27.3731 
 690   0.0000       1.008925        27.4543 
 691   0.0000       1.012419        27.5493 
 692   0.0000       1.013529        27.5795 
 693   0.0000       1.014192        27.5976 
 694   0.0000       1.018563        27.7165 
 695   0.0000       1.020780        27.7768 
 696   0.0000       1.022790        27.8315 
 697   0.0000       1.023893        27.8615 
 698   0.0000       1.025137        27.8954 
 699   0.0000       1.031614        28.0716 
 700   0.0000       1.032960        28.1083 
 701   0.0000       1.034432        28.1483 
 702   0.0000       1.036589        28.2070 
 703   0.0000       1.037481        28.2313 
 704   0.0000       1.039966        28.2989 
 705   0.0000       1.042151        28.3584 
 706   0.0000       1.043918        28.4065 
 707   0.0000       1.045024        28.4365 
 708   0.0000       1.049630        28.5619 
 709   0.0000       1.050243        28.5786 
 710   0.0000       1.055164        28.7125 
 711   0.0000       1.056555        28.7503 
 712   0.0000       1.057809        28.7845 
 713   0.0000       1.061275        28.8788 
 714   0.0000       1.062969        28.9249 
 715   0.0000       1.066816        29.0295 
 716   0.0000       1.068924        29.0869 
 717   0.0000       1.069741        29.1091 
 718   0.0000       1.072725        29.1903 
 719   0.0000       1.074116        29.2282 
 720   0.0000       1.075033        29.2531 
 721   0.0000       1.077707        29.3259 
 722   0.0000       1.079619        29.3779 
 723   0.0000       1.080465        29.4010 
 724   0.0000       1.083831        29.4925 
 725   0.0000       1.085427        29.5360 
 726   0.0000       1.090986        29.6872 
 727   0.0000       1.092118        29.7180 
 728   0.0000       1.093232        29.7484 
 729   0.0000       1.095287        29.8043 
 730   0.0000       1.099381        29.9157 
 731   0.0000       1.102639        30.0043 
 732   0.0000       1.103713        30.0336 
 733   0.0000       1.104473        30.0543 
 734   0.0000       1.107670        30.1412 
 735   0.0000       1.111161        30.2362 
 736   0.0000       1.112060        30.2607 
 737   0.0000       1.115198        30.3461 
 738   0.0000       1.117157        30.3994 
 739   0.0000       1.119931        30.4749 
 740   0.0000       1.123977        30.5850 
 741   0.0000       1.125726        30.6326 
 742   0.0000       1.128027        30.6952 
 743   0.0000       1.130852        30.7720 
 744   0.0000       1.134444        30.8698 
 745   0.0000       1.135035        30.8859 
 746   0.0000       1.136961        30.9383 
 747   0.0000       1.140570        31.0365 
 748   0.0000       1.142310        31.0838 
 749   0.0000       1.145602        31.1734 
 750   0.0000       1.148885        31.2628 
 751   0.0000       1.152185        31.3526 
 752   0.0000       1.153780        31.3960 
 753   0.0000       1.155870        31.4528 
 754   0.0000       1.161224        31.5985 
 755   0.0000       1.162735        31.6396 
 756   0.0000       1.164558        31.6892 
 757   0.0000       1.168074        31.7849 
 758   0.0000       1.169849        31.8332 
 759   0.0000       1.172524        31.9060 
 760   0.0000       1.173318        31.9276 
 761   0.0000       1.174720        31.9658 
 762   0.0000       1.177710        32.0471 
 763   0.0000       1.179373        32.0924 
 764   0.0000       1.182221        32.1699 
 765   0.0000       1.183497        32.2046 
 766   0.0000       1.187007        32.3001 
 767   0.0000       1.188297        32.3352 
 768   0.0000       1.188549        32.3421 
 769   0.0000       1.194309        32.4988 
 770   0.0000       1.196024        32.5455 
 771   0.0000       1.198024        32.5999 
 772   0.0000       1.200935        32.6791 
 773   0.0000       1.201601        32.6972 
 774   0.0000       1.205575        32.8054 
 775   0.0000       1.205915        32.8146 
 776   0.0000       1.210752        32.9462 
 777   0.0000       1.212195        32.9855 
 778   0.0000       1.214354        33.0443 
 779   0.0000       1.216184        33.0941 
 780   0.0000       1.219032        33.1715 
 781   0.0000       1.221420        33.2365 
 782   0.0000       1.224747        33.3271 
 783   0.0000       1.229063        33.4445 
 784   0.0000       1.229828        33.4653 
 785   0.0000       1.231635        33.5145 
 786   0.0000       1.233763        33.5724 
 787   0.0000       1.234691        33.5977 
 788   0.0000       1.239551        33.7299 
 789   0.0000       1.241410        33.7805 
 790   0.0000       1.241811        33.7914 
 791   0.0000       1.243827        33.8463 
 792   0.0000       1.248461        33.9723 
 793   0.0000       1.251044        34.0426 
 794   0.0000       1.253418        34.1072 
 795   0.0000       1.255246        34.1570 
 796   0.0000       1.257341        34.2140 
 797   0.0000       1.261492        34.3269 
 798   0.0000       1.263520        34.3821 
 799   0.0000       1.264741        34.4154 
 800   0.0000       1.271030        34.5865 
 801   0.0000       1.272647        34.6305 
 802   0.0000       1.274149        34.6714 
 803   0.0000       1.275788        34.7160 
 804   0.0000       1.276923        34.7469 
 805   0.0000       1.279567        34.8188 
 806   0.0000       1.281298        34.8659 
 807   0.0000       1.285240        34.9731 
 808   0.0000       1.289408        35.0866 
 809   0.0000       1.294634        35.2288 
 810   0.0000       1.295170        35.2434 
 811   0.0000       1.300142        35.3787 
 812   0.0000       1.301291        35.4099 
 813   0.0000       1.302598        35.4455 
 814   0.0000       1.304262        35.4908 
 815   0.0000       1.307016        35.5657 
 816   0.0000       1.308090        35.5949 
 817   0.0000       1.312179        35.7062 
 818   0.0000       1.315120        35.7862 
 819   0.0000       1.317054        35.8389 
 820   0.0000       1.317694        35.8563 
 821   0.0000       1.319216        35.8977 
 822   0.0000       1.322440        35.9854 
 823   0.0000       1.326417        36.0936 
 824   0.0000       1.328085        36.1390 
 825   0.0000       1.334363        36.3099 
 826   0.0000       1.335377        36.3374 
 827   0.0000       1.336808        36.3764 
 828   0.0000       1.340868        36.4869 
 829   0.0000       1.342315        36.5262 
 830   0.0000       1.344750        36.5925 
 831   0.0000       1.346307        36.6349 
 832   0.0000       1.352784        36.8111 
 833   0.0000       1.353944        36.8427 
 834   0.0000       1.360365        37.0174 
 835   0.0000       1.363988        37.1160 
 836   0.0000       1.366569        37.1862 
 837   0.0000       1.368393        37.2359 
 838   0.0000       1.369718        37.2719 
 839   0.0000       1.371761        37.3275 
 840   0.0000       1.376390        37.4535 
 841   0.0000       1.377153        37.4742 
 842   0.0000       1.381355        37.5886 
 843   0.0000       1.381787        37.6003 
 844   0.0000       1.389362        37.8064 
 845   0.0000       1.391474        37.8639 
 846   0.0000       1.392198        37.8836 
 847   0.0000       1.399792        38.0903 
 848   0.0000       1.401965        38.1494 
 849   0.0000       1.403719        38.1971 
 850   0.0000       1.404955        38.2308 
 851   0.0000       1.407570        38.3019 
 852   0.0000       1.411819        38.4175 
 853   0.0000       1.413612        38.4663 
 854   0.0000       1.415440        38.5161 
 855   0.0000       1.419123        38.6163 
 856   0.0000       1.420602        38.6565 
 857   0.0000       1.422419        38.7060 
 858   0.0000       1.426141        38.8073 
 859   0.0000       1.429940        38.9106 
 860   0.0000       1.430799        38.9340 
 861   0.0000       1.435816        39.0705 
 862   0.0000       1.436881        39.0995 
 863   0.0000       1.439444        39.1693 
 864   0.0000       1.443497        39.2795 
 865   0.0000       1.447177        39.3797 
 866   0.0000       1.449403        39.4403 
 867   0.0000       1.449999        39.4565 
 868   0.0000       1.452540        39.5256 
 869   0.0000       1.452920        39.5360 
 870   0.0000       1.457029        39.6478 
 871   0.0000       1.459148        39.7054 
 872   0.0000       1.461758        39.7765 
 873   0.0000       1.463453        39.8226 
 874   0.0000       1.467971        39.9455 
 875   0.0000       1.470876        40.0246 
 876   0.0000       1.472602        40.0715 
 877   0.0000       1.474199        40.1150 
 878   0.0000       1.477036        40.1922 
 879   0.0000       1.477782        40.2125 
 880   0.0000       1.479760        40.2663 
 881   0.0000       1.483828        40.3770 
 882   0.0000       1.484880        40.4056 
 883   0.0000       1.488798        40.5123 
 884   0.0000       1.489895        40.5421 
 885   0.0000       1.491846        40.5952 
 886   0.0000       1.495333        40.6901 
 887   0.0000       1.498579        40.7784 
 888   0.0000       1.500459        40.8296 
 889   0.0000       1.504286        40.9337 
 890   0.0000       1.506516        40.9944 
 891   0.0000       1.508662        41.0528 
 892   0.0000       1.510836        41.1119 
 893   0.0000       1.512062        41.1453 
 894   0.0000       1.514971        41.2245 
 895   0.0000       1.517796        41.3013 
 896   0.0000       1.519283        41.3418 
 897   0.0000       1.522565        41.4311 
 898   0.0000       1.525422        41.5088 
 899   0.0000       1.529671        41.6245 
 900   0.0000       1.530589        41.6494 
 901   0.0000       1.531174        41.6654 
 902   0.0000       1.534038        41.7433 
 903   0.0000       1.537768        41.8448 
 904   0.0000       1.540452        41.9178 
 905   0.0000       1.542116        41.9631 
 906   0.0000       1.542649        41.9776 
 907   0.0000       1.544707        42.0336 
 908   0.0000       1.548238        42.1297 
 909   0.0000       1.550885        42.2017 
 910   0.0000       1.551344        42.2142 
 911   0.0000       1.551704        42.2240 
 912   0.0000       1.557451        42.3804 
 913   0.0000       1.560465        42.4624 
 914   0.0000       1.563445        42.5435 
 915   0.0000       1.564694        42.5775 
 916   0.0000       1.568610        42.6840 
 917   0.0000       1.571047        42.7504 
 918   0.0000       1.573289        42.8114 
 919   0.0000       1.575085        42.8603 
 920   0.0000       1.577472        42.9252 
 921   0.0000       1.579969        42.9931 
 922   0.0000       1.585941        43.1557 
 923   0.0000       1.587009        43.1847 
 924   0.0000       1.591457        43.3058 
 925   0.0000       1.592335        43.3296 
 926   0.0000       1.596299        43.4375 
 927   0.0000       1.599579        43.5268 
 928   0.0000       1.601031        43.5663 
 929   0.0000       1.604238        43.6535 
 930   0.0000       1.607092        43.7312 
 931   0.0000       1.610398        43.8211 
 932   0.0000       1.616458        43.9861 
 933   0.0000       1.620421        44.0939 
 934   0.0000       1.624930        44.2166 
 935   0.0000       1.626920        44.2707 
 936   0.0000       1.629454        44.3397 
 937   0.0000       1.632330        44.4180 
 938   0.0000       1.636055        44.5193 
 939   0.0000       1.637317        44.5537 
 940   0.0000       1.643840        44.7311 
 941   0.0000       1.647232        44.8235 
 942   0.0000       1.651742        44.9462 
 943   0.0000       1.651926        44.9512 
 944   0.0000       1.655888        45.0590 
 945   0.0000       1.661695        45.2170 
 946   0.0000       1.663223        45.2586 
 947   0.0000       1.667542        45.3761 
 948   0.0000       1.671331        45.4792 
 949   0.0000       1.675726        45.5988 
 950   0.0000       1.678552        45.6757 
 951   0.0000       1.680629        45.7322 
 952   0.0000       1.686155        45.8826 
 953   0.0000       1.687569        45.9211 
 954   0.0000       1.690995        46.0143 
 955   0.0000       1.695640        46.1407 
 956   0.0000       1.701082        46.2888 
 957   0.0000       1.705979        46.4221 
 958   0.0000       1.708701        46.4961 
 959   0.0000       1.712668        46.6041 
 960   0.0000       1.716403        46.7057 
 961   0.0000       1.721200        46.8362 
 962   0.0000       1.724196        46.9178 
 963   0.0000       1.727646        47.0116 
 964   0.0000       1.733133        47.1609 
 965   0.0000       1.737809        47.2882 
 966   0.0000       1.741312        47.3835 
 967   0.0000       1.744919        47.4817 
 968   0.0000       1.749038        47.5938 
 969   0.0000       1.751690        47.6659 
 970   0.0000       1.752700        47.6934 
 971   0.0000       1.754270        47.7361 
 972   0.0000       1.758162        47.8420 
 973   0.0000       1.762038        47.9475 
 974   0.0000       1.764978        48.0275 
 975   0.0000       1.767029        48.0833 
 976   0.0000       1.773485        48.2590 
 977   0.0000       1.778260        48.3889 
 978   0.0000       1.779994        48.4361 
 979   0.0000       1.781490        48.4768 
 980   0.0000       1.787831        48.6494 
 981   0.0000       1.790094        48.7109 
 982   0.0000       1.793342        48.7993 
 983   0.0000       1.798549        48.9410 
 984   0.0000       1.800388        48.9910 
 985   0.0000       1.802861        49.0583 
 986   0.0000       1.803411        49.0733 
 987   0.0000       1.807219        49.1769 
 988   0.0000       1.808540        49.2129 
 989   0.0000       1.810980        49.2793 
 990   0.0000       1.812977        49.3336 
 991   0.0000       1.816371        49.4260 
 992   0.0000       1.819677        49.5159 
 993   0.0000       1.822620        49.5960 
 994   0.0000       1.826089        49.6904 
 995   0.0000       1.827840        49.7381 
 996   0.0000       1.830619        49.8137 
 997   0.0000       1.832474        49.8641 
 998   0.0000       1.834495        49.9191 
 999   0.0000       1.838639        50.0319 
 1000   0.0000       1.839173        50.0464 
 1001   0.0000       1.842083        50.1256 
 1002   0.0000       1.848891        50.3109 
 1003   0.0000       1.849306        50.3222 
 1004   0.0000       1.851710        50.3876 
 1005   0.0000       1.853208        50.4284 
 1006   0.0000       1.858835        50.5815 
 1007   0.0000       1.860845        50.6362 
 1008   0.0000       1.864274        50.7295 
 1009   0.0000       1.864560        50.7373 
 1010   0.0000       1.868895        50.8552 
 1011   0.0000       1.871807        50.9344 
 1012   0.0000       1.872305        50.9480 
 1013   0.0000       1.874371        51.0042 
 1014   0.0000       1.875412        51.0326 
 1015   0.0000       1.876562        51.0639 
 1016   0.0000       1.880079        51.1596 
 1017   0.0000       1.881958        51.2107 
 1018   0.0000       1.884223        51.2723 
 1019   0.0000       1.887575        51.3635 
 1020   0.0000       1.890470        51.4423 
 1021   0.0000       1.892164        51.4884 
 1022   0.0000       1.892815        51.5061 
 1023   0.0000       1.895054        51.5670 
 1024   0.0000       1.896513        51.6067 
 1025   0.0000       1.898373        51.6573 
 1026   0.0000       1.901476        51.7418 
 1027   0.0000       1.904057        51.8120 
 1028   0.0000       1.911338        52.0102 
 1029   0.0000       1.912682        52.0467 
 1030   0.0000       1.914623        52.0995 
 1031   0.0000       1.915538        52.1244 
 1032   0.0000       1.916447        52.1492 
 1033   0.0000       1.920912        52.2707 
 1034   0.0000       1.921755        52.2936 
 1035   0.0000       1.923067        52.3293 
 1036   0.0000       1.926312        52.4176 
 1037   0.0000       1.926714        52.4285 
 1038   0.0000       1.928460        52.4761 
 1039   0.0000       1.930458        52.5304 
 1040   0.0000       1.932077        52.5745 
 1041   0.0000       1.937872        52.7322 
 1042   0.0000       1.938456        52.7481 
 1043   0.0000       1.938624        52.7526 
 1044   0.0000       1.941787        52.8387 
 1045   0.0000       1.942355        52.8542 
 1046   0.0000       1.944933        52.9243 
 1047   0.0000       1.947035        52.9815 
 1048   0.0000       1.949178        53.0398 
 1049   0.0000       1.951843        53.1124 
 1050   0.0000       1.954312        53.1795 
 1051   0.0000       1.957250        53.2595 
 1052   0.0000       1.958497        53.2934 
 1053   0.0000       1.959867        53.3307 
 1054   0.0000       1.961738        53.3816 
 1055   0.0000       1.965604        53.4868 
 1056   0.0000       1.967860        53.5482 
 1057   0.0000       1.968427        53.5636 
 1058   0.0000       1.969429        53.5909 
 1059   0.0000       1.972587        53.6768 
 1060   0.0000       1.973774        53.7091 
 1061   0.0000       1.975805        53.7644 
 1062   0.0000       1.976645        53.7872 
 1063   0.0000       1.977456        53.8093 
 1064   0.0000       1.979930        53.8766 
 1065   0.0000       1.981360        53.9155 
 1066   0.0000       1.982554        53.9480 
 1067   0.0000       1.986107        54.0447 
 1068   0.0000       1.988282        54.1039 
 1069   0.0000       1.990183        54.1556 
 1070   0.0000       1.994438        54.2714 
 1071   0.0000       1.996821        54.3363 
 1072   0.0000       1.997968        54.3675 
 1073   0.0000       2.002242        54.4838 
 1074   0.0000       2.004119        54.5348 
 1075   0.0000       2.005625        54.5758 
 1076   0.0000       2.006734        54.6060 
 1077   0.0000       2.008379        54.6508 
 1078   0.0000       2.010374        54.7051 
 1079   0.0000       2.012581        54.7651 
 1080   0.0000       2.014073        54.8057 
 1081   0.0000       2.016745        54.8784 
 1082   0.0000       2.018757        54.9332 
 1083   0.0000       2.020019        54.9675 
 1084   0.0000       2.023335        55.0578 
 1085   0.0000       2.024376        55.0861 
 1086   0.0000       2.026626        55.1473 
 1087   0.0000       2.029894        55.2362 
 1088   0.0000       2.031237        55.2728 
 1089   0.0000       2.033166        55.3252 
 1090   0.0000       2.035386        55.3857 
 1091   0.0000       2.038207        55.4624 
 1092   0.0000       2.039505        55.4978 
 1093   0.0000       2.040627        55.5283 
 1094   0.0000       2.041731        55.5583 
 1095   0.0000       2.045236        55.6537 
 1096   0.0000       2.046005        55.6746 
 1097   0.0000       2.049353        55.7657 
 1098   0.0000       2.050195        55.7886 
 1099   0.0000       2.052010        55.8380 
 1100   0.0000       2.055027        55.9201 
 1101   0.0000       2.057594        55.9900 
 1102   0.0000       2.058080        56.0032 
 1103   0.0000       2.060913        56.0803 
 1104   0.0000       2.062979        56.1365 
 1105   0.0000       2.064520        56.1784 
 1106   0.0000       2.066451        56.2310 
 1107   0.0000       2.067397        56.2567 
 1108   0.0000       2.071758        56.3754 
 1109   0.0000       2.072954        56.4079 
 1110   0.0000       2.073824        56.4316 
 1111   0.0000       2.075030        56.4644 
 1112   0.0000       2.077781        56.5393 
 1113   0.0000       2.079254        56.5794 
 1114   0.0000       2.082332        56.6631 
 1115   0.0000       2.083552        56.6963 
 1116   0.0000       2.086938        56.7885 
 1117   0.0000       2.088204        56.8229 
 1118   0.0000       2.091328        56.9079 
 1119   0.0000       2.092303        56.9345 
 1120   0.0000       2.095059        57.0095 
 1121   0.0000       2.096966        57.0613 
 1122   0.0000       2.098285        57.0972 
 1123   0.0000       2.099757        57.1373 
 1124   0.0000       2.101894        57.1955 
 1125   0.0000       2.103575        57.2412 
 1126   0.0000       2.105677        57.2984 
 1127   0.0000       2.106444        57.3192 
 1128   0.0000       2.110255        57.4230 
 1129   0.0000       2.111180        57.4481 
 1130   0.0000       2.112964        57.4967 
 1131   0.0000       2.113703        57.5168 
 1132   0.0000       2.115730        57.5719 
 1133   0.0000       2.117525        57.6208 
 1134   0.0000       2.121269        57.7227 
 1135   0.0000       2.122322        57.7513 
 1136   0.0000       2.122441        57.7546 
 1137   0.0000       2.124846        57.8200 
 1138   0.0000       2.127783        57.8999 
 1139   0.0000       2.130112        57.9633 
 1140   0.0000       2.130565        57.9756 
 1141   0.0000       2.131621        58.0044 
 1142   0.0000       2.135463        58.1089 
 1143   0.0000       2.136419        58.1349 
 1144   0.0000       2.139070        58.2071 
 1145   0.0000       2.139843        58.2281 
 1146   0.0000       2.142481        58.2999 
 1147   0.0000       2.144282        58.3489 
 1148   0.0000       2.145953        58.3944 
 1149   0.0000       2.147481        58.4359 
 1150   0.0000       2.149242        58.4838 
 1151   0.0000       2.151262        58.5388 
 1152   0.0000       2.153629        58.6032 
 1153   0.0000       2.154610        58.6299 
 1154   0.0000       2.156557        58.6829 
 1155   0.0000       2.158325        58.7310 
 1156   0.0000       2.160431        58.7883 
 1157   0.0000       2.162628        58.8481 
 1158   0.0000       2.164278        58.8930 
 1159   0.0000       2.166104        58.9427 
 1160   0.0000       2.167657        58.9849 
 1161   0.0000       2.168707        59.0135 
 1162   0.0000       2.171120        59.0792 
 1163   0.0000       2.174071        59.1595 
 1164   0.0000       2.175505        59.1985 
 1165   0.0000       2.176501        59.2256 
 1166   0.0000       2.178076        59.2685 
 1167   0.0000       2.181600        59.3644 
 1168   0.0000       2.183701        59.4215 
 1169   0.0000       2.186003        59.4842 
 1170   0.0000       2.186157        59.4884 
 1171   0.0000       2.188231        59.5448 
 1172   0.0000       2.189452        59.5780 
 1173   0.0000       2.190735        59.6129 
 1174   0.0000       2.195466        59.7417 
 1175   0.0000       2.195962        59.7552 
 1176   0.0000       2.197837        59.8062 
 1177   0.0000       2.200635        59.8823 
 1178   0.0000       2.202432        59.9312 
 1179   0.0000       2.204009        59.9741 
 1180   0.0000       2.204244        59.9805 
 1181   0.0000       2.209391        60.1206 
 1182   0.0000       2.211993        60.1914 
 1183   0.0000       2.213258        60.2258 
 1184   0.0000       2.214261        60.2531 
 1185   0.0000       2.216492        60.3138 
 1186   0.0000       2.219383        60.3925 
 1187   0.0000       2.219703        60.4012 
 1188   0.0000       2.222789        60.4852 
 1189   0.0000       2.223756        60.5115 
 1190   0.0000       2.225821        60.5677 
 1191   0.0000       2.229661        60.6722 
 1192   0.0000       2.229889        60.6784 
 1193   0.0000       2.232695        60.7547 
 1194   0.0000       2.235413        60.8287 
 1195   0.0000       2.236556        60.8598 
 1196   0.0000       2.237918        60.8968 
 1197   0.0000       2.240279        60.9611 
 1198   0.0000       2.243904        61.0597 
 1199   0.0000       2.245115        61.0927 
 1200   0.0000       2.246234        61.1231 
 1201   0.0000       2.248564        61.1866 
 1202   0.0000       2.251052        61.2542 
 1203   0.0000       2.251276        61.2603 
 1204   0.0000       2.253300        61.3154 
 1205   0.0000       2.255642        61.3791 
 1206   0.0000       2.256723        61.4086 
 1207   0.0000       2.261287        61.5328 
 1208   0.0000       2.262369        61.5622 
 1209   0.0000       2.263376        61.5896 
 1210   0.0000       2.264229        61.6128 
 1211   0.0000       2.267025        61.6889 
 1212   0.0000       2.269658        61.7605 
 1213   0.0000       2.272122        61.8276 
 1214   0.0000       2.273141        61.8553 
 1215   0.0000       2.277622        61.9772 
 1216   0.0000       2.278889        62.0117 
 1217   0.0000       2.282045        62.0976 
 1218   0.0000       2.284714        62.1702 
 1219   0.0000       2.286883        62.2293 
 1220   0.0000       2.289562        62.3021 
 1221   0.0000       2.289739        62.3070 
 1222   0.0000       2.293571        62.4112 
 1223   0.0000       2.297050        62.5059 
 1224   0.0000       2.298078        62.5339 
 1225   0.0000       2.301394        62.6241 
 1226   0.0000       2.305370        62.7323 
 1227   0.0000       2.306202        62.7549 
 1228   0.0000       2.307738        62.7967 
 1229   0.0000       2.309466        62.8438 
 1230   0.0000       2.310965        62.8846 
 1231   0.0000       2.314575        62.9828 
 1232   0.0000       2.317449        63.0610 
 1233   0.0000       2.319574        63.1188 
 1234   0.0000       2.322877        63.2087 
 1235   0.0000       2.324834        63.2620 
 1236   0.0000       2.325721        63.2861 
 1237   0.0000       2.329514        63.3893 
 1238   0.0000       2.331523        63.4440 
 1239   0.0000       2.334559        63.5266 
 1240   0.0000       2.336873        63.5896 
 1241   0.0000       2.337781        63.6142 
 1242   0.0000       2.338847        63.6433 
 1243   0.0000       2.341022        63.7024 
 1244   0.0000       2.345775        63.8318 
 1245   0.0000       2.347582        63.8810 
 1246   0.0000       2.348537        63.9070 
 1247   0.0000       2.351105        63.9768 
 1248   0.0000       2.355290        64.0907 
 1249   0.0000       2.357309        64.1456 
 1250   0.0000       2.361455        64.2585 
 1251   0.0000       2.363731        64.3204 
 1252   0.0000       2.366153        64.3863 
 1253   0.0000       2.368426        64.4482 
 1254   0.0000       2.372302        64.5536 
 1255   0.0000       2.374832        64.6225 
 1256   0.0000       2.377294        64.6895 
 1257   0.0000       2.379867        64.7595 
 1258   0.0000       2.382769        64.8384 
 1259   0.0000       2.384978        64.8985 
 1260   0.0000       2.387614        64.9703 
 1261   0.0000       2.391316        65.0710 
 1262   0.0000       2.392960        65.1158 
 1263   0.0000       2.394933        65.1694 
 1264   0.0000       2.395670        65.1895 
 1265   0.0000       2.398680        65.2714 
 1266   0.0000       2.400697        65.3263 
 1267   0.0000       2.404417        65.4275 
 1268   0.0000       2.407531        65.5123 
 1269   0.0000       2.413484        65.6742 
 1270   0.0000       2.413772        65.6821 
 1271   0.0000       2.415953        65.7414 
 1272   0.0000       2.419191        65.8295 
 1273   0.0000       2.421441        65.8908 
 1274   0.0000       2.426213        66.0206 
 1275   0.0000       2.426912        66.0396 
 1276   0.0000       2.430026        66.1244 
 1277   0.0000       2.434274        66.2400 
 1278   0.0000       2.435698        66.2787 
 1279   0.0000       2.436582        66.3028 
 1280   0.0000       2.441771        66.4440 
 1281   0.0000       2.443476        66.4904 
 1282   0.0000       2.444762        66.5254 
 1283   0.0000       2.446518        66.5731 
 1284   0.0000       2.450818        66.6902 
 1285   0.0000       2.453897        66.7739 
 1286   0.0000       2.456372        66.8413 
 1287   0.0000       2.460811        66.9621 
 1288   0.0000       2.463948        67.0474 
 1289   0.0000       2.465696        67.0950 
 1290   0.0000       2.467716        67.1500 
 1291   0.0000       2.470144        67.2160 
 1292   0.0000       2.472784        67.2879 
 1293   0.0000       2.475932        67.3735 
 1294   0.0000       2.477971        67.4290 
 1295   0.0000       2.482898        67.5631 
 1296   0.0000       2.485990        67.6472 
 1297   0.0000       2.488290        67.7098 
 1298   0.0000       2.491184        67.7886 
 1299   0.0000       2.492633        67.8280 
 1300   0.0000       2.496093        67.9221 
 1301   0.0000       2.498208        67.9797 
 1302   0.0000       2.499864        68.0248 
 1303   0.0000       2.503044        68.1113 
 1304   0.0000       2.508662        68.2642 
 1305   0.0000       2.513430        68.3939 
 1306   0.0000       2.514369        68.4195 
 1307   0.0000       2.516957        68.4899 
 1308   0.0000       2.522912        68.6519 
 1309   0.0000       2.525675        68.7271 
 1310   0.0000       2.527297        68.7712 
 1311   0.0000       2.529335        68.8267 
 1312   0.0000       2.530995        68.8719 
 1313   0.0000       2.535468        68.9936 
 1314   0.0000       2.537775        69.0564 
 1315   0.0000       2.540324        69.1257 
 1316   0.0000       2.546010        69.2805 
 1317   0.0000       2.548426        69.3462 
 1318   0.0000       2.551365        69.4262 
 1319   0.0000       2.553178        69.4755 
 1320   0.0000       2.559053        69.6354 
 1321   0.0000       2.561572        69.7039 
 1322   0.0000       2.566385        69.8349 
 1323   0.0000       2.567682        69.8702 
 1324   0.0000       2.570143        69.9371 
 1325   0.0000       2.570483        69.9464 
 1326   0.0000       2.575864        70.0928 
 1327   0.0000       2.576800        70.1183 
 1328   0.0000       2.586789        70.3901 
 1329   0.0000       2.587271        70.4032 
 1330   0.0000       2.594800        70.6081 
 1331   0.0000       2.598924        70.7203 
 1332   0.0000       2.603110        70.8342 
 1333   0.0000       2.608177        70.9721 
 1334   0.0000       2.609439        71.0064 
 1335   0.0000       2.612754        71.0967 
 1336   0.0000       2.618644        71.2569 
 1337   0.0000       2.622883        71.3723 
 1338   0.0000       2.625323        71.4387 
 1339   0.0000       2.626487        71.4704 
 1340   0.0000       2.635217        71.7079 
 1341   0.0000       2.637762        71.7772 
 1342   0.0000       2.644045        71.9481 
 1343   0.0000       2.648291        72.0637 
 1344   0.0000       2.656173        72.2781 
 1345   0.0000       2.659351        72.3646 
 1346   0.0000       2.662059        72.4383 
 1347   0.0000       2.665838        72.5411 
 1348   0.0000       2.674644        72.7808 
 1349   0.0000       2.679308        72.9077 
 1350   0.0000       2.683094        73.0107 
 1351   0.0000       2.689533        73.1859 
 1352   0.0000       2.692789        73.2745 
 1353   0.0000       2.700130        73.4743 
 1354   0.0000       2.703898        73.5768 
 1355   0.0000       2.708622        73.7053 
 1356   0.0000       2.711382        73.7805 
 1357   0.0000       2.719483        74.0009 
 1358   0.0000       2.725105        74.1539 
 1359   0.0000       2.727165        74.2099 
 1360   0.0000       2.738674        74.5231 
 1361   0.0000       2.745390        74.7059 
 1362   0.0000       2.750269        74.8386 
 1363   0.0000       2.753781        74.9342 
 1364   0.0000       2.758936        75.0745 
 1365   0.0000       2.764568        75.2277 
 1366   0.0000       2.768890        75.3453 
 1367   0.0000       2.778216        75.5991 
 1368   0.0000       2.784240        75.7630 
 1369   0.0000       2.788591        75.8814 
 1370   0.0000       2.797223        76.1163 
 1371   0.0000       2.800557        76.2070 
 1372   0.0000       2.802462        76.2589 
 1373   0.0000       2.812868        76.5420 
 1374   0.0000       2.822895        76.8149 
 1375   0.0000       2.832974        77.0892 
 1376   0.0000       2.850596        77.5687 
 1377   0.0000       2.859897        77.8217 
 1378   0.0000       2.869417        78.0808 
 1379   0.0000       2.873349        78.1878 
 1380   0.0000       2.886344        78.5414 
 1381   0.0000       2.891365        78.6780 
 1382   0.0000       2.898430        78.8703 
 1383   0.0000       2.904571        79.0374 
 1384   0.0000       2.920837        79.4800 
 1385   0.0000       2.924451        79.5784 
 1386   0.0000       2.938947        79.9728 
 1387   0.0000       2.961861        80.5963 
 1388   0.0000       2.968513        80.7773 
 1389   0.0000       2.977875        81.0321 
 1390   0.0000       2.997935        81.5780 
 1391   0.0000       3.007487        81.8379 
 1392   0.0000       3.041754        82.7703 
 1393   0.0000       3.054734        83.1235 
 1394   0.0000       3.069824        83.5342 
 1395   0.0000       3.082552        83.8805 
 1396   0.0000       3.089425        84.0675 
 1397   0.0000       3.114140        84.7401 
 1398   0.0000       3.143927        85.5506 
 1399   0.0000       3.157090        85.9088 
 1400   0.0000       3.161305        86.0235 
 1401   0.0000       3.170620        86.2770 
 1402   0.0000       3.177744        86.4708 
 1403   0.0000       3.186000        86.6955 
 1404   0.0000       3.193971        86.9124 
 1405   0.0000       3.195330        86.9494 
 1406   0.0000       3.207384        87.2774 
 1407   0.0000       3.220085        87.6230 
 1408   0.0000       3.230205        87.8983 
 1409   0.0000       3.246839        88.3510 
 1410   0.0000       3.252299        88.4995 
 1411   0.0000       3.254002        88.5459 
 1412   0.0000       3.255897        88.5975 
 1413   0.0000       3.262139        88.7673 
 1414   0.0000       3.268055        88.9283 
 1415   0.0000       3.276034        89.1454 
 1416   0.0000       3.281581        89.2964 
 1417   0.0000       3.287884        89.4679 
 1418   0.0000       3.292487        89.5931 
 1419   0.0000       3.300164        89.8020 
 1420   0.0000       3.304830        89.9290 
 1421   0.0000       3.308726        90.0350 
 1422   0.0000       3.313458        90.1638 
 1423   0.0000       3.317263        90.2673 
 1424   0.0000       3.318618        90.3042 
 1425   0.0000       3.325958        90.5039 
 1426   0.0000       3.326684        90.5237 
 1427   0.0000       3.327291        90.5402 
 1428   0.0000       3.330445        90.6260 
 1429   0.0000       3.339784        90.8802 
 1430   0.0000       3.340513        90.9000 
 1431   0.0000       3.344803        91.0167 
 1432   0.0000       3.348588        91.1197 
 1433   0.0000       3.351088        91.1877 
 1434   0.0000       3.352804        91.2344 
 1435   0.0000       3.354848        91.2901 
 1436   0.0000       3.359414        91.4143 
 1437   0.0000       3.362521        91.4988 
 1438   0.0000       3.364424        91.5506 
 1439   0.0000       3.368162        91.6523 
 1440   0.0000       3.370878        91.7263 
 1441   0.0000       3.374274        91.8187 
 1442   0.0000       3.379578        91.9630 
 1443   0.0000       3.380808        91.9965 
 1444   0.0000       3.382241        92.0355 
 1445   0.0000       3.386456        92.1501 
 1446   0.0000       3.390661        92.2646 
 1447   0.0000       3.393150        92.3323 
 1448   0.0000       3.398980        92.4910 
 1449   0.0000       3.401619        92.5628 
 1450   0.0000       3.405651        92.6725 
 1451   0.0000       3.407666        92.7273 
 1452   0.0000       3.410010        92.7911 
 1453   0.0000       3.416228        92.9603 
 1454   0.0000       3.418386        93.0190 
 1455   0.0000       3.422478        93.1304 
 1456   0.0000       3.425638        93.2163 
 1457   0.0000       3.432660        93.4074 
 1458   0.0000       3.433958        93.4427 
 1459   0.0000       3.437829        93.5481 
 1460   0.0000       3.441891        93.6586 
 1461   0.0000       3.442621        93.6785 
 1462   0.0000       3.443269        93.6961 
 1463   0.0000       3.445674        93.7616 
 1464   0.0000       3.446968        93.7968 
 1465   0.0000       3.450419        93.8907 
 1466   0.0000       3.455170        94.0200 
 1467   0.0000       3.456916        94.0675 
 1468   0.0000       3.459169        94.1288 
 1469   0.0000       3.463535        94.2476 
 1470   0.0000       3.467601        94.3582 
 1471   0.0000       3.470501        94.4371 
 1472   0.0000       3.472858        94.5013 
 1473   0.0000       3.478202        94.6467 
 1474   0.0000       3.479598        94.6847 
 1475   0.0000       3.481572        94.7384 
 1476   0.0000       3.486391        94.8695 
 1477   0.0000       3.486659        94.8768 
 1478   0.0000       3.489041        94.9416 
 1479   0.0000       3.490805        94.9896 
 1480   0.0000       3.494920        95.1016 
 1481   0.0000       3.498419        95.1968 
 1482   0.0000       3.500320        95.2485 
 1483   0.0000       3.502264        95.3014 
 1484   0.0000       3.506584        95.4190 
 1485   0.0000       3.508440        95.4695 
 1486   0.0000       3.509275        95.4922 
 1487   0.0000       3.513326        95.6025 
 1488   0.0000       3.514169        95.6254 
 1489   0.0000       3.517090        95.7049 
 1490   0.0000       3.519975        95.7834 
 1491   0.0000       3.525593        95.9363 
 1492   0.0000       3.527612        95.9912 
 1493   0.0000       3.528945        96.0275 
 1494   0.0000       3.537093        96.2492 
 1495   0.0000       3.539179        96.3059 
 1496   0.0000       3.541399        96.3664 
 1497   0.0000       3.545242        96.4710 
 1498   0.0000       3.552382        96.6652 
 1499   0.0000       3.555201        96.7419 
 1500   0.0000       3.557394        96.8016 
 1501   0.0000       3.560971        96.8990 
 1502   0.0000       3.564291        96.9893 
 1503   0.0000       3.564754        97.0019 
 1504   0.0000       3.569381        97.1278 
 1505   0.0000       3.572892        97.2233 
 1506   0.0000       3.573369        97.2363 
 1507   0.0000       3.577434        97.3469 
 1508   0.0000       3.581346        97.4534 
 1509   0.0000       3.586030        97.5808 
 1510   0.0000       3.586345        97.5894 
 1511   0.0000       3.591562        97.7314 
 1512   0.0000       3.596729        97.8720 
 1513   0.0000       3.597599        97.8956 
 1514   0.0000       3.603453        98.0549 
 1515   0.0000       3.605683        98.1156 
 1516   0.0000       3.607529        98.1659 
 1517   0.0000       3.609069        98.2078 
 1518   0.0000       3.612171        98.2922 
 1519   0.0000       3.614536        98.3565 
 1520   0.0000       3.619478        98.4910 
 1521   0.0000       3.620434        98.5170 
 1522   0.0000       3.623558        98.6020 
 1523   0.0000       3.626251        98.6753 
 1524   0.0000       3.632240        98.8383 
 1525   0.0000       3.635031        98.9142 
 1526   0.0000       3.637832        98.9904 
 1527   0.0000       3.639666        99.0403 
 1528   0.0000       3.641536        99.0912 
 1529   0.0000       3.642796        99.1255 
 1530   0.0000       3.646746        99.2330 
 1531   0.0000       3.652472        99.3888 
 1532   0.0000       3.655399        99.4685 
 1533   0.0000       3.657893        99.5363 
 1534   0.0000       3.659706        99.5857 
 1535   0.0000       3.661382        99.6313 
 1536   0.0000       3.662382        99.6585 
 1537   0.0000       3.666139        99.7607 
 1538   0.0000       3.668054        99.8128 
 1539   0.0000       3.672500        99.9338 
 1540   0.0000       3.677369       100.0663 
 1541   0.0000       3.680061       100.1396 
 1542   0.0000       3.681198       100.1705 
 1543   0.0000       3.683765       100.2403 
 1544   0.0000       3.686627       100.3182 
 1545   0.0000       3.689829       100.4054 
 1546   0.0000       3.693650       100.5093 
 1547   0.0000       3.698068       100.6295 
 1548   0.0000       3.700302       100.6903 
 1549   0.0000       3.704488       100.8042 
 1550   0.0000       3.707246       100.8793 
 1551   0.0000       3.708603       100.9162 
 1552   0.0000       3.711311       100.9899 
 1553   0.0000       3.715835       101.1130 
 1554   0.0000       3.717571       101.1603 
 1555   0.0000       3.720574       101.2420 
 1556   0.0000       3.721849       101.2767 
 1557   0.0000       3.724977       101.3618 
 1558   0.0000       3.729493       101.4847 
 1559   0.0000       3.734474       101.6202 
 1560   0.0000       3.736109       101.6647 
 1561   0.0000       3.739422       101.7549 
 1562   0.0000       3.745784       101.9280 
 1563   0.0000       3.749938       102.0410 
 1564   0.0000       3.753258       102.1314 
 1565   0.0000       3.756816       102.2282 
 1566   0.0000       3.759984       102.3144 
 1567   0.0000       3.762028       102.3700 
 1568   0.0000       3.764689       102.4424 
 1569   0.0000       3.766597       102.4943 
 1570   0.0000       3.773310       102.6770 
 1571   0.0000       3.774682       102.7143 
 1572   0.0000       3.775915       102.7479 
 1573   0.0000       3.776559       102.7654 
 1574   0.0000       3.780629       102.8761 
 1575   0.0000       3.782520       102.9276 
 1576   0.0000       3.783804       102.9625 
 1577   0.0000       3.787252       103.0564 
 1578   0.0000       3.794296       103.2480 
 1579   0.0000       3.796880       103.3183 
 1580   0.0000       3.801678       103.4489 
 1581   0.0000       3.803128       103.4884 
 1582   0.0000       3.805305       103.5476 
 1583   0.0000       3.809806       103.6701 
 1584   0.0000       3.811336       103.7117 
 1585   0.0000       3.812800       103.7516 
 1586   0.0000       3.817920       103.8909 
 1587   0.0000       3.818680       103.9116 
 1588   0.0000       3.823683       104.0477 
 1589   0.0000       3.826218       104.1167 
 1590   0.0000       3.827683       104.1565 
 1591   0.0000       3.830093       104.2221 
 1592   0.0000       3.832064       104.2758 
 1593   0.0000       3.836043       104.3840 
 1594   0.0000       3.840426       104.5033 
 1595   0.0000       3.844718       104.6201 
 1596   0.0000       3.845918       104.6528 
 1597   0.0000       3.847632       104.6994 
 1598   0.0000       3.850974       104.7903 
 1599   0.0000       3.853651       104.8632 
 1600   0.0000       3.857768       104.9752 
 1601   0.0000       3.861058       105.0647 
 1602   0.0000       3.864039       105.1459 
 1603   0.0000       3.866012       105.1995 
 1604   0.0000       3.867081       105.2286 
 1605   0.0000       3.869895       105.3052 
 1606   0.0000       3.871821       105.3576 
 1607   0.0000       3.873951       105.4156 
 1608   0.0000       3.880057       105.5817 
 1609   0.0000       3.880653       105.5979 
 1610   0.0000       3.883173       105.6665 
 1611   0.0000       3.883598       105.6781 
 1612   0.0000       3.887929       105.7959 
 1613   0.0000       3.891253       105.8864 
 1614   0.0000       3.892077       105.9088 
 1615   0.0000       3.893613       105.9506 
 1616   0.0000       3.897000       106.0428 
 1617   0.0000       3.899840       106.1200 
 1618   0.0000       3.901384       106.1620 
 1619   0.0000       3.903388       106.2166 
 1620   0.0000       3.905782       106.2817 
 1621   0.0000       3.906454       106.3000 
 1622   0.0000       3.907686       106.3335 
 1623   0.0000       3.911524       106.4380 
 1624   0.0000       3.915892       106.5568 
 1625   0.0000       3.916913       106.5846 
 1626   0.0000       3.919708       106.6607 
 1627   0.0000       3.920828       106.6911 
 1628   0.0000       3.921582       106.7117 
 1629   0.0000       3.923796       106.7719 
 1630   0.0000       3.926528       106.8462 
 1631   0.0000       3.928174       106.8910 
 1632   0.0000       3.930698       106.9597 
 1633   0.0000       3.933579       107.0381 
 1634   0.0000       3.935371       107.0869 
 1635   0.0000       3.937891       107.1554 
 1636   0.0000       3.940188       107.2180 
 1637   0.0000       3.943456       107.3069 
 1638   0.0000       3.945530       107.3633 
 1639   0.0000       3.948314       107.4391 
 1640   0.0000       3.949289       107.4656 
 1641   0.0000       3.953252       107.5734 
 1642   0.0000       3.955161       107.6254 
 1643   0.0000       3.955914       107.6459 
 1644   0.0000       3.959408       107.7410 
 1645   0.0000       3.960847       107.7801 
 1646   0.0000       3.963766       107.8596 
 1647   0.0000       3.964651       107.8836 
 1648   0.0000       3.967540       107.9623 
 1649   0.0000       3.969744       108.0222 
 1650   0.0000       3.972073       108.0856 
 1651   0.0000       3.972930       108.1089 
 1652   0.0000       3.974951       108.1639 
 1653   0.0000       3.977679       108.2382 
 1654   0.0000       3.979690       108.2929 
 1655   0.0000       3.983400       108.3938 
 1656   0.0000       3.984260       108.4172 
 1657   0.0000       3.985296       108.4454 
 1658   0.0000       3.989731       108.5661 
 1659   0.0000       3.992007       108.6280 
 1660   0.0000       3.993741       108.6752 
 1661   0.0000       3.996286       108.7445 
 1662   0.0000       3.997781       108.7852 
 1663   0.0000       4.000657       108.8634 
 1664   0.0000       4.002329       108.9089 
 1665   0.0000       4.004844       108.9773 
 1666   0.0000       4.007262       109.0431 
 1667   0.0000       4.011421       109.1563 
 1668   0.0000       4.012841       109.1949 
 1669   0.0000       4.015174       109.2584 
 1670   0.0000       4.016293       109.2889 
 1671   0.0000       4.018460       109.3478 
 1672   0.0000       4.019992       109.3895 
 1673   0.0000       4.022901       109.4687 
 1674   0.0000       4.025846       109.5488 
 1675   0.0000       4.026552       109.5681 
 1676   0.0000       4.031074       109.6911 
 1677   0.0000       4.031941       109.7147 
 1678   0.0000       4.035171       109.8026 
 1679   0.0000       4.040280       109.9416 
 1680   0.0000       4.041717       109.9807 
 1681   0.0000       4.043470       110.0284 
 1682   0.0000       4.045779       110.0912 
 1683   0.0000       4.048055       110.1532 
 1684   0.0000       4.050690       110.2249 
 1685   0.0000       4.054822       110.3373 
 1686   0.0000       4.058084       110.4261 
 1687   0.0000       4.060062       110.4799 
 1688   0.0000       4.061209       110.5111 
 1689   0.0000       4.064220       110.5930 
 1690   0.0000       4.065410       110.6254 
 1691   0.0000       4.068180       110.7008 
 1692   0.0000       4.070156       110.7546 
 1693   0.0000       4.072401       110.8157 
 1694   0.0000       4.073511       110.8459 
 1695   0.0000       4.076699       110.9326 
 1696   0.0000       4.078169       110.9726 
 1697   0.0000       4.079616       111.0120 
 1698   0.0000       4.081433       111.0614 
 1699   0.0000       4.081626       111.0667 
 1700   0.0000       4.085499       111.1721 
 1701   0.0000       4.087399       111.2238 
 1702   0.0000       4.089731       111.2872 
 1703   0.0000       4.090296       111.3026 
 1704   0.0000       4.090905       111.3192 
 1705   0.0000       4.091760       111.3425 
 1706   0.0000       4.092977       111.3756 
 1707   0.0000       4.096181       111.4628 
 1708   0.0000       4.098633       111.5295 
 1709   0.0000       4.098692       111.5311 
 1710   0.0000       4.104898       111.6999 
 1711   0.0000       4.106327       111.7388 
 1712   0.0000       4.107645       111.7747 
 1713   0.0000       4.110978       111.8654 
 1714   0.0000       4.112898       111.9176 
 1715   0.0000       4.114347       111.9571 
 1716   0.0000       4.119110       112.0867 
 1717   0.0000       4.123129       112.1960 
 1718   0.0000       4.123677       112.2110 
 1719   0.0000       4.125105       112.2498 
 1720   0.0000       4.126602       112.2905 
 1721   0.0000       4.129104       112.3586 
 1722   0.0000       4.130842       112.4059 
 1723   0.0000       4.132782       112.4587 
 1724   0.0000       4.133913       112.4895 
 1725   0.0000       4.137489       112.5868 
 1726   0.0000       4.137564       112.5888 
 1727   0.0000       4.140815       112.6773 
 1728   0.0000       4.146932       112.8438 
 1729   0.0000       4.148632       112.8900 
 1730   0.0000       4.150080       112.9294 
 1731   0.0000       4.151976       112.9810 
 1732   0.0000       4.153909       113.0336 
 1733   0.0000       4.157352       113.1273 
 1734   0.0000       4.158734       113.1649 
 1735   0.0000       4.160516       113.2134 
 1736   0.0000       4.162245       113.2604 
 1737   0.0000       4.164793       113.3298 
 1738   0.0000       4.167483       113.4030 
 1739   0.0000       4.170178       113.4763 
 1740   0.0000       4.171427       113.5103 
 1741   0.0000       4.173370       113.5632 
 1742   0.0000       4.176654       113.6525 
 1743   0.0000       4.179262       113.7235 
 1744   0.0000       4.183022       113.8258 
 1745   0.0000       4.184849       113.8755 
 1746   0.0000       4.190283       114.0234 
 1747   0.0000       4.192391       114.0808 
 1748   0.0000       4.195076       114.1538 
 1749   0.0000       4.200669       114.3060 
 1750   0.0000       4.206432       114.4628 
 1751   0.0000       4.208278       114.5131 
 1752   0.0000       4.211803       114.6090 
 1753   0.0000       4.214344       114.6781 
 1754   0.0000       4.215684       114.7146 
 1755   0.0000       4.218440       114.7896 
 1756   0.0000       4.219228       114.8110 
 1757   0.0000       4.223334       114.9228 
 1758   0.0000       4.226752       115.0158 
 1759   0.0000       4.227552       115.0375 
 1760   0.0000       4.228725       115.0695 
 1761   0.0000       4.231924       115.1565 
 1762   0.0000       4.236958       115.2935 
 1763   0.0000       4.238348       115.3313 
 1764   0.0000       4.242864       115.4542 
 1765   0.0000       4.246897       115.5640 
 1766   0.0000       4.248509       115.6078 
 1767   0.0000       4.249654       115.6390 
 1768   0.0000       4.251936       115.7010 
 1769   0.0000       4.253696       115.7490 
 1770   0.0000       4.257565       115.8542 
 1771   0.0000       4.261394       115.9584 
 1772   0.0000       4.262140       115.9787 
 1773   0.0000       4.266177       116.0886 
 1774   0.0000       4.270155       116.1968 
 1775   0.0000       4.272888       116.2712 
 1776   0.0000       4.275983       116.3554 
 1777   0.0000       4.278157       116.4146 
 1778   0.0000       4.279433       116.4493 
 1779   0.0000       4.283824       116.5688 
 1780   0.0000       4.284489       116.5869 
 1781   0.0000       4.287704       116.6743 
 1782   0.0000       4.290194       116.7421 
 1783   0.0000       4.294430       116.8574 
 1784   0.0000       4.297001       116.9273 
 1785   0.0000       4.301743       117.0564 
 1786   0.0000       4.304665       117.1359 
 1787   0.0000       4.311287       117.3161 
 1788   0.0000       4.312663       117.3535 
 1789   0.0000       4.314438       117.4018 
 1790   0.0000       4.317392       117.4822 
 1791   0.0000       4.321167       117.5849 
 1792   0.0000       4.325840       117.7121 
 1793   0.0000       4.328967       117.7972 
 1794   0.0000       4.333433       117.9187 
 1795   0.0000       4.339341       118.0795 
 1796   0.0000       4.340500       118.1110 
 1797   0.0000       4.351116       118.3999 
 1798   0.0000       4.353306       118.4595 
 1799   0.0000       4.358627       118.6043 
 1800   0.0000       4.362724       118.7158 
 1801   0.0000       4.366527       118.8192 
 1802   0.0000       4.368916       118.8842 
 1803   0.0000       4.372540       118.9829 
 1804   0.0000       4.375940       119.0754 
 1805   0.0000       4.382721       119.2599 
 1806   0.0000       4.386633       119.3663 
 1807   0.0000       4.390526       119.4723 
 1808   0.0000       4.393784       119.5610 
 1809   0.0000       4.399955       119.7289 
 1810   0.0000       4.402460       119.7970 
 1811   0.0000       4.404409       119.8501 
 1812   0.0000       4.407886       119.9447 
 1813   0.0000       4.409251       119.9818 
 1814   0.0000       4.413455       120.0962 
 1815   0.0000       4.420513       120.2883 
 1816   0.0000       4.424074       120.3852 
 1817   0.0000       4.426559       120.4528 
 1818   0.0000       4.434301       120.6635 
 1819   0.0000       4.440869       120.8422 
 1820   0.0000       4.443239       120.9067 
 1821   0.0000       4.446513       120.9958 
 1822   0.0000       4.458768       121.3292 
 1823   0.0000       4.461548       121.4049 
 1824   0.0000       4.463502       121.4581 
 1825   0.0000       4.472766       121.7102 
 1826   0.0000       4.475778       121.7921 
 1827   0.0000       4.476068       121.8000 
 1828   0.0000       4.481624       121.9512 
 1829   0.0000       4.483450       122.0009 
 1830   0.0000       4.485760       122.0637 
 1831   0.0000       4.490115       122.1822 
 1832   0.0000       4.493842       122.2837 
 1833   0.0000       4.497517       122.3836 
 1834   0.0000       4.502552       122.5207 
 1835   0.0000       4.509614       122.7128 
 1836   0.0000       4.513890       122.8292 
 1837   0.0000       4.517778       122.9350 
 1838   0.0000       4.524066       123.1061 
 1839   0.0000       4.528000       123.2131 
 1840   0.0000       4.529553       123.2554 
 1841   0.0000       4.533345       123.3586 
 1842   0.0000       4.546297       123.7110 
 1843   0.0000       4.548996       123.7845 
 1844   0.0000       4.557468       124.0150 
 1845   0.0000       4.563353       124.1752 
 1846   0.0000       4.566284       124.2549 
 1847   0.0000       4.568794       124.3232 
 1848   0.0000       4.574944       124.4905 
 1849   0.0000       4.588187       124.8509 
 1850   0.0000       4.590808       124.9222 
 1851   0.0000       4.599255       125.1521 
 1852   0.0000       4.600661       125.1904 
 1853   0.0000       4.608038       125.3911 
 1854   0.0000       4.615402       125.5915 
 1855   0.0000       4.616864       125.6313 
 1856   0.0000       4.623299       125.8063 
 1857   0.0000       4.628149       125.9383 
 1858   0.0000       4.633684       126.0889 
 1859   0.0000       4.643863       126.3659 
 1860   0.0000       4.648994       126.5055 
 1861   0.0000       4.656849       126.7193 
 1862   0.0000       4.659644       126.7954 
 1863   0.0000       4.665410       126.9523 
 1864   0.0000       4.670241       127.0837 
 1865   0.0000       4.673131       127.1624 
 1866   0.0000       4.673675       127.1772 
 1867   0.0000       4.679099       127.3248 
 1868   0.0000       4.679503       127.3358 
 1869   0.0000       4.681741       127.3966 
 1870   0.0000       4.683565       127.4463 
 1871   0.0000       4.688704       127.5861 
 1872   0.0000       4.693224       127.7091 
 1873   0.0000       4.696982       127.8114 
 1874   0.0000       4.703175       127.9799 
 1875   0.0000       4.708291       128.1191 
 1876   0.0000       4.713018       128.2477 
 1877   0.0000       4.714556       128.2896 
 1878   0.0000       4.720274       128.4452 
 1879   0.0000       4.724990       128.5735 
 1880   0.0000       4.728222       128.6615 
 1881   0.0000       4.729970       128.7090 
 1882   0.0000       4.732060       128.7659 
 1883   0.0000       4.736693       128.8920 
 1884   0.0000       4.737772       128.9213 
 1885   0.0000       4.740552       128.9970 
 1886   0.0000       4.742215       129.0422 
 1887   0.0000       4.747552       129.1875 
 1888   0.0000       4.749353       129.2365 
 1889   0.0000       4.751640       129.2987 
 1890   0.0000       4.752977       129.3351 
 1891   0.0000       4.755265       129.3973 
 1892   0.0000       4.758940       129.4973 
 1893   0.0000       4.763221       129.6138 
 1894   0.0000       4.763928       129.6331 
 1895   0.0000       4.768423       129.7554 
 1896   0.0000       4.771184       129.8305 
 1897   0.0000       4.774245       129.9138 
 1898   0.0000       4.776963       129.9878 
 1899   0.0000       4.780626       130.0875 
 1900   0.0000       4.781717       130.1171 
 1901   0.0000       4.784386       130.1898 
 1902   0.0000       4.784860       130.2027 
 1903   0.0000       4.785423       130.2180 
 1904   0.0000       4.792017       130.3974 
 1905   0.0000       4.794033       130.4523 
 1906   0.0000       4.796677       130.5242 
 1907   0.0000       4.798710       130.5796 
 1908   0.0000       4.800271       130.6220 
 1909   0.0000       4.801479       130.6549 
 1910   0.0000       4.804346       130.7329 
 1911   0.0000       4.806758       130.7985 
 1912   0.0000       4.808731       130.8522 
 1913   0.0000       4.812352       130.9507 
 1914   0.0000       4.814073       130.9976 
 1915   0.0000       4.818576       131.1201 
 1916   0.0000       4.822071       131.2152 
 1917   0.0000       4.825354       131.3046 
 1918   0.0000       4.826613       131.3388 
 1919   0.0000       4.830479       131.4440 
 1920   0.0000       4.831577       131.4739 
 1921   0.0000       4.835223       131.5731 
 1922   0.0000       4.838896       131.6730 
 1923   0.0000       4.839788       131.6973 
 1924   0.0000       4.842285       131.7653 
 1925   0.0000       4.848057       131.9223 
 1926   0.0000       4.850168       131.9798 
 1927   0.0000       4.856360       132.1483 
 1928   0.0000       4.861524       132.2888 
 1929   0.0000       4.862566       132.3172 
 1930   0.0000       4.864678       132.3746 
 1931   0.0000       4.866124       132.4140 
 1932   0.0000       4.868313       132.4735 
 1933   0.0000       4.872826       132.5963 
 1934   0.0000       4.876046       132.6840 
 1935   0.0000       4.880750       132.8120 
 1936   0.0000       4.884918       132.9254 
 1937   0.0000       4.888372       133.0194 
 1938   0.0000       4.892827       133.1406 
 1939   0.0000       4.895408       133.2108 
 1940   0.0000       4.899236       133.3150 
 1941   0.0000       4.900979       133.3624 
 1942   0.0000       4.903923       133.4425 
 1943   0.0000       4.905309       133.4802 
 1944   0.0000       4.909494       133.5941 
 1945   0.0000       4.910192       133.6131 
 1946   0.0000       4.918606       133.8421 
 1947   0.0000       4.920037       133.8810 
 1948   0.0000       4.926365       134.0532 
 1949   0.0000       4.927407       134.0815 
 1950   0.0000       4.933990       134.2607 
 1951   0.0000       4.937772       134.3636 
 1952   0.0000       4.939021       134.3976 
 1953   0.0000       4.940994       134.4513 
 1954   0.0000       4.946726       134.6073 
 1955   0.0000       4.951482       134.7367 
 1956   0.0000       4.952755       134.7713 
 1957   0.0000       4.955326       134.8413 
 1958   0.0000       4.961370       135.0058 
 1959   0.0000       4.964317       135.0859 
 1960   0.0000       4.965523       135.1188 
 1961   0.0000       4.969255       135.2203 
 1962   0.0000       4.976815       135.4260 
 1963   0.0000       4.979274       135.4929 
 1964   0.0000       4.981890       135.5641 
 1965   0.0000       4.984298       135.6296 
 1966   0.0000       4.986236       135.6824 
 1967   0.0000       4.990796       135.8065 
 1968   0.0000       4.992398       135.8501 
 1969   0.0000       4.994131       135.8972 
 1970   0.0000       4.999512       136.0436 
 1971   0.0000       5.003633       136.1558 
 1972   0.0000       5.004618       136.1826 
 1973   0.0000       5.008361       136.2844 
 1974   0.0000       5.011072       136.3582 
 1975   0.0000       5.016316       136.5009 
 1976   0.0000       5.017131       136.5231 
 1977   0.0000       5.022499       136.6692 
 1978   0.0000       5.023781       136.7040 
 1979   0.0000       5.029140       136.8498 
 1980   0.0000       5.035392       137.0200 
 1981   0.0000       5.037928       137.0890 
 1982   0.0000       5.042945       137.2255 
 1983   0.0000       5.045280       137.2891 
 1984   0.0000       5.047597       137.3521 
 1985   0.0000       5.051274       137.4522 
 1986   0.0000       5.056748       137.6011 
 1987   0.0000       5.059389       137.6730 
 1988   0.0000       5.064640       137.8159 
 1989   0.0000       5.066025       137.8535 
 1990   0.0000       5.071247       137.9956 
 1991   0.0000       5.076928       138.1502 
 1992   0.0000       5.079152       138.2108 
 1993   0.0000       5.084091       138.3451 
 1994   0.0000       5.089010       138.4790 
 1995   0.0000       5.092370       138.5704 
 1996   0.0000       5.094754       138.6353 
 1997   0.0000       5.096152       138.6733 
 1998   0.0000       5.099021       138.7514 
 1999   0.0000       5.108251       139.0026 
 2000   0.0000       5.112918       139.1296 
 2001   0.0000       5.113058       139.1334 
 2002   0.0000       5.115627       139.2033 
 2003   0.0000       5.118899       139.2923 
 2004   0.0000       5.127109       139.5157 
 2005   0.0000       5.129372       139.5773 
 2006   0.0000       5.133287       139.6838 
 2007   0.0000       5.139191       139.8445 
 2008   0.0000       5.143204       139.9537 
 2009   0.0000       5.147438       140.0689 
 2010   0.0000       5.153122       140.2236 
 2011   0.0000       5.156292       140.3098 
 2012   0.0000       5.162149       140.4692 
 2013   0.0000       5.162941       140.4908 
 2014   0.0000       5.171810       140.7321 
 2015   0.0000       5.175367       140.8289 
 2016   0.0000       5.177452       140.8856 
 2017   0.0000       5.181999       141.0094 
 2018   0.0000       5.197465       141.4302 
 2019   0.0000       5.206213       141.6683 
 2020   0.0000       5.211321       141.8072 
 2021   0.0000       5.213009       141.8532 
 2022   0.0000       5.216125       141.9380 
 2023   0.0000       5.225477       142.1925 
 2024   0.0000       5.230767       142.3364 
 2025   0.0000       5.231846       142.3658 
 2026   0.0000       5.233965       142.4234 
 2027   0.0000       5.242803       142.6639 
 2028   0.0000       5.253118       142.9446 
 2029   0.0000       5.254605       142.9851 
 2030   0.0000       5.256824       143.0455 
 2031   0.0000       5.261635       143.1764 
 2032   0.0000       5.265179       143.2728 
 2033   0.0000       5.270051       143.4054 
 2034   0.0000       5.273812       143.5077 
 2035   0.0000       5.275898       143.5645 
 2036   0.0000       5.279942       143.6745 
 2037   0.0000       5.294656       144.0749 
 2038   0.0000       5.299070       144.1950 
 2039   0.0000       5.301353       144.2571 
 2040   0.0000       5.313608       144.5906 
 2041   0.0000       5.319188       144.7425 
 2042   0.0000       5.323305       144.8545 
 2043   0.0000       5.327414       144.9663 
 2044   0.0000       5.332239       145.0976 
 2045   0.0000       5.336590       145.2160 
 2046   0.0000       5.344215       145.4235 
 2047   0.0000       5.357349       145.7809 
 2048   0.0000       5.363774       145.9557 
 2049   0.0000       5.367147       146.0475 
 2050   0.0000       5.370597       146.1414 
 2051   0.0000       5.380703       146.4164 
 2052   0.0000       5.393923       146.7761 
 2053   0.0000       5.397297       146.8679 
 2054   0.0000       5.402246       147.0026 
 2055   0.0000       5.406655       147.1226 
 2056   0.0000       5.416250       147.3837 
 2057   0.0000       5.418660       147.4492 
 2058   0.0000       5.429875       147.7544 
 2059   0.0000       5.437877       147.9722 
 2060   0.0000       5.449887       148.2990 
 2061   0.0000       5.469947       148.8448 
 2062   0.0000       5.477317       149.0454 
 2063   0.0000       5.485238       149.2609 
 2064   0.0000       5.497655       149.5988 
 2065   0.0000       5.503866       149.7678 
 2066   0.0000       5.518176       150.1572 
 2067   0.0000       5.543261       150.8398 
 2068   0.0000       5.549219       151.0019 
 2069   0.0000       5.551008       151.0506 
 2070   0.0000       5.566983       151.4853 
 2071   0.0000       5.571372       151.6048 
 2072   0.0000       5.581087       151.8691 
 2073   0.0000       5.594216       152.2263 
 2074   0.0000       5.601763       152.4317 
 2075   0.0000       5.625492       153.0774 
 2076   0.0000       5.628344       153.1550 
 2077   0.0000       5.639314       153.4535 
 2078   0.0000       5.642004       153.5267 
 2079   0.0000       5.656683       153.9262 
 2080   0.0000       5.664556       154.1404 
 2081   0.0000       5.669149       154.2654 
 2082   0.0000       5.674649       154.4151 
 2083   0.0000       5.704881       155.2377 
 2084   0.0000       5.711824       155.4266 
 2085   0.0000       5.720172       155.6538 
 2086   0.0000       5.730802       155.9431 
 2087   0.0000       5.754288       156.5821 
 2088   0.0000       5.756849       156.6518 
 2089   0.0000       5.760064       156.7393 
 2090   0.0000       5.761931       156.7901 
 2091   0.0000       5.769496       156.9960 
 2092   0.0000       5.781228       157.3152 
 2093   0.0000       5.783561       157.3787 
 2094   0.0000       5.787621       157.4892 
 2095   0.0000       5.789946       157.5524 
 2096   0.0000       5.809821       158.0933 
 2097   0.0000       5.814388       158.2175 
 2098   0.0000       5.823651       158.4696 
 2099   0.0000       5.831145       158.6735 
 2100   0.0000       5.840490       158.9278 
 2101   0.0000       5.853612       159.2849 
 2102   0.0000       5.862831       159.5357 
 2103   0.0000       5.871338       159.7672 
 2104   0.0000       5.874862       159.8631 
 2105   0.0000       5.878977       159.9751 
 2106   0.0000       5.881555       160.0453 
 2107   0.0000       5.893604       160.3731 
 2108   0.0000       5.901959       160.6005 
 2109   0.0000       5.915743       160.9755 
 2110   0.0000       5.943679       161.7357 
 2111   0.0000       5.953001       161.9894 
 2112   0.0000       5.954543       162.0314 
 2113   0.0000       5.963797       162.2832 
 2114   0.0000       5.970369       162.4620 
 2115   0.0000       5.971496       162.4927 
 2116   0.0000       5.975685       162.6067 
 2117   0.0000       5.976205       162.6208 
 2118   0.0000       5.994432       163.1168 
 2119   0.0000       5.996403       163.1704 
 2120   0.0000       6.002153       163.3269 
 2121   0.0000       6.002677       163.3411 
 2122   0.0000       6.003593       163.3661 
 2123   0.0000       6.006436       163.4434 
 2124   0.0000       6.012998       163.6220 
 2125   0.0000       6.021445       163.8518 
 2126   0.0000       6.025313       163.9571 
 2127   0.0000       6.034133       164.1971 
 2128   0.0000       6.035990       164.2476 
 2129   0.0000       6.045033       164.4937 
 2130   0.0000       6.047811       164.5693 
 2131   0.0000       6.056387       164.8027 
 2132   0.0000       6.058772       164.8676 
 2133   0.0000       6.062300       164.9636 
 2134   0.0000       6.065610       165.0536 
 2135   0.0000       6.068591       165.1347 
 2136   0.0000       6.075058       165.3107 
 2137   0.0000       6.077723       165.3832 
 2138   0.0000       6.079887       165.4421 
 2139   0.0000       6.081183       165.4774 
 2140   0.0000       6.083939       165.5524 
 2141   0.0000       6.090048       165.7186 
 2142   0.0000       6.092890       165.7960 
 2143   0.0000       6.096393       165.8913 
 2144   0.0000       6.097744       165.9280 
 2145   0.0000       6.100407       166.0005 
 2146   0.0000       6.106541       166.1674 
 2147   0.0000       6.114230       166.3767 
 2148   0.0000       6.115334       166.4067 
 2149   0.0000       6.123379       166.6256 
 2150   0.0000       6.126856       166.7202 
 2151   0.0000       6.131999       166.8602 
 2152   0.0000       6.136797       166.9907 
 2153   0.0000       6.141742       167.1253 
 2154   0.0000       6.142765       167.1531 
 2155   0.0000       6.153526       167.4460 
 2156   0.0000       6.156163       167.5177 
 2157   0.0000       6.163606       167.7203 
 2158   0.0000       6.168605       167.8563 
 2159   0.0000       6.175856       168.0536 
 2160   0.0000       6.180788       168.1878 
 2161   0.0000       6.183537       168.2626 
 2162   0.0000       6.194025       168.5480 
 2163   0.0000       6.194321       168.5561 
 2164   0.0000       6.203671       168.8105 
 2165   0.0000       6.207289       168.9089 
 2166   0.0000       6.211091       169.0124 
 2167   0.0000       6.217207       169.1788 
 2168   0.0000       6.224850       169.3868 
 2169   0.0000       6.231089       169.5566 
 2170   0.0000       6.234299       169.6439 
 2171   0.0000       6.241900       169.8507 
 2172   0.0000       6.243577       169.8964 
 2173   0.0000       6.251190       170.1035 
 2174   0.0000       6.269356       170.5979 
 2175   0.0000       6.273275       170.7045 
 2176   0.0000       6.278953       170.8590 
 2177   0.0000       6.283394       170.9798 
 2178   0.0000       6.288581       171.1210 
 2179   0.0000       6.293392       171.2519 
 2180   0.0000       6.301589       171.4750 
 2181   0.0000       6.314479       171.8257 
 2182   0.0000       6.316095       171.8697 
 2183   0.0000       6.326023       172.1398 
 2184   0.0000       6.330657       172.2659 
 2185   0.0000       6.334597       172.3731 
 2186   0.0000       6.344196       172.6343 
 2187   0.0000       6.347532       172.7251 
 2188   0.0000       6.352371       172.8568 
 2189   0.0000       6.359116       173.0403 
 2190   0.0000       6.364181       173.1782 
 2191   0.0000       6.378094       173.5568 
 2192   0.0000       6.382633       173.6803 
 2193   0.0000       6.385020       173.7452 
 2194   0.0000       6.385735       173.7647 
 2195   0.0000       6.392914       173.9600 
 2196   0.0000       6.399369       174.1357 
 2197   0.0000       6.408088       174.3729 
 2198   0.0000       6.410728       174.4448 
 2199   0.0000       6.413089       174.5090 
 2200   0.0000       6.413881       174.5306 
 2201   0.0000       6.427157       174.8918 
 2202   0.0000       6.432466       175.0363 
 2203   0.0000       6.432798       175.0453 
 2204   0.0000       6.438681       175.2054 
 2205   0.0000       6.447839       175.4546 
 2206   0.0000       6.461332       175.8218 
 2207   0.0000       6.465717       175.9411 
 2208   0.0000       6.468648       176.0209 
 2209   0.0000       6.490338       176.6111 
 2210   0.0000       6.499472       176.8596 
 2211   0.0000       6.506221       177.0433 
 2212   0.0000       6.513456       177.2401 
 2213   0.0000       6.519386       177.4015 
 2214   0.0000       6.527438       177.6206 
 2215   0.0000       6.539566       177.9506 
 2216   0.0000       6.540699       177.9815 
 2217   0.0000       6.542559       178.0321 
 2218   0.0000       6.544397       178.0821 
 2219   0.0000       6.546960       178.1518 
 2220   0.0000       6.555821       178.3930 
 2221   0.0000       6.560728       178.5265 
 2222   0.0000       6.561637       178.5512 
 2223   0.0000       6.563376       178.5985 
 2224   0.0000       6.566990       178.6969 
 2225   0.0000       6.570312       178.7873 
 2226   0.0000       6.575691       178.9336 
 2227   0.0000       6.576803       178.9639 
 2228   0.0000       6.577651       178.9870 
 2229   0.0000       6.580352       179.0605 
 2230   0.0000       6.584506       179.1735 
 2231   0.0000       6.589141       179.2996 
 2232   0.0000       6.593375       179.4149 
 2233   0.0000       6.594451       179.4441 
 2234   0.0000       6.601328       179.6313 
 2235   0.0000       6.601447       179.6345 
 2236   0.0000       6.607334       179.7947 
 2237   0.0000       6.610087       179.8696 
 2238   0.0000       6.612222       179.9277 
 2239   0.0000       6.613803       179.9707 
 2240   0.0000       6.615384       180.0138 
 2241   0.0000       6.618340       180.0942 
 2242   0.0000       6.620698       180.1583 
 2243   0.0000       6.623696       180.2399 
 2244   0.0000       6.624243       180.2548 
 2245   0.0000       6.625335       180.2845 
 2246   0.0000       6.629052       180.3857 
 2247   0.0000       6.631673       180.4570 
 2248   0.0000       6.632753       180.4864 
 2249   0.0000       6.632870       180.4896 
 2250   0.0000       6.634715       180.5398 
 2251   0.0000       6.635745       180.5678 
 2252   0.0000       6.637337       180.6111 
 2253   0.0000       6.639574       180.6720 
 2254   0.0000       6.640889       180.7078 
 2255   0.0000       6.642234       180.7444 
 2256   0.0000       6.644544       180.8072 
 2257   0.0000       6.645423       180.8312 
 2258   0.0000       6.649959       180.9546 
 2259   0.0000       6.651580       180.9987 
 2260   0.0000       6.652374       181.0203 
 2261   0.0000       6.654000       181.0645 
 2262   0.0000       6.656767       181.1398 
 2263   0.0000       6.658555       181.1885 
 2264   0.0000       6.659666       181.2187 
 2265   0.0000       6.662121       181.2855 
 2266   0.0000       6.664023       181.3373 
 2267   0.0000       6.667610       181.4349 
 2268   0.0000       6.669135       181.4764 
 2269   0.0000       6.672901       181.5789 
 2270   0.0000       6.674295       181.6168 
 2271   0.0000       6.675813       181.6581 
 2272   0.0000       6.676699       181.6822 
 2273   0.0000       6.678219       181.7236 
 2274   0.0000       6.679173       181.7495 
 2275   0.0000       6.684627       181.8980 
 2276   0.0000       6.687508       181.9763 
 2277   0.0000       6.690033       182.0451 
 2278   0.0000       6.692543       182.1134 
 2279   0.0000       6.694751       182.1734 
 2280   0.0000       6.699126       182.2925 
 2281   0.0000       6.699939       182.3146 
 2282   0.0000       6.703326       182.4068 
 2283   0.0000       6.704918       182.4501 
 2284   0.0000       6.705872       182.4761 
 2285   0.0000       6.707735       182.5268 
 2286   0.0000       6.711737       182.6357 
 2287   0.0000       6.713325       182.6789 
 2288   0.0000       6.714545       182.7121 
 2289   0.0000       6.718961       182.8322 
 2290   0.0000       6.720971       182.8869 
 2291   0.0000       6.722009       182.9152 
 2292   0.0000       6.722688       182.9336 
 2293   0.0000       6.724251       182.9762 
 2294   0.0000       6.727703       183.0701 
 2295   0.0000       6.728732       183.0981 
 2296   0.0000       6.732951       183.2129 
 2297   0.0000       6.735153       183.2728 
 2298   0.0000       6.737722       183.3427 
 2299   0.0000       6.740020       183.4053 
 2300   0.0000       6.741969       183.4583 
 2301   0.0000       6.742816       183.4814 
 2302   0.0000       6.744360       183.5234 
 2303   0.0000       6.747011       183.5955 
 2304   0.0000       6.748061       183.6241 
 2305   0.0000       6.749677       183.6681 
 2306   0.0000       6.750745       183.6971 
 2307   0.0000       6.753359       183.7682 
 2308   0.0000       6.754584       183.8016 
 2309   0.0000       6.756163       183.8445 
 2310   0.0000       6.761757       183.9968 
 2311   0.0000       6.764599       184.0741 
 2312   0.0000       6.766127       184.1157 
 2313   0.0000       6.768986       184.1935 
 2314   0.0000       6.769204       184.1994 
 2315   0.0000       6.771161       184.2527 
 2316   0.0000       6.773015       184.3031 
 2317   0.0000       6.775999       184.3843 
 2318   0.0000       6.777179       184.4164 
 2319   0.0000       6.778675       184.4571 
 2320   0.0000       6.780399       184.5040 
 2321   0.0000       6.782205       184.5532 
 2322   0.0000       6.783022       184.5754 
 2323   0.0000       6.786578       184.6722 
 2324   0.0000       6.789017       184.7385 
 2325   0.0000       6.792564       184.8351 
 2326   0.0000       6.793909       184.8717 
 2327   0.0000       6.797931       184.9811 
 2328   0.0000       6.798489       184.9963 
 2329   0.0000       6.802059       185.0934 
 2330   0.0000       6.806425       185.2122 
 2331   0.0000       6.807872       185.2516 
 2332   0.0000       6.810847       185.3326 
 2333   0.0000       6.813500       185.4048 
 2334   0.0000       6.818474       185.5401 
 2335   0.0000       6.819610       185.5710 
 2336   0.0000       6.820856       185.6049 
 2337   0.0000       6.828703       185.8184 
 2338   0.0000       6.829490       185.8399 
 2339   0.0000       6.831038       185.8820 
 2340   0.0000       6.832732       185.9281 
 2341   0.0000       6.837493       186.0576 
 2342   0.0000       6.840214       186.1317 
 2343   0.0000       6.842597       186.1965 
 2344   0.0000       6.844357       186.2444 
 2345   0.0000       6.848902       186.3681 
 2346   0.0000       6.850923       186.4231 
 2347   0.0000       6.853378       186.4899 
 2348   0.0000       6.856767       186.5821 
 2349   0.0000       6.860974       186.6966 
 2350   0.0000       6.861814       186.7195 
 2351   0.0000       6.862874       186.7483 
 2352   0.0000       6.864862       186.8024 
 2353   0.0000       6.870005       186.9423 
 2354   0.0000       6.870889       186.9664 
 2355   0.0000       6.874240       187.0576 
 2356   0.0000       6.879154       187.1913 
 2357   0.0000       6.880795       187.2359 
 2358   0.0000       6.884701       187.3422 
 2359   0.0000       6.891427       187.5253 
 2360   0.0000       6.894994       187.6223 
 2361   0.0000       6.897643       187.6944 
 2362   0.0000       6.899387       187.7419 
 2363   0.0000       6.903640       187.8576 
 2364   0.0000       6.905924       187.9197 
 2365   0.0000       6.907484       187.9622 
 2366   0.0000       6.910170       188.0353 
 2367   0.0000       6.913512       188.1262 
 2368   0.0000       6.916322       188.2027 
 2369   0.0000       6.916900       188.2184 
 2370   0.0000       6.919234       188.2819 
 2371   0.0000       6.924810       188.4337 
 2372   0.0000       6.926569       188.4815 
 2373   0.0000       6.930407       188.5860 
 2374   0.0000       6.939340       188.8290 
 2375   0.0000       6.945249       188.9898 
 2376   0.0000       6.945499       188.9966 
 2377   0.0000       6.947055       189.0390 
 2378   0.0000       6.950075       189.1211 
 2379   0.0000       6.954485       189.2412 
 2380   0.0000       6.959012       189.3644 
 2381   0.0000       6.964525       189.5144 
 2382   0.0000       6.969275       189.6436 
 2383   0.0000       6.971194       189.6958 
 2384   0.0000       6.973575       189.7606 
 2385   0.0000       6.977891       189.8781 
 2386   0.0000       6.980782       189.9567 
 2387   0.0000       6.989382       190.1907 
 2388   0.0000       6.991745       190.2550 
 2389   0.0000       7.000180       190.4846 
 2390   0.0000       7.001358       190.5166 
 2391   0.0000       7.005693       190.6346 
 2392   0.0000       7.008791       190.7189 
 2393   0.0000       7.010504       190.7655 
 2394   0.0000       7.012636       190.8235 
 2395   0.0000       7.015649       190.9055 
 2396   0.0000       7.018155       190.9737 
 2397   0.0000       7.020363       191.0338 
 2398   0.0000       7.024554       191.1478 
 2399   0.0000       7.034135       191.4085 
 2400   0.0000       7.036677       191.4777 
 2401   0.0000       7.043859       191.6731 
 2402   0.0000       7.053124       191.9253 
 2403   0.0000       7.058943       192.0836 
 2404   0.0000       7.067061       192.3045 
 2405   0.0000       7.071211       192.4174 
 2406   0.0000       7.077631       192.5921 
 2407   0.0000       7.082300       192.7192 
 2408   0.0000       7.101865       193.2516 
 2409   0.0000       7.105387       193.3474 
 2410   0.0000       7.106651       193.3818 
 2411   0.0000       7.121432       193.7840 
 2412   0.0000       7.125610       193.8977 
 2413   0.0000       7.132201       194.0771 
 2414   0.0000       7.139154       194.2663 
 2415   0.0000       7.160219       194.8395 
 2416   0.0000       7.164380       194.9527 
 2417   0.0000       7.169634       195.0957 
 2418   0.0000       7.184935       195.5120 
 2419   0.0000       7.196269       195.8204 
 2420   0.0000       7.202881       196.0003 
 2421   0.0000       7.215378       196.3404 
 2422   0.0000       7.217892       196.4088 
 2423   0.0000       7.222030       196.5214 
 2424   0.0000       7.223290       196.5557 
 2425   0.0000       7.231796       196.7872 
 2426   0.0000       7.244170       197.1239 
 2427   0.0000       7.253890       197.3884 
 2428   0.0000       7.263490       197.6496 
 2429   0.0000       7.266252       197.7248 
 2430   0.0000       7.268218       197.7783 
 2431   0.0000       7.269572       197.8151 
 2432   0.0000       7.280438       198.1108 
 2433   0.0000       7.283684       198.1991 
 2434   0.0000       7.285831       198.2575 
 2435   0.0000       7.291832       198.4208 
 2436   0.0000       7.296120       198.5375 
 2437   0.0000       7.303110       198.7277 
 2438   0.0000       7.306700       198.8254 
 2439   0.0000       7.308579       198.8765 
 2440   0.0000       7.311746       198.9627 
 2441   0.0000       7.315129       199.0548 
 2442   0.0000       7.320376       199.1976 
 2443   0.0000       7.326309       199.3590 
 2444   0.0000       7.329569       199.4477 
 2445   0.0000       7.339791       199.7259 
 2446   0.0000       7.344818       199.8627 
 2447   0.0000       7.349002       199.9765 
 2448   0.0000       7.354636       200.1298 
 2449   0.0000       7.357527       200.2085 
 2450   0.0000       7.359234       200.2549 
 2451   0.0000       7.368279       200.5011 
 2452   0.0000       7.387817       201.0327 
 2453   0.0000       7.400665       201.3823 
 2454   0.0000       7.401835       201.4142 
 2455   0.0000       7.406727       201.5473 
 2456   0.0000       7.407392       201.5654 
 2457   0.0000       7.411285       201.6713 
 2458   0.0000       7.415206       201.7780 
 2459   0.0000       7.418809       201.8761 
 2460   0.0000       7.429922       202.1785 
 2461   0.0000       7.433453       202.2745 
 2462   0.0000       7.435156       202.3209 
 2463   0.0000       7.438706       202.4175 
 2464   0.0000       7.441770       202.5009 
 2465   0.0000       7.446900       202.6405 
 2466   0.0000       7.450702       202.7439 
 2467   0.0000       7.453640       202.8238 
 2468   0.0000       7.461331       203.0331 
 2469   0.0000       7.463534       203.0931 
 2470   0.0000       7.466854       203.1834 
 2471   0.0000       7.472393       203.3341 
 2472   0.0000       7.474269       203.3852 
 2473   0.0000       7.483657       203.6407 
 2474   0.0000       7.494467       203.9348 
 2475   0.0000       7.502987       204.1666 
 2476   0.0000       7.507016       204.2763 
 2477   0.0000       7.517497       204.5615 
 2478   0.0000       7.525957       204.7917 
 2479   0.0000       7.533129       204.9869 
 2480   0.0000       7.544015       205.2831 
 2481   0.0000       7.545207       205.3155 
 2482   0.0000       7.546762       205.3578 
 2483   0.0000       7.561668       205.7635 
 2484   0.0000       7.574245       206.1057 
 2485   0.0000       7.593915       206.6409 
 2486   0.0000       7.605090       206.9450 
 2487   0.0000       7.610707       207.0979 
 2488   0.0000       7.616137       207.2456 
 2489   0.0000       7.619311       207.3320 
 2490   0.0000       7.624757       207.4802 
 2491   0.0000       7.634811       207.7538 
 2492   0.0000       7.644265       208.0110 
 2493   0.0000       7.650750       208.1875 
 2494   0.0000       7.667038       208.6307 
 2495   0.0000       7.709278       209.7801 
 2496   0.0000       7.967523       216.8073 
 2497   0.0000       7.978098       217.0951 
 2498   0.0000       8.032835       218.5846 
 2499   0.0000       8.080036       219.8690 
 2500   0.0000       8.110538       220.6990 
 2501   0.0000       8.112985       220.7655 
 2502   0.0000       8.115964       220.8466 
 2503   0.0000       8.134095       221.3400 
 2504   0.0000       8.147671       221.7094 
 2505   0.0000       8.170525       222.3313 
 2506   0.0000       8.172694       222.3903 
 2507   0.0000       8.183483       222.6839 
 2508   0.0000       8.197625       223.0687 
 2509   0.0000       8.210373       223.4156 
 2510   0.0000       8.234767       224.0794 
 2511   0.0000       8.236539       224.1276 
 2512   0.0000       8.241922       224.2741 
 2513   0.0000       8.258021       224.7122 
 2514   0.0000       8.260563       224.7813 
 2515   0.0000       8.276065       225.2032 
 2516   0.0000       8.287611       225.5174 
 2517   0.0000       8.297445       225.7850 
 2518   0.0000       8.303641       225.9535 
 2519   0.0000       8.314918       226.2604 
 2520   0.0000       8.321693       226.4448 
 2521   0.0000       8.336266       226.8413 
 2522   0.0000       8.349161       227.1922 
 2523   0.0000       8.379642       228.0217 
 2524   0.0000       8.399987       228.5753 
 2525   0.0000       8.413543       228.9441 
 2526   0.0000       8.453711       230.0372 
 2527   0.0000      12.227380       332.7239 
 2528   0.0000      12.594758       342.7208 
 2529   0.0000      13.088410       356.1537 
 2530   0.0000      13.276312       361.2668 
 2531   0.0000      13.311185       362.2157 
 2532   0.0000      13.486111       366.9757 
 2533   0.0000      13.519128       367.8742 
 2534   0.0000      13.567838       369.1996 
 2535   0.0000      13.588809       369.7703 
 2536   0.0000      13.594673       369.9299 
 2537   0.0000      13.654248       371.5510 
 2538   0.0000      13.791402       375.2831 
 2539   0.0000      13.828322       376.2878 
 2540   0.0000      13.886458       377.8697 
 2541   0.0000      13.938386       379.2828 
 2542   0.0000      13.984749       380.5444 
 2543   0.0000      14.006894       381.1470 
 2544   0.0000      14.074192       382.9782 
 2545   0.0000      14.162134       385.3712 
 2546   0.0000      14.199816       386.3966 
 2547   0.0000      14.252608       387.8332 
 2548   0.0000      14.334053       390.0494 
 2549   0.0000      14.422374       392.4527 
 2550   0.0000      14.603798       397.3896 
 2551   0.0000      14.713675       400.3794 
 2552   0.0000      14.752799       401.4441 
 2553   0.0000      14.790266       402.4636 
 2554   0.0000      14.859910       404.3587 
 2555   0.0000      14.910340       405.7310 
 2556   0.0000      15.826424       430.6589 
 2557   0.0000      15.877503       432.0488 
 2558   0.0000      16.002831       435.4592 
 2559   0.0000      16.276241       442.8990 
 2560   0.0000      16.387579       445.9287 
 2561   0.0000      16.945971       461.1233 

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

-----------------------
MULLIKEN ATOMIC CHARGES
-----------------------
   0 C :   -0.007104
   1 H :    0.217638
   2 H :    0.244305
   3 C :   -0.385982
   4 H :    0.104310
   5 H :    0.119236
   6 C :   -0.009358
   7 H :    0.080371
   8 H :    0.120078
   9 C :   -0.311274
  10 H :    0.209720
  11 H :    0.224950
  12 O :   -0.462767
  13 H :    0.222396
  14 O :   -0.542804
  15 H :    0.157189
  16 O :   -0.486275
  17 H :    0.245519
  18 H :    0.238950
  19 O :   -0.523984
  20 H :    0.203610
  21 H :    0.331550
  22 O :   -0.496769
  23 H :    0.264125
  24 H :    0.226608
  25 O :   -0.572947
  26 H :    0.316734
  27 H :    0.257299
  28 O :   -0.600343
  29 H :    0.260465
  30 H :    0.370357
  31 O :   -0.654632
  32 H :    0.368143
  33 H :    0.302928
  34 O :   -0.664845
  35 H :    0.330752
  36 H :    0.322551
  37 O :   -0.606382
  38 H :    0.333298
  39 H :    0.281081
  40 O :   -0.576925
  41 H :    0.213477
  42 H :    0.312849
  43 O :   -0.569547
  44 H :    0.379778
  45 H :    0.214121
  46 O :   -0.612111
  47 H :    0.299481
  48 H :    0.278008
  49 O :   -0.510206
  50 H :    0.258885
  51 H :    0.301434
  52 O :   -0.561060
  53 H :    0.271456
  54 H :    0.251390
  55 O :   -0.617716
  56 H :    0.245204
  57 H :    0.310466
  58 O :   -0.566721
  59 H :    0.314224
  60 H :    0.281275
  61 O :   -0.553402
  62 H :    0.250628
  63 H :    0.335417
  64 O :   -0.614762
  65 H :    0.348234
  66 H :    0.241470
  67 O :   -0.595859
  68 H :    0.264104
  69 H :    0.316295
  70 O :   -0.610883
  71 H :    0.306424
  72 H :    0.341606
  73 O :   -0.743005
  74 H :    0.308041
  75 H :    0.366768
  76 O :   -0.601198
  77 H :    0.278919
  78 H :    0.315993
  79 O :   -0.478674
  80 H :    0.205839
  81 H :    0.321351
  82 O :   -0.562078
  83 H :    0.264899
  84 H :    0.283974
  85 O :   -0.677616
  86 H :    0.374670
  87 H :    0.313927
  88 O :   -0.552451
  89 H :    0.303917
  90 H :    0.282526
  91 O :   -0.545222
  92 H :    0.303769
  93 H :    0.262715
  94 O :   -0.541117
  95 H :    0.277106
  96 H :    0.282309
  97 O :   -0.546745
  98 H :    0.249088
  99 H :    0.276601
 100 O :   -0.576601
 101 H :    0.269950
 102 H :    0.306616
 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 :   -0.660908
   1 H :    0.166150
   2 H :    0.136174
   3 C :   -0.397150
   4 H :    0.190065
   5 H :    0.173777
   6 C :   -0.403946
   7 H :    0.182141
   8 H :    0.167574
   9 C :   -0.526692
  10 H :    0.125871
  11 H :    0.131366
  12 O :    0.322832
  13 H :   -0.049921
  14 O :    0.319755
  15 H :   -0.109737
  16 O :    0.321481
  17 H :   -0.125314
  18 H :   -0.124908
  19 O :    0.307506
  20 H :   -0.079801
  21 H :   -0.129984
  22 O :    0.217674
  23 H :   -0.151876
  24 H :   -0.068029
  25 O :    0.267155
  26 H :   -0.040647
  27 H :   -0.144943
  28 O :    0.261409
  29 H :   -0.144409
  30 H :   -0.085881
  31 O :    0.130514
  32 H :   -0.006459
  33 H :   -0.143535
  34 O :    0.105991
  35 H :   -0.081855
  36 H :   -0.056439
  37 O :    0.239386
  38 H :   -0.080770
  39 H :   -0.115138
  40 O :    0.215357
  41 H :   -0.140694
  42 H :   -0.124902
  43 O :    0.264078
  44 H :    0.007335
  45 H :   -0.238226
  46 O :    0.225767
  47 H :   -0.148836
  48 H :   -0.113719
  49 O :    0.301266
  50 H :   -0.108521
  51 H :   -0.086031
  52 O :    0.188976
  53 H :   -0.070865
  54 H :   -0.122629
  55 O :    0.207035
  56 H :   -0.206715
  57 H :   -0.171053
  58 O :    0.234469
  59 H :   -0.076224
  60 H :   -0.110724
  61 O :    0.290730
  62 H :   -0.152114
  63 H :   -0.073453
  64 O :    0.178906
  65 H :   -0.114608
  66 H :   -0.163667
  67 O :    0.323775
  68 H :   -0.218284
  69 H :   -0.156927
  70 O :    0.184245
  71 H :   -0.119810
  72 H :   -0.082898
  73 O :    0.139967
  74 H :   -0.159047
  75 H :   -0.141673
  76 O :    0.212451
  77 H :   -0.185080
  78 H :   -0.087885
  79 O :    0.342720
  80 H :   -0.099965
  81 H :   -0.049848
  82 O :    0.190948
  83 H :   -0.145286
  84 H :   -0.096090
  85 O :    0.121554
  86 H :   -0.004776
  87 H :   -0.063438
  88 O :    0.259939
  89 H :   -0.089597
  90 H :   -0.120010
  91 O :    0.251995
  92 H :   -0.153613
  93 H :   -0.058081
  94 O :    0.241982
  95 H :   -0.086958
  96 H :   -0.095970
  97 O :    0.274965
  98 H :   -0.113484
  99 H :   -0.169564
 100 O :    0.233163
 101 H :   -0.087258
 102 H :   -0.121581
 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       :     2.577106  s :     2.577106
      pz      :     0.726772  p :     2.530031
      px      :     0.913034
      py      :     0.890224
      dz2     :     0.295700  d :     1.067045
      dxz     :     0.269293
      dyz     :     0.165444
      dx2y2   :     0.127864
      dxy     :     0.208743
      f0      :     0.096755  f :     0.486727
      f+1     :     0.145915
      f-1     :     0.096658
      f+2     :     0.037628
      f-2     :     0.037956
      f+3     :     0.025975
      f-3     :     0.045840
  1 H s       :     0.657639  s :     0.657639
      pz      :     0.031712  p :     0.149759
      px      :     0.062140
      py      :     0.055908
      dz2     :     0.003559  d :     0.026452
      dxz     :     0.004802
      dyz     :     0.003556
      dx2y2   :     0.008280
      dxy     :     0.006255
  2 H s       :     0.672776  s :     0.672776
      pz      :     0.035137  p :     0.159835
      px      :     0.050712
      py      :     0.073986
      dz2     :     0.003617  d :     0.031215
      dxz     :     0.001338
      dyz     :     0.006805
      dx2y2   :     0.009187
      dxy     :     0.010269
  3 C s       :     2.568627  s :     2.568627
      pz      :     0.884551  p :     2.578196
      px      :     0.855686
      py      :     0.837958
      dz2     :     0.214836  d :     0.883241
      dxz     :     0.225518
      dyz     :     0.156584
      dx2y2   :     0.110295
      dxy     :     0.176007
      f0      :     0.060112  f :     0.367087
      f+1     :     0.099003
      f-1     :     0.058291
      f+2     :     0.027592
      f-2     :     0.055285
      f+3     :     0.023028
      f-3     :     0.043776
  4 H s       :     0.641836  s :     0.641836
      pz      :     0.039752  p :     0.140502
      px      :     0.051930
      py      :     0.048820
      dz2     :     0.005408  d :     0.027597
      dxz     :     0.005220
      dyz     :     0.004634
      dx2y2   :     0.007108
      dxy     :     0.005227
  5 H s       :     0.647878  s :     0.647878
      pz      :     0.038985  p :     0.150032
      px      :     0.044692
      py      :     0.066355
      dz2     :     0.003261  d :     0.028313
      dxz     :     0.000844
      dyz     :     0.007774
      dx2y2   :     0.007780
      dxy     :     0.008655
  6 C s       :     2.568122  s :     2.568122
      pz      :     0.888883  p :     2.599051
      px      :     0.859636
      py      :     0.850531
      dz2     :     0.221161  d :     0.875414
      dxz     :     0.215349
      dyz     :     0.169449
      dx2y2   :     0.093081
      dxy     :     0.176374
      f0      :     0.056342  f :     0.361359
      f+1     :     0.107874
      f-1     :     0.055127
      f+2     :     0.034206
      f-2     :     0.037132
      f+3     :     0.040654
      f-3     :     0.030022
  7 H s       :     0.631838  s :     0.631838
      pz      :     0.041536  p :     0.156582
      px      :     0.050772
      py      :     0.064275
      dz2     :     0.002921  d :     0.029438
      dxz     :     0.003734
      dyz     :     0.006026
      dx2y2   :     0.008618
      dxy     :     0.008140
  8 H s       :     0.655222  s :     0.655222
      pz      :     0.044172  p :     0.149903
      px      :     0.048208
      py      :     0.057523
      dz2     :     0.005764  d :     0.027301
      dxz     :     0.003635
      dyz     :     0.006276
      dx2y2   :     0.005646
      dxy     :     0.005980
  9 C s       :     2.583782  s :     2.583782
      pz      :     0.874976  p :     2.522491
      px      :     0.900704
      py      :     0.746811
      dz2     :     0.248294  d :     0.966175
      dxz     :     0.127086
      dyz     :     0.151691
      dx2y2   :     0.160266
      dxy     :     0.278838
      f0      :     0.033410  f :     0.454244
      f+1     :     0.056162
      f-1     :     0.079644
      f+2     :     0.065666
      f-2     :     0.064403
      f+3     :     0.071008
      f-3     :     0.083951
 10 H s       :     0.686647  s :     0.686647
      pz      :     0.077224  p :     0.157913
      px      :     0.046769
      py      :     0.033920
      dz2     :     0.011364  d :     0.029568
      dxz     :     0.009689
      dyz     :     0.006839
      dx2y2   :     0.000372
      dxy     :     0.001304
 11 H s       :     0.687036  s :     0.687036
      pz      :     0.041528  p :     0.152147
      px      :     0.059465
      py      :     0.051154
      dz2     :     0.003424  d :     0.029451
      dxz     :     0.005183
      dyz     :     0.004150
      dx2y2   :     0.008034
      dxy     :     0.008660
 12 O s       :     3.120988  s :     3.120988
      pz      :     1.495956  p :     4.190292
      px      :     1.443267
      py      :     1.251069
      dz2     :     0.058258  d :     0.298453
      dxz     :     0.024979
      dyz     :     0.058698
      dx2y2   :     0.065505
      dxy     :     0.091012
      f0      :     0.004268  f :     0.067435
      f+1     :     0.003438
      f-1     :     0.014649
      f+2     :     0.008845
      f-2     :     0.011516
      f+3     :     0.013042
      f-3     :     0.011678
 13 H s       :     0.576399  s :     0.576399
      pz      :     0.110494  p :     0.371775
      px      :     0.134532
      py      :     0.126749
      dz2     :     0.012530  d :     0.101747
      dxz     :     0.013905
      dyz     :     0.021028
      dx2y2   :     0.028838
      dxy     :     0.025445
 14 O s       :     3.098693  s :     3.098693
      pz      :     1.305449  p :     4.176261
      px      :     1.503296
      py      :     1.367516
      dz2     :     0.085426  d :     0.330323
      dxz     :     0.086845
      dyz     :     0.093120
      dx2y2   :     0.027297
      dxy     :     0.037635
      f0      :     0.019105  f :     0.074968
      f+1     :     0.019568
      f-1     :     0.019232
      f+2     :     0.002598
      f-2     :     0.007853
      f+3     :     0.004045
      f-3     :     0.002567
 15 H s       :     0.564315  s :     0.564315
      pz      :     0.089160  p :     0.436510
      px      :     0.114499
      py      :     0.232851
      dz2     :     0.013642  d :     0.108912
      dxz     :     0.005194
      dyz     :     0.026206
      dx2y2   :     0.031023
      dxy     :     0.032847
 16 O s       :     3.161308  s :     3.161308
      pz      :     1.380361  p :     4.392447
      px      :     1.511780
      py      :     1.500305
      dz2     :     0.011488  d :     0.102653
      dxz     :     0.020010
      dyz     :     0.036269
      dx2y2   :     0.020432
      dxy     :     0.014454
      f0      :     0.002618  f :     0.022112
      f+1     :     0.000356
      f-1     :     0.004580
      f+2     :     0.005314
      f-2     :     0.004337
      f+3     :     0.001698
      f-3     :     0.003208
 17 H s       :     0.614025  s :     0.614025
      pz      :     0.154794  p :     0.410486
      px      :     0.102449
      py      :     0.153242
      dz2     :     0.027912  d :     0.100804
      dxz     :     0.021621
      dyz     :     0.026259
      dx2y2   :     0.012787
      dxy     :     0.012224
 18 H s       :     0.621491  s :     0.621491
      pz      :     0.111292  p :     0.399984
      px      :     0.166717
      py      :     0.121975
      dz2     :     0.021638  d :     0.103432
      dxz     :     0.021280
      dyz     :     0.014044
      dx2y2   :     0.023472
      dxy     :     0.022999
 19 O s       :     3.171870  s :     3.171870
      pz      :     1.474062  p :     4.371140
      px      :     1.592651
      py      :     1.304426
      dz2     :     0.015613  d :     0.124452
      dxz     :     0.029725
      dyz     :     0.047305
      dx2y2   :     0.024271
      dxy     :     0.007538
      f0      :     0.003337  f :     0.025031
      f+1     :     0.002279
      f-1     :     0.005919
      f+2     :     0.008579
      f-2     :     0.002047
      f+3     :     0.002053
      f-3     :     0.000817
 20 H s       :     0.617714  s :     0.617714
      pz      :     0.131459  p :     0.364130
      px      :     0.110942
      py      :     0.121728
      dz2     :     0.018310  d :     0.097957
      dxz     :     0.011912
      dyz     :     0.027508
      dx2y2   :     0.017998
      dxy     :     0.022228
 21 H s       :     0.605277  s :     0.605277
      pz      :     0.181278  p :     0.423541
      px      :     0.109995
      py      :     0.132268
      dz2     :     0.025252  d :     0.101166
      dxz     :     0.016706
      dyz     :     0.026039
      dx2y2   :     0.013617
      dxy     :     0.019552
 22 O s       :     3.201479  s :     3.201479
      pz      :     1.441191  p :     4.463980
      px      :     1.392167
      py      :     1.630622
      dz2     :     0.034203  d :     0.097367
      dxz     :     0.017624
      dyz     :     0.018280
      dx2y2   :     0.019579
      dxy     :     0.007681
      f0      :     0.002973  f :     0.019500
      f+1     :     0.003586
      f-1     :     0.004764
      f+2     :     0.001794
      f-2     :     0.001671
      f+3     :     0.002913
      f-3     :     0.001798
 23 H s       :     0.621926  s :     0.621926
      pz      :     0.198078  p :     0.425422
      px      :     0.091437
      py      :     0.135907
      dz2     :     0.035907  d :     0.104527
      dxz     :     0.024332
      dyz     :     0.031729
      dx2y2   :     0.007168
      dxy     :     0.005392
 24 H s       :     0.619078  s :     0.619078
      pz      :     0.085589  p :     0.356920
      px      :     0.164629
      py      :     0.106702
      dz2     :     0.012409  d :     0.092031
      dxz     :     0.023126
      dyz     :     0.002907
      dx2y2   :     0.024936
      dxy     :     0.028653
 25 O s       :     3.177274  s :     3.177274
      pz      :     1.591445  p :     4.393063
      px      :     1.459407
      py      :     1.342212
      dz2     :     0.028437  d :     0.138915
      dxz     :     0.026868
      dyz     :     0.012496
      dx2y2   :     0.047066
      dxy     :     0.024047
      f0      :     0.001418  f :     0.023593
      f+1     :     0.004378
      f-1     :     0.002930
      f+2     :     0.001968
      f-2     :     0.000528
      f+3     :     0.004570
      f-3     :     0.007800
 26 H s       :     0.585230  s :     0.585230
      pz      :     0.098417  p :     0.366002
      px      :     0.088728
      py      :     0.178857
      dz2     :     0.008678  d :     0.089416
      dxz     :     0.001225
      dyz     :     0.029363
      dx2y2   :     0.022224
      dxy     :     0.027925
 27 H s       :     0.622046  s :     0.622046
      pz      :     0.116918  p :     0.414195
      px      :     0.196418
      py      :     0.100859
      dz2     :     0.008522  d :     0.108702
      dxz     :     0.033668
      dyz     :     0.005401
      dx2y2   :     0.035120
      dxy     :     0.025991
 28 O s       :     3.198343  s :     3.198343
      pz      :     1.565439  p :     4.414853
      px      :     1.371844
      py      :     1.477571
      dz2     :     0.032470  d :     0.106698
      dxz     :     0.013216
      dyz     :     0.010809
      dx2y2   :     0.036342
      dxy     :     0.013860
      f0      :     0.003487  f :     0.018696
      f+1     :     0.001681
      f-1     :     0.001680
      f+2     :     0.002261
      f-2     :     0.000439
      f+3     :     0.006164
      f-3     :     0.002985
 29 H s       :     0.625553  s :     0.625553
      pz      :     0.111657  p :     0.418062
      px      :     0.096766
      py      :     0.209639
      dz2     :     0.010648  d :     0.100793
      dxz     :     0.005468
      dyz     :     0.029612
      dx2y2   :     0.030927
      dxy     :     0.024138
 30 H s       :     0.582753  s :     0.582753
      pz      :     0.110568  p :     0.414398
      px      :     0.220596
      py      :     0.083234
      dz2     :     0.011686  d :     0.088730
      dxz     :     0.028094
      dyz     :     0.002640
      dx2y2   :     0.021804
      dxy     :     0.024506
 31 O s       :     3.258945  s :     3.258945
      pz      :     1.384700  p :     4.525723
      px      :     1.514454
      py      :     1.626568
      dz2     :     0.020610  d :     0.067975
      dxz     :     0.011111
      dyz     :     0.012633
      dx2y2   :     0.011738
      dxy     :     0.011883
      f0      :     0.004058  f :     0.016843
      f+1     :     0.001218
      f-1     :     0.004442
      f+2     :     0.001294
      f-2     :     0.002219
      f+3     :     0.000399
      f-3     :     0.003214
 32 H s       :     0.591275  s :     0.591275
      pz      :     0.146075  p :     0.331398
      px      :     0.079550
      py      :     0.105772
      dz2     :     0.028135  d :     0.083786
      dxz     :     0.021961
      dyz     :     0.027315
      dx2y2   :     0.003555
      dxy     :     0.002819
 33 H s       :     0.616739  s :     0.616739
      pz      :     0.094783  p :     0.433486
      px      :     0.201818
      py      :     0.136885
      dz2     :     0.014121  d :     0.093310
      dxz     :     0.018767
      dyz     :     0.008159
      dx2y2   :     0.026714
      dxy     :     0.025548
 34 O s       :     3.242709  s :     3.242709
      pz      :     1.605740  p :     4.573120
      px      :     1.558807
      py      :     1.408573
      dz2     :     0.002099  d :     0.061812
      dxz     :     0.012041
      dyz     :     0.016003
      dx2y2   :     0.005020
      dxy     :     0.026649
      f0      :     0.002220  f :     0.016368
      f+1     :     0.000172
      f-1     :     0.001745
      f+2     :     0.000305
      f-2     :     0.004938
      f+3     :     0.003898
      f-3     :     0.003090
 35 H s       :     0.612063  s :     0.612063
      pz      :     0.113952  p :     0.377654
      px      :     0.129775
      py      :     0.133927
      dz2     :     0.015118  d :     0.092137
      dxz     :     0.014695
      dyz     :     0.016671
      dx2y2   :     0.021671
      dxy     :     0.023982
 36 H s       :     0.613952  s :     0.613952
      pz      :     0.111252  p :     0.351441
      px      :     0.129889
      py      :     0.110300
      dz2     :     0.016045  d :     0.091046
      dxz     :     0.016299
      dyz     :     0.016010
      dx2y2   :     0.020667
      dxy     :     0.022025
 37 O s       :     3.180246  s :     3.180246
      pz      :     1.429506  p :     4.475138
      px      :     1.602940
      py      :     1.442692
      dz2     :     0.032407  d :     0.088908
      dxz     :     0.012797
      dyz     :     0.015773
      dx2y2   :     0.014972
      dxy     :     0.012960
      f0      :     0.003088  f :     0.016321
      f+1     :     0.003322
      f-1     :     0.003372
      f+2     :     0.002231
      f-2     :     0.000398
      f+3     :     0.002597
      f-3     :     0.001314
 38 H s       :     0.618929  s :     0.618929
      pz      :     0.081512  p :     0.365759
      px      :     0.113089
      py      :     0.171158
      dz2     :     0.011382  d :     0.096083
      dxz     :     0.004870
      dyz     :     0.022140
      dx2y2   :     0.028844
      dxy     :     0.028848
 39 H s       :     0.629086  s :     0.629086
      pz      :     0.176314  p :     0.384242
      px      :     0.122160
      py      :     0.085768
      dz2     :     0.036541  d :     0.101810
      dxz     :     0.029866
      dyz     :     0.023997
      dx2y2   :     0.006275
      dxy     :     0.005132
 40 O s       :     3.194227  s :     3.194227
      pz      :     1.304594  p :     4.460645
      px      :     1.553483
      py      :     1.602567
      dz2     :     0.026448  d :     0.111367
      dxz     :     0.032701
      dyz     :     0.031991
      dx2y2   :     0.008678
      dxy     :     0.011548
      f0      :     0.002121  f :     0.018405
      f+1     :     0.005355
      f-1     :     0.003505
      f+2     :     0.000999
      f-2     :     0.005035
      f+3     :     0.000544
      f-3     :     0.000846
 41 H s       :     0.630912  s :     0.630912
      pz      :     0.163085  p :     0.405851
      px      :     0.123069
      py      :     0.119697
      dz2     :     0.028286  d :     0.103931
      dxz     :     0.032276
      dyz     :     0.031081
      dx2y2   :     0.006787
      dxy     :     0.005502
 42 H s       :     0.586057  s :     0.586057
      pz      :     0.162914  p :     0.448966
      px      :     0.138330
      py      :     0.147722
      dz2     :     0.020403  d :     0.089880
      dxz     :     0.019752
      dyz     :     0.019303
      dx2y2   :     0.016444
      dxy     :     0.013977
 43 O s       :     3.193020  s :     3.193020
      pz      :     1.607107  p :     4.455046
      px      :     1.346467
      py      :     1.501472
      dz2     :     0.012019  d :     0.070819
      dxz     :     0.007506
      dyz     :     0.008618
      dx2y2   :     0.014387
      dxy     :     0.028289
      f0      :     0.001507  f :     0.017036
      f+1     :     0.002219
      f-1     :     0.000684
      f+2     :     0.000636
      f-2     :     0.002207
      f+3     :     0.004562
      f-3     :     0.005221
 44 H s       :     0.585109  s :     0.585109
      pz      :     0.100908  p :     0.324319
      px      :     0.083357
      py      :     0.140054
      dz2     :     0.011770  d :     0.083236
      dxz     :     0.010130
      dyz     :     0.018941
      dx2y2   :     0.023254
      dxy     :     0.019140
 45 H s       :     0.655628  s :     0.655628
      pz      :     0.141561  p :     0.460324
      px      :     0.172305
      py      :     0.146458
      dz2     :     0.010788  d :     0.122274
      dxz     :     0.036535
      dyz     :     0.008446
      dx2y2   :     0.029983
      dxy     :     0.036522
 46 O s       :     3.188524  s :     3.188524
      pz      :     1.581846  p :     4.492471
      px      :     1.364383
      py      :     1.546242
      dz2     :     0.007875  d :     0.076345
      dxz     :     0.018750
      dyz     :     0.013200
      dx2y2   :     0.019488
      dxy     :     0.017033
      f0      :     0.002280  f :     0.016893
      f+1     :     0.000884
      f-1     :     0.001143
      f+2     :     0.004660
      f-2     :     0.004047
      f+3     :     0.003492
      f-3     :     0.000388
 47 H s       :     0.591168  s :     0.591168
      pz      :     0.155348  p :     0.458418
      px      :     0.123118
      py      :     0.179953
      dz2     :     0.021546  d :     0.099250
      dxz     :     0.015282
      dyz     :     0.021931
      dx2y2   :     0.023854
      dxy     :     0.016637
 48 H s       :     0.626631  s :     0.626631
      pz      :     0.126169  p :     0.384914
      px      :     0.154499
      py      :     0.104246
      dz2     :     0.014432  d :     0.102174
      dxz     :     0.030919
      dyz     :     0.006254
      dx2y2   :     0.023189
      dxy     :     0.027380
 49 O s       :     3.179560  s :     3.179560
      pz      :     1.475775  p :     4.411550
      px      :     1.356828
      py      :     1.578947
      dz2     :     0.019189  d :     0.090044
      dxz     :     0.011959
      dyz     :     0.019520
      dx2y2   :     0.028140
      dxy     :     0.011236
      f0      :     0.001030  f :     0.017580
      f+1     :     0.004235
      f-1     :     0.003302
      f+2     :     0.001743
      f-2     :     0.002030
      f+3     :     0.004252
      f-3     :     0.000988
 50 H s       :     0.625009  s :     0.625009
      pz      :     0.162676  p :     0.380890
      px      :     0.087241
      py      :     0.130973
      dz2     :     0.034619  d :     0.102622
      dxz     :     0.020001
      dyz     :     0.027428
      dx2y2   :     0.011715
      dxy     :     0.008860
 51 H s       :     0.614591  s :     0.614591
      pz      :     0.092563  p :     0.371517
      px      :     0.172608
      py      :     0.106346
      dz2     :     0.008624  d :     0.099924
      dxz     :     0.030989
      dyz     :     0.000093
      dx2y2   :     0.025220
      dxy     :     0.034999
 52 O s       :     3.199491  s :     3.199491
      pz      :     1.387229  p :     4.485533
      px      :     1.616842
      py      :     1.481462
      dz2     :     0.041950  d :     0.109191
      dxz     :     0.015314
      dyz     :     0.022965
      dx2y2   :     0.008843
      dxy     :     0.020120
      f0      :     0.004795  f :     0.016808
      f+1     :     0.002735
      f-1     :     0.002170
      f+2     :     0.000554
      f-2     :     0.002721
      f+3     :     0.003059
      f-3     :     0.000775
 53 H s       :     0.594986  s :     0.594986
      pz      :     0.189565  p :     0.387681
      px      :     0.099880
      py      :     0.098236
      dz2     :     0.032088  d :     0.088197
      dxz     :     0.026607
      dyz     :     0.022652
      dx2y2   :     0.003323
      dxy     :     0.003527
 54 H s       :     0.618760  s :     0.618760
      pz      :     0.099992  p :     0.406906
      px      :     0.139194
      py      :     0.167720
      dz2     :     0.014200  d :     0.096963
      dxz     :     0.009525
      dyz     :     0.018234
      dx2y2   :     0.029389
      dxy     :     0.025615
 55 O s       :     3.181595  s :     3.181595
      pz      :     1.467457  p :     4.508019
      px      :     1.497223
      py      :     1.543340
      dz2     :     0.004405  d :     0.085791
      dxz     :     0.026646
      dyz     :     0.026855
      dx2y2   :     0.020880
      dxy     :     0.007005
      f0      :     0.002766  f :     0.017559
      f+1     :     0.001130
      f-1     :     0.001334
      f+2     :     0.005647
      f-2     :     0.002653
      f+3     :     0.001483
      f-3     :     0.002545
 56 H s       :     0.628387  s :     0.628387
      pz      :     0.148182  p :     0.468526
      px      :     0.113543
      py      :     0.206801
      dz2     :     0.026495  d :     0.109802
      dxz     :     0.013465
      dyz     :     0.026471
      dx2y2   :     0.021007
      dxy     :     0.022364
 57 H s       :     0.604271  s :     0.604271
      pz      :     0.165419  p :     0.467968
      px      :     0.198488
      py      :     0.104061
      dz2     :     0.023341  d :     0.098814
      dxz     :     0.023248
      dyz     :     0.012479
      dx2y2   :     0.019594
      dxy     :     0.020151
 58 O s       :     3.211132  s :     3.211132
      pz      :     1.639813  p :     4.451666
      px      :     1.306832
      py      :     1.505021
      dz2     :     0.009109  d :     0.083449
      dxz     :     0.015956
      dyz     :     0.014485
      dx2y2   :     0.013830
      dxy     :     0.030068
      f0      :     0.002481  f :     0.019285
      f+1     :     0.000219
      f-1     :     0.001244
      f+2     :     0.002558
      f-2     :     0.004611
      f+3     :     0.004721
      f-3     :     0.003451
 59 H s       :     0.611823  s :     0.611823
      pz      :     0.120897  p :     0.367254
      px      :     0.138108
      py      :     0.108249
      dz2     :     0.014094  d :     0.097147
      dxz     :     0.028517
      dyz     :     0.005812
      dx2y2   :     0.020035
      dxy     :     0.028689
 60 H s       :     0.619604  s :     0.619604
      pz      :     0.130886  p :     0.392134
      px      :     0.104625
      py      :     0.156623
      dz2     :     0.014269  d :     0.098986
      dxz     :     0.014980
      dyz     :     0.019440
      dx2y2   :     0.028937
      dxy     :     0.021361
 61 O s       :     3.179394  s :     3.179394
      pz      :     1.624515  p :     4.443010
      px      :     1.519454
      py      :     1.299040
      dz2     :     0.011451  d :     0.069973
      dxz     :     0.010776
      dyz     :     0.004822
      dx2y2   :     0.009886
      dxy     :     0.033038
      f0      :     0.001435  f :     0.016893
      f+1     :     0.001421
      f-1     :     0.002284
      f+2     :     0.000247
      f-2     :     0.001426
      f+3     :     0.006220
      f-3     :     0.003861
 62 H s       :     0.634842  s :     0.634842
      pz      :     0.129645  p :     0.407542
      px      :     0.161051
      py      :     0.116846
      dz2     :     0.012196  d :     0.109730
      dxz     :     0.020736
      dyz     :     0.019029
      dx2y2   :     0.032299
      dxy     :     0.025470
 63 H s       :     0.609013  s :     0.609013
      pz      :     0.108139  p :     0.366724
      px      :     0.123239
      py      :     0.135345
      dz2     :     0.008951  d :     0.097716
      dxz     :     0.008463
      dyz     :     0.026016
      dx2y2   :     0.024728
      dxy     :     0.029558
 64 O s       :     3.209777  s :     3.209777
      pz      :     1.564066  p :     4.525148
      px      :     1.546542
      py      :     1.414540
      dz2     :     0.005687  d :     0.070047
      dxz     :     0.014521
      dyz     :     0.024453
      dx2y2   :     0.009191
      dxy     :     0.016195
      f0      :     0.002012  f :     0.016121
      f+1     :     0.001926
      f-1     :     0.001978
      f+2     :     0.002584
      f-2     :     0.004939
      f+3     :     0.001090
      f-3     :     0.001593
 65 H s       :     0.583365  s :     0.583365
      pz      :     0.132706  p :     0.444295
      px      :     0.105487
      py      :     0.206102
      dz2     :     0.013310  d :     0.086948
      dxz     :     0.009913
      dyz     :     0.023772
      dx2y2   :     0.021563
      dxy     :     0.018390
 66 H s       :     0.643921  s :     0.643921
      pz      :     0.155750  p :     0.410953
      px      :     0.143047
      py      :     0.112157
      dz2     :     0.025386  d :     0.108792
      dxz     :     0.023421
      dyz     :     0.019878
      dx2y2   :     0.024189
      dxy     :     0.015918
 67 O s       :     3.137795  s :     3.137795
      pz      :     1.312377  p :     4.412346
      px      :     1.494948
      py      :     1.605022
      dz2     :     0.035598  d :     0.106782
      dxz     :     0.031080
      dyz     :     0.007250
      dx2y2   :     0.016315
      dxy     :     0.016538
      f0      :     0.006501  f :     0.019300
      f+1     :     0.003528
      f-1     :     0.000971
      f+2     :     0.002591
      f-2     :     0.002627
      f+3     :     0.000675
      f-3     :     0.002407
 68 H s       :     0.637669  s :     0.637669
      pz      :     0.111269  p :     0.465426
      px      :     0.205852
      py      :     0.148305
      dz2     :     0.023602  d :     0.115189
      dxz     :     0.022622
      dyz     :     0.013402
      dx2y2   :     0.028762
      dxy     :     0.026801
 69 H s       :     0.603209  s :     0.603209
      pz      :     0.221686  p :     0.452470
      px      :     0.117303
      py      :     0.113481
      dz2     :     0.030138  d :     0.101248
      dxz     :     0.033773
      dyz     :     0.034187
      dx2y2   :     0.001367
      dxy     :     0.001783
 70 O s       :     3.218977  s :     3.218977
      pz      :     1.336362  p :     4.480248
      px      :     1.631370
      py      :     1.512517
      dz2     :     0.017109  d :     0.096792
      dxz     :     0.009035
      dyz     :     0.053459
      dx2y2   :     0.009601
      dxy     :     0.007589
      f0      :     0.002640  f :     0.019738
      f+1     :     0.000299
      f-1     :     0.007402
      f+2     :     0.003754
      f-2     :     0.003396
      f+3     :     0.001598
      f-3     :     0.000649
 71 H s       :     0.616266  s :     0.616266
      pz      :     0.114119  p :     0.405488
      px      :     0.125763
      py      :     0.165606
      dz2     :     0.020785  d :     0.098056
      dxz     :     0.013999
      dyz     :     0.021178
      dx2y2   :     0.021523
      dxy     :     0.020571
 72 H s       :     0.598302  s :     0.598302
      pz      :     0.165075  p :     0.393431
      px      :     0.101587
      py      :     0.126768
      dz2     :     0.025098  d :     0.091165
      dxz     :     0.024002
      dyz     :     0.029101
      dx2y2   :     0.006145
      dxy     :     0.006818
 73 O s       :     3.206168  s :     3.206168
      pz      :     1.313206  p :     4.561611
      px      :     1.563621
      py      :     1.684784
      dz2     :     0.035541  d :     0.076634
      dxz     :     0.028527
      dyz     :     0.004848
      dx2y2   :     0.003817
      dxy     :     0.003901
      f0      :     0.004126  f :     0.015620
      f+1     :     0.003824
      f-1     :     0.001846
      f+2     :     0.002561
      f-2     :     0.001794
      f+3     :     0.000545
      f-3     :     0.000924
 74 H s       :     0.627994  s :     0.627994
      pz      :     0.129739  p :     0.430107
      px      :     0.174473
      py      :     0.125895
      dz2     :     0.022684  d :     0.100946
      dxz     :     0.023003
      dyz     :     0.015597
      dx2y2   :     0.019153
      dxy     :     0.020509
 75 H s       :     0.600490  s :     0.600490
      pz      :     0.239350  p :     0.450203
      px      :     0.102772
      py      :     0.108081
      dz2     :     0.028172  d :     0.090980
      dxz     :     0.028690
      dyz     :     0.030336
      dx2y2   :     0.001729
      dxy     :     0.002053
 76 O s       :     3.193866  s :     3.193866
      pz      :     1.577614  p :     4.510526
      px      :     1.475023
      py      :     1.457889
      dz2     :     0.005395  d :     0.068109
      dxz     :     0.017185
      dyz     :     0.013506
      dx2y2   :     0.012608
      dxy     :     0.019416
      f0      :     0.001783  f :     0.015047
      f+1     :     0.001416
      f-1     :     0.001044
      f+2     :     0.003545
      f-2     :     0.003180
      f+3     :     0.002551
      f-3     :     0.001528
 77 H s       :     0.628646  s :     0.628646
      pz      :     0.130544  p :     0.453203
      px      :     0.117061
      py      :     0.205598
      dz2     :     0.011457  d :     0.103230
      dxz     :     0.010169
      dyz     :     0.026755
      dx2y2   :     0.030951
      dxy     :     0.023898
 78 H s       :     0.623108  s :     0.623108
      pz      :     0.141743  p :     0.368635
      px      :     0.136134
      py      :     0.090757
      dz2     :     0.022473  d :     0.096143
      dxz     :     0.024319
      dyz     :     0.013229
      dx2y2   :     0.020060
      dxy     :     0.016062
 79 O s       :     3.151652  s :     3.151652
      pz      :     1.586979  p :     4.351466
      px      :     1.374116
      py      :     1.390371
      dz2     :     0.033488  d :     0.131357
      dxz     :     0.017661
      dyz     :     0.008060
      dx2y2   :     0.057822
      dxy     :     0.014326
      f0      :     0.002243  f :     0.022805
      f+1     :     0.003249
      f-1     :     0.003588
      f+2     :     0.002051
      f-2     :     0.000806
      f+3     :     0.006627
      f-3     :     0.004242
 80 H s       :     0.617194  s :     0.617194
      pz      :     0.109616  p :     0.378765
      px      :     0.091130
      py      :     0.178019
      dz2     :     0.008852  d :     0.104006
      dxz     :     0.004401
      dyz     :     0.032862
      dx2y2   :     0.032277
      dxy     :     0.025614
 81 H s       :     0.597223  s :     0.597223
      pz      :     0.112292  p :     0.355509
      px      :     0.165012
      py      :     0.078205
      dz2     :     0.012348  d :     0.097117
      dxz     :     0.032575
      dyz     :     0.002151
      dx2y2   :     0.023786
      dxy     :     0.026256
 82 O s       :     3.221994  s :     3.221994
      pz      :     1.335559  p :     4.497833
      px      :     1.489393
      py      :     1.672882
      dz2     :     0.025926  d :     0.070415
      dxz     :     0.024825
      dyz     :     0.006542
      dx2y2   :     0.008409
      dxy     :     0.004713
      f0      :     0.004257  f :     0.018810
      f+1     :     0.005533
      f-1     :     0.001485
      f+2     :     0.004467
      f-2     :     0.000586
      f+3     :     0.002108
      f-3     :     0.000376
 83 H s       :     0.608216  s :     0.608216
      pz      :     0.198534  p :     0.437980
      px      :     0.116723
      py      :     0.122723
      dz2     :     0.027441  d :     0.099090
      dxz     :     0.031655
      dyz     :     0.030300
      dx2y2   :     0.004556
      dxy     :     0.005138
 84 H s       :     0.617615  s :     0.617615
      pz      :     0.094642  p :     0.379391
      px      :     0.169483
      py      :     0.115266
      dz2     :     0.019395  d :     0.099085
      dxz     :     0.022644
      dyz     :     0.008583
      dx2y2   :     0.021741
      dxy     :     0.026721
 85 O s       :     3.263292  s :     3.263292
      pz      :     1.524683  p :     4.533761
      px      :     1.389597
      py      :     1.619480
      dz2     :     0.016349  d :     0.064551
      dxz     :     0.008004
      dyz     :     0.011238
      dx2y2   :     0.018787
      dxy     :     0.010173
      f0      :     0.000620  f :     0.016842
      f+1     :     0.003714
      f-1     :     0.003809
      f+2     :     0.001336
      f-2     :     0.001837
      f+3     :     0.003136
      f-3     :     0.002389
 86 H s       :     0.594906  s :     0.594906
      pz      :     0.143558  p :     0.327839
      px      :     0.071332
      py      :     0.112949
      dz2     :     0.027187  d :     0.082031
      dxz     :     0.015188
      dyz     :     0.023197
      dx2y2   :     0.009152
      dxy     :     0.007308
 87 H s       :     0.615945  s :     0.615945
      pz      :     0.088086  p :     0.356089
      px      :     0.163644
      py      :     0.104359
      dz2     :     0.008854  d :     0.091403
      dxz     :     0.026336
      dyz     :     0.001026
      dx2y2   :     0.024302
      dxy     :     0.030886
 88 O s       :     3.181968  s :     3.181968
      pz      :     1.448097  p :     4.462093
      px      :     1.565671
      py      :     1.448325
      dz2     :     0.023460  d :     0.077708
      dxz     :     0.016005
      dyz     :     0.010344
      dx2y2   :     0.006856
      dxy     :     0.021044
      f0      :     0.003454  f :     0.018291
      f+1     :     0.004636
      f-1     :     0.003869
      f+2     :     0.001077
      f-2     :     0.000967
      f+3     :     0.003218
      f-3     :     0.001070
 89 H s       :     0.613679  s :     0.613679
      pz      :     0.173256  p :     0.375367
      px      :     0.112361
      py      :     0.089750
      dz2     :     0.035908  d :     0.100552
      dxz     :     0.028666
      dyz     :     0.024607
      dx2y2   :     0.005986
      dxy     :     0.005385
 90 H s       :     0.628223  s :     0.628223
      pz      :     0.096456  p :     0.387820
      px      :     0.125287
      py      :     0.166078
      dz2     :     0.008134  d :     0.103967
      dxz     :     0.007665
      dyz     :     0.025506
      dx2y2   :     0.034316
      dxy     :     0.028345
 91 O s       :     3.194390  s :     3.194390
      pz      :     1.490804  p :     4.429843
      px      :     1.283492
      py      :     1.655547
      dz2     :     0.008214  d :     0.103483
      dxz     :     0.050921
      dyz     :     0.018807
      dx2y2   :     0.020752
      dxy     :     0.004790
      f0      :     0.002681  f :     0.020289
      f+1     :     0.004104
      f-1     :     0.002096
      f+2     :     0.006534
      f-2     :     0.001963
      f+3     :     0.001655
      f-3     :     0.001257
 92 H s       :     0.607013  s :     0.607013
      pz      :     0.155871  p :     0.450423
      px      :     0.180703
      py      :     0.113849
      dz2     :     0.018545  d :     0.096176
      dxz     :     0.026649
      dyz     :     0.013098
      dx2y2   :     0.016426
      dxy     :     0.021459
 93 H s       :     0.620833  s :     0.620833
      pz      :     0.121156  p :     0.346165
      px      :     0.121729
      py      :     0.103279
      dz2     :     0.015295  d :     0.091083
      dxz     :     0.027483
      dyz     :     0.009234
      dx2y2   :     0.016633
      dxy     :     0.022437
 94 O s       :     3.196938  s :     3.196938
      pz      :     1.526728  p :     4.469056
      px      :     1.653080
      py      :     1.289248
      dz2     :     0.007545  d :     0.075106
      dxz     :     0.006007
      dyz     :     0.034146
      dx2y2   :     0.019574
      dxy     :     0.007834
      f0      :     0.001853  f :     0.016918
      f+1     :     0.000649
      f-1     :     0.003957
      f+2     :     0.003315
      f-2     :     0.003649
      f+3     :     0.002546
      f-3     :     0.000949
 95 H s       :     0.620200  s :     0.620200
      pz      :     0.148347  p :     0.368646
      px      :     0.118217
      py      :     0.102082
      dz2     :     0.026612  d :     0.098112
      dxz     :     0.018119
      dyz     :     0.022810
      dx2y2   :     0.014117
      dxy     :     0.016454
 96 H s       :     0.620692  s :     0.620692
      pz      :     0.111633  p :     0.374491
      px      :     0.117000
      py      :     0.145858
      dz2     :     0.010977  d :     0.100787
      dxz     :     0.004835
      dyz     :     0.031583
      dx2y2   :     0.022428
      dxy     :     0.030964
 97 O s       :     3.177393  s :     3.177393
      pz      :     1.435270  p :     4.427750
      px      :     1.351342
      py      :     1.641138
      dz2     :     0.042522  d :     0.099879
      dxz     :     0.015735
      dyz     :     0.016440
      dx2y2   :     0.021270
      dxy     :     0.003912
      f0      :     0.003649  f :     0.020012
      f+1     :     0.005633
      f-1     :     0.004149
      f+2     :     0.001049
      f-2     :     0.001033
      f+3     :     0.003552
      f-3     :     0.000948
 98 H s       :     0.626181  s :     0.626181
      pz      :     0.095061  p :     0.384118
      px      :     0.170737
      py      :     0.118320
      dz2     :     0.008327  d :     0.103185
      dxz     :     0.032810
      dyz     :     0.000237
      dx2y2   :     0.025013
      dxy     :     0.036799
 99 H s       :     0.597772  s :     0.597772
      pz      :     0.241045  p :     0.469931
      px      :     0.098604
      py      :     0.130281
      dz2     :     0.036066  d :     0.101861
      dxz     :     0.022985
      dyz     :     0.030039
      dx2y2   :     0.006997
      dxy     :     0.005775
100 O s       :     3.196780  s :     3.196780
      pz      :     1.442940  p :     4.479395
      px      :     1.423935
      py      :     1.612519
      dz2     :     0.031679  d :     0.073270
      dxz     :     0.007266
      dyz     :     0.009482
      dx2y2   :     0.012671
      dxy     :     0.012171
      f0      :     0.003845  f :     0.017393
      f+1     :     0.004195
      f-1     :     0.003525
      f+2     :     0.001124
      f-2     :     0.000178
      f+3     :     0.002010
      f-3     :     0.002516
101 H s       :     0.625206  s :     0.625206
      pz      :     0.086471  p :     0.366771
      px      :     0.166393
      py      :     0.113906
      dz2     :     0.009249  d :     0.095281
      dxz     :     0.024679
      dyz     :     0.003528
      dx2y2   :     0.028641
      dxy     :     0.029185
102 H s       :     0.621652  s :     0.621652
      pz      :     0.179624  p :     0.394398
      px      :     0.092973
      py      :     0.121801
      dz2     :     0.037307  d :     0.105531
      dxz     :     0.027135
      dyz     :     0.032529
      dx2y2   :     0.004471
      dxy     :     0.004090
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      6.0071     6.0000    -0.0071     3.3298     3.3298     0.0000
  1 H      0.7824     1.0000     0.2176     0.9854     0.9854     0.0000
  2 H      0.7557     1.0000     0.2443     0.8911     0.8911    -0.0000
  3 C      6.3860     6.0000    -0.3860     3.9990     3.9990     0.0000
  4 H      0.8957     1.0000     0.1043     1.0370     1.0370     0.0000
  5 H      0.8808     1.0000     0.1192     1.0080     1.0080    -0.0000
  6 C      6.0094     6.0000    -0.0094     3.2446     3.2446     0.0000
  7 H      0.9196     1.0000     0.0804     1.0860     1.0860     0.0000
  8 H      0.8799     1.0000     0.1201     1.0209     1.0209    -0.0000
  9 C      6.3113     6.0000    -0.3113     3.7537     3.7537     0.0000
 10 H      0.7903     1.0000     0.2097     0.9805     0.9805     0.0000
 11 H      0.7750     1.0000     0.2250     0.9492     0.9492    -0.0000
 12 O      8.4628     8.0000    -0.4628     1.8350     1.8350    -0.0000
 13 H      0.7776     1.0000     0.2224     0.9989     0.9989    -0.0000
 14 O      8.5428     8.0000    -0.5428     1.7198     1.7198     0.0000
 15 H      0.8428     1.0000     0.1572     1.0686     1.0686     0.0000
 16 O      8.4863     8.0000    -0.4863     2.0864     2.0864     0.0000
 17 H      0.7545     1.0000     0.2455     0.9708     0.9708     0.0000
 18 H      0.7611     1.0000     0.2389     0.9652     0.9652    -0.0000
 19 O      8.5240     8.0000    -0.5240     1.9626     1.9626    -0.0000
 20 H      0.7964     1.0000     0.2036     1.0179     1.0179    -0.0000
 21 H      0.6684     1.0000     0.3316     0.9185     0.9185     0.0000
 22 O      8.4968     8.0000    -0.4968     1.9603     1.9603     0.0000
 23 H      0.7359     1.0000     0.2641     0.9438     0.9438    -0.0000
 24 H      0.7734     1.0000     0.2266     0.9940     0.9940    -0.0000
 25 O      8.5729     8.0000    -0.5729     2.0386     2.0386     0.0000
 26 H      0.6833     1.0000     0.3167     0.9612     0.9612     0.0000
 27 H      0.7427     1.0000     0.2573     0.9116     0.9116    -0.0000
 28 O      8.6003     8.0000    -0.6003     1.9373     1.9373    -0.0000
 29 H      0.7395     1.0000     0.2605     0.9674     0.9674     0.0000
 30 H      0.6296     1.0000     0.3704     0.8677     0.8677     0.0000
 31 O      8.6546     8.0000    -0.6546     1.8081     1.8081    -0.0000
 32 H      0.6319     1.0000     0.3681     0.8958     0.8958     0.0000
 33 H      0.6971     1.0000     0.3029     0.9180     0.9180     0.0000
 34 O      8.6648     8.0000    -0.6648     1.7944     1.7944    -0.0000
 35 H      0.6692     1.0000     0.3308     0.9172     0.9172     0.0000
 36 H      0.6774     1.0000     0.3226     0.9518     0.9518    -0.0000
 37 O      8.6064     8.0000    -0.6064     1.8712     1.8712    -0.0000
 38 H      0.6667     1.0000     0.3333     0.9152     0.9152     0.0000
 39 H      0.7189     1.0000     0.2811     0.9550     0.9550    -0.0000
 40 O      8.5769     8.0000    -0.5769     1.8990     1.8990    -0.0000
 41 H      0.7865     1.0000     0.2135     1.0010     1.0010    -0.0000
 42 H      0.6872     1.0000     0.3128     0.9370     0.9370    -0.0000
 43 O      8.5695     8.0000    -0.5695     1.8928     1.8928    -0.0000
 44 H      0.6202     1.0000     0.3798     0.8837     0.8837    -0.0000
 45 H      0.7859     1.0000     0.2141     0.9812     0.9812    -0.0000
 46 O      8.6121     8.0000    -0.6121     1.8431     1.8431     0.0000
 47 H      0.7005     1.0000     0.2995     0.9371     0.9371    -0.0000
 48 H      0.7220     1.0000     0.2780     0.9692     0.9692     0.0000
 49 O      8.5102     8.0000    -0.5102     2.0159     2.0159    -0.0000
 50 H      0.7411     1.0000     0.2589     0.9565     0.9565     0.0000
 51 H      0.6986     1.0000     0.3014     0.9387     0.9387     0.0000
 52 O      8.5611     8.0000    -0.5611     1.8645     1.8645     0.0000
 53 H      0.7285     1.0000     0.2715     0.9802     0.9802     0.0000
 54 H      0.7486     1.0000     0.2514     0.9765     0.9765    -0.0000
 55 O      8.6177     8.0000    -0.6177     1.7913     1.7913    -0.0000
 56 H      0.7548     1.0000     0.2452     1.0318     1.0318    -0.0000
 57 H      0.6895     1.0000     0.3105     0.9259     0.9259     0.0000
 58 O      8.5667     8.0000    -0.5667     1.8604     1.8604     0.0000
 59 H      0.6858     1.0000     0.3142     0.9296     0.9296    -0.0000
 60 H      0.7187     1.0000     0.2813     0.9446     0.9446    -0.0000
 61 O      8.5534     8.0000    -0.5534     1.9638     1.9638     0.0000
 62 H      0.7494     1.0000     0.2506     0.9863     0.9863     0.0000
 63 H      0.6646     1.0000     0.3354     0.9214     0.9214     0.0000
 64 O      8.6148     8.0000    -0.6148     1.8873     1.8873     0.0000
 65 H      0.6518     1.0000     0.3482     0.9369     0.9369     0.0000
 66 H      0.7585     1.0000     0.2415     0.9886     0.9886    -0.0000
 67 O      8.5959     8.0000    -0.5959     2.0204     2.0204     0.0000
 68 H      0.7359     1.0000     0.2641     0.9407     0.9407    -0.0000
 69 H      0.6837     1.0000     0.3163     0.9545     0.9545     0.0000
 70 O      8.6109     8.0000    -0.6109     1.9066     1.9066    -0.0000
 71 H      0.6936     1.0000     0.3064     0.8986     0.8986    -0.0000
 72 H      0.6584     1.0000     0.3416     0.9437     0.9437    -0.0000
 73 O      8.7430     8.0000    -0.7430     1.7445     1.7445     0.0000
 74 H      0.6920     1.0000     0.3080     0.9465     0.9465     0.0000
 75 H      0.6332     1.0000     0.3668     0.9161     0.9161     0.0000
 76 O      8.6012     8.0000    -0.6012     1.8975     1.8975     0.0000
 77 H      0.7211     1.0000     0.2789     0.9846     0.9846     0.0000
 78 H      0.6840     1.0000     0.3160     0.9469     0.9469    -0.0000
 79 O      8.4787     8.0000    -0.4787     1.9630     1.9630    -0.0000
 80 H      0.7942     1.0000     0.2058     0.9881     0.9881    -0.0000
 81 H      0.6786     1.0000     0.3214     0.9225     0.9225    -0.0000
 82 O      8.5621     8.0000    -0.5621     1.8600     1.8600    -0.0000
 83 H      0.7351     1.0000     0.2649     0.9723     0.9723    -0.0000
 84 H      0.7160     1.0000     0.2840     0.9530     0.9530     0.0000
 85 O      8.6776     8.0000    -0.6776     1.8359     1.8359    -0.0000
 86 H      0.6253     1.0000     0.3747     0.8842     0.8842    -0.0000
 87 H      0.6861     1.0000     0.3139     0.9439     0.9439    -0.0000
 88 O      8.5525     8.0000    -0.5525     1.8785     1.8785    -0.0000
 89 H      0.6961     1.0000     0.3039     0.9399     0.9399    -0.0000
 90 H      0.7175     1.0000     0.2825     0.9352     0.9352    -0.0000
 91 O      8.5452     8.0000    -0.5452     1.8620     1.8620    -0.0000
 92 H      0.6962     1.0000     0.3038     0.9377     0.9377     0.0000
 93 H      0.7373     1.0000     0.2627     0.9638     0.9638    -0.0000
 94 O      8.5411     8.0000    -0.5411     1.9329     1.9329    -0.0000
 95 H      0.7229     1.0000     0.2771     0.9643     0.9643    -0.0000
 96 H      0.7177     1.0000     0.2823     0.9525     0.9525    -0.0000
 97 O      8.5467     8.0000    -0.5467     1.9147     1.9147     0.0000
 98 H      0.7509     1.0000     0.2491     0.9632     0.9632     0.0000
 99 H      0.7234     1.0000     0.2766     0.9435     0.9435     0.0000
100 O      8.5766     8.0000    -0.5766     1.9226     1.9226    -0.0000
101 H      0.7301     1.0000     0.2699     0.9787     0.9787    -0.0000
102 H      0.6934     1.0000     0.3066     0.9636     0.9636     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 ) :   0.9928 B(  0-C ,  2-H ) :   0.9133 B(  0-C ,  3-C ) :   0.8461 
B(  0-C , 14-O ) :   0.5116 B(  3-C ,  4-H ) :   1.0246 B(  3-C ,  5-H ) :   1.0857 
B(  3-C ,  6-C ) :   0.7824 B(  3-C ,  9-C ) :   0.1153 B(  3-C , 14-O ) :   0.1481 
B(  6-C ,  7-H ) :   1.0046 B(  6-C ,  8-H ) :   0.9633 B(  6-C ,  9-C ) :   0.7182 
B(  9-C , 10-H ) :   0.9957 B(  9-C , 11-H ) :   1.0029 B(  9-C , 12-O ) :   0.8643 
B( 12-O , 13-H ) :   0.9377 B( 14-O , 15-H ) :   0.9677 B( 16-O , 17-H ) :   0.9637 
B( 16-O , 18-H ) :   0.9571 B( 19-O , 20-H ) :   0.9552 B( 19-O , 21-H ) :   0.8619 
B( 22-O , 23-H ) :   0.9276 B( 22-O , 24-H ) :   0.9592 B( 25-O , 26-H ) :   0.8831 
B( 25-O , 27-H ) :   0.9572 B( 28-O , 29-H ) :   0.9447 B( 28-O , 30-H ) :   0.8082 
B( 31-O , 32-H ) :   0.8841 B( 31-O , 33-H ) :   0.8771 B( 34-O , 35-H ) :   0.8706 
B( 34-O , 36-H ) :   0.9383 B( 37-O , 38-H ) :   0.9120 B( 37-O , 39-H ) :   0.8948 
B( 40-O , 41-H ) :   0.9656 B( 40-O , 42-H ) :   0.8792 B( 43-O , 44-H ) :   0.8689 
B( 43-O , 45-H ) :   0.9803 B( 46-O , 47-H ) :   0.8509 B( 46-O , 48-H ) :   0.9565 
B( 49-O , 50-H ) :   0.9578 B( 49-O , 51-H ) :   0.9331 B( 52-O , 53-H ) :   0.9210 
B( 52-O , 54-H ) :   0.9459 B( 55-O , 56-H ) :   0.9609 B( 55-O , 57-H ) :   0.8363 
B( 58-O , 59-H ) :   0.9144 B( 58-O , 60-H ) :   0.8918 B( 61-O , 62-H ) :   0.9791 
B( 61-O , 63-H ) :   0.9136 B( 64-O , 65-H ) :   0.8598 B( 64-O , 66-H ) :   0.9785 
B( 67-O , 68-H ) :   0.9336 B( 67-O , 69-H ) :   0.9170 B( 70-O , 71-H ) :   0.8780 
B( 70-O , 72-H ) :   0.9000 B( 73-O , 74-H ) :   0.8868 B( 73-O , 75-H ) :   0.8175 
B( 76-O , 77-H ) :   0.9206 B( 76-O , 78-H ) :   0.9357 B( 79-O , 80-H ) :   0.9720 
B( 79-O , 81-H ) :   0.9219 B( 82-O , 83-H ) :   0.9061 B( 82-O , 84-H ) :   0.9389 
B( 85-O , 86-H ) :   0.8799 B( 85-O , 87-H ) :   0.9334 B( 88-O , 89-H ) :   0.9289 
B( 88-O , 90-H ) :   0.9204 B( 91-O , 92-H ) :   0.8565 B( 91-O , 93-H ) :   0.9423 
B( 94-O , 95-H ) :   0.9582 B( 94-O , 96-H ) :   0.9434 B( 97-O , 98-H ) :   0.9421 
B( 97-O , 99-H ) :   0.9068 B(100-O ,101-H ) :   0.9714 B(100-O ,102-H ) :   0.9578 


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

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

Total SCF time: 0 days 0 hours 10 min 41 sec 

Total time                  ....     641.740 sec
Sum of individual times     ....     624.222 sec  ( 97.3%)

Fock matrix formation       ....     557.767 sec  ( 86.9%)
  Split-RI-J                ....      45.563 sec  (  8.2% of F)
  Chain of spheres X        ....     470.999 sec  ( 84.4% of F)
  XC integration            ....      32.874 sec  (  5.9% of F)
    Basis function eval.    ....       6.390 sec  ( 19.4% of XC)
    Density eval.           ....      13.695 sec  ( 41.7% of XC)
    XC-Functional eval.     ....       0.313 sec  (  1.0% of XC)
    XC-Potential eval.      ....       8.447 sec  ( 25.7% of XC)
Diagonalization             ....      10.440 sec  (  1.6%)
Density matrix formation    ....       2.048 sec  (  0.3%)
Population analysis         ....       3.290 sec  (  0.5%)
Initial guess               ....       5.433 sec  (  0.8%)
Orbital Transformation      ....       0.000 sec  (  0.0%)
Orbital Orthonormalization  ....       0.000 sec  (  0.0%)
DIIS solution               ....      11.325 sec  (  1.8%)
SOSCF solution              ....      12.693 sec  (  2.0%)
Grid generation             ....      21.226 sec  (  3.3%)

Maximum memory used throughout the entire SCF-calculation: 1041.7 MB

-------------------------   --------------------
FINAL SINGLE POINT ENERGY     -2691.206110855948
-------------------------   --------------------



           ************************************************************
           *        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 ( 25.5 sec)
RI-J gradient            (SHARK) ... done ( 10.2 sec)
COSX-gradient                    ... done (117.3 sec)
Exchange-correlation gradient    ... done

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

WARNING: THERE ARE 1539 FIXED CARTESIAN COORDINATES
   1   C   :   -0.009019708   -0.006109755    0.005841941
   2   H   :   -0.013672946   -0.000910254   -0.014822683
   3   H   :    0.009993228   -0.019392565    0.003598847
   4   C   :    0.001779618    0.028631104   -0.015371881
   5   H   :    0.000370355    0.000595935    0.013564136
   6   H   :   -0.008845826    0.000065244    0.001576486
   7   C   :   -0.006464025   -0.002301824    0.002408931
   8   H   :   -0.001005984   -0.005144495    0.015145738
   9   H   :    0.000632583    0.000732432   -0.009705699
  10   C   :    0.025930905   -0.025228398   -0.034635800
  11   H   :   -0.001076767   -0.010600427    0.014118628
  12   H   :   -0.011211526    0.010623908   -0.006683805
  13   O   :   -0.012028827    0.026352681    0.015707258
  14   H   :   -0.001431895   -0.009941804    0.003394211
  15   O   :    0.010369775   -0.018477220    0.019837876
  16   H   :    0.005460073    0.024079214   -0.010527024
  17   O   :   -0.005905585    0.000643250    0.002282555
  18   H   :   -0.008503365   -0.005619205    0.010372695
  19   H   :    0.012869699    0.003886997   -0.012864638
  20   O   :   -0.000650228   -0.012930349   -0.006316053
  21   H   :   -0.001532718   -0.000745525    0.007234191
  22   H   :    0.003370777    0.012836214   -0.010088736
  23   O   :   -0.031325449   -0.002502375   -0.014532371
  24   H   :    0.004643022    0.001414228    0.017791755
  25   H   :    0.028245108   -0.005144042   -0.000633030
  26   O   :    0.013420850    0.038645139    0.010554238
  27   H   :    0.002960289   -0.019550581   -0.003221746
  28   H   :   -0.024594699   -0.016299273   -0.006204806
  29   O   :    0.020110420   -0.010451783    0.014553341
  30   H   :   -0.005150748    0.014286201   -0.008305588
  31   H   :   -0.010899431   -0.002364582   -0.009841577
  32   O   :    0.013863804    0.026585144    0.032163547
  33   H   :   -0.010756707   -0.015289148   -0.020795000
  34   H   :   -0.008182463   -0.012717013    0.000284859
  35   O   :   -0.013613298   -0.000824597   -0.013472529
  36   H   :    0.008752569   -0.014064085   -0.001646714
  37   H   :    0.006942950    0.010750651    0.012002414
  38   O   :    0.015177340    0.008171088    0.018643485
  39   H   :   -0.004773241    0.005175025   -0.021277223
  40   H   :    0.001920213   -0.015144481   -0.002150943
  41   O   :   -0.000185143   -0.003060330   -0.027623871
  42   H   :    0.003993737   -0.004334964    0.012645631
  43   H   :   -0.007735689    0.005567165    0.015047180
  44   O   :    0.096940218    0.002286764   -0.032139335
  45   H   :   -0.006536592    0.016940618    0.013304610
  46   H   :   -0.076862584   -0.035219522    0.017258335
  47   O   :    0.006125443   -0.006068991   -0.013895399
  48   H   :    0.004032473    0.008947322    0.000088794
  49   H   :   -0.018180534   -0.006530884   -0.001593684
  50   O   :    0.002338843    0.005088238    0.011485447
  51   H   :    0.004955155   -0.004660316   -0.015820433
  52   H   :   -0.014437343   -0.009123700    0.003801937
  53   O   :    0.002641108   -0.000211704    0.021812112
  54   H   :   -0.001062458    0.015087483   -0.033688080
  55   H   :    0.004362620   -0.007923787    0.010469940
  56   O   :   -0.008804642   -0.046637246    0.008014153
  57   H   :    0.013331068    0.034436729   -0.025045795
  58   H   :   -0.001071955   -0.002779026    0.005972192
  59   O   :    0.002563416    0.015017315   -0.005436935
  60   H   :    0.009469167   -0.005625069    0.001772086
  61   H   :   -0.001872653   -0.002771642    0.003636699
  62   O   :   -0.031629607    0.026459933    0.004847315
  63   H   :    0.029281500   -0.031585108   -0.003022403
  64   H   :    0.004937192    0.011271789    0.007053255
  65   O   :    0.027783741   -0.033710156    0.015331858
  66   H   :   -0.005831244    0.018744703    0.013558554
  67   H   :   -0.019711524    0.023104090   -0.015688221
  68   O   :   -0.055471576   -0.028769416   -0.014931633
  69   H   :    0.050303428    0.024786071    0.029412131
  70   H   :    0.005951518   -0.005620516   -0.005018454
  71   O   :    0.000116244   -0.021936995   -0.011022806
  72   H   :    0.000161857    0.008884738    0.006181740
  73   H   :    0.008590943    0.009655065    0.011995839
  74   O   :   -0.024334870    0.002088233   -0.019233942
  75   H   :    0.010516283    0.001181323    0.006320646
  76   H   :    0.003684843   -0.004436591    0.012294250
  77   O   :    0.004020629   -0.031990732    0.014529492
  78   H   :   -0.003955499    0.015729997   -0.013633299
  79   H   :   -0.001226956    0.004556219   -0.003274556
  80   O   :   -0.008421300   -0.007337849   -0.007457819
  81   H   :    0.003382851    0.018686479   -0.008051942
  82   H   :   -0.012214811    0.008742553    0.002513948
  83   O   :   -0.012731588    0.003560881   -0.007145343
  84   H   :    0.014183459    0.000855429   -0.009948255
  85   H   :    0.004809691    0.005049785    0.019282735
  86   O   :   -0.004264189    0.030509784    0.036178814
  87   H   :   -0.004084063   -0.010206109   -0.025010879
  88   H   :    0.012140711   -0.014129003   -0.008738509
  89   O   :   -0.000924160   -0.008629562    0.011747912
  90   H   :   -0.001289398   -0.000371797   -0.010006630
  91   H   :    0.007290156    0.021503745    0.001853205
  92   O   :    0.021925636   -0.000629687   -0.008986691
  93   H   :    0.004043947    0.001288657   -0.002969427
  94   H   :   -0.023423487   -0.005915653    0.006895046
  95   O   :   -0.006428253    0.004537975   -0.006180363
  96   H   :   -0.000208531   -0.000133683    0.002701288
  97   H   :    0.006674877   -0.009850850   -0.001874048
  98   O   :   -0.003798991    0.008694670    0.012996582
  99   H   :    0.014303299    0.001939707   -0.000336669
 100   H   :   -0.008209217   -0.007179696   -0.001598261
 101   O   :   -0.014002444    0.019485237    0.023994056
 102   H   :    0.006185098    0.002168061   -0.001262776
 103   H   :    0.003027062   -0.012233375   -0.033197860
 104   Q   :    0.145091545   -0.165971718   -0.145366111
 105   Q   :    0.083762899    0.213015885    0.114407391
 106   Q   :   -0.209070832   -0.061354926    0.037039914
 107   Q   :    0.109510919    0.140111932    0.206594359
 108   Q   :    0.122760689   -0.206561081   -0.149891157
 109   Q   :   -0.230487015    0.071045296   -0.059892844
 110   Q   :   -0.201564818    0.050707952    0.190261824
 111   Q   :    0.026254556    0.110371994   -0.258025249
 112   Q   :    0.183447340   -0.151608807    0.068168662
 113   Q   :    0.121209686   -0.021503015    0.235205770
 114   Q   :    0.127172843   -0.080423534   -0.255905816
 115   Q   :   -0.241682299    0.101218236    0.031203634
 116   Q   :   -0.039624411   -0.042785286    0.260658370
 117   Q   :   -0.154063975    0.139524017   -0.153057535
 118   Q   :    0.196394046   -0.097271954   -0.107244603
 119   Q   :   -0.090622186    0.198425895    0.158658880
 120   Q   :    0.078741606   -0.235482810    0.050451571
 121   Q   :    0.003374241    0.036357355   -0.213022994
 122   Q   :    0.096114902    0.143344159   -0.226787707
 123   Q   :   -0.264073205    0.032366868    0.128179403
 124   Q   :    0.160697960   -0.180901304    0.095767592
 125   Q   :   -0.260612207   -0.026709400    0.139063285
 126   Q   :    0.249539543   -0.069615763    0.097407140
 127   Q   :    0.009393765    0.103200913   -0.237803272
 128   Q   :   -0.247813077   -0.119919877    0.026736619
 129   Q   :    0.105461476    0.200699031    0.149613636
 130   Q   :    0.148871299   -0.085825308   -0.166812644
 131   Q   :    0.072747580    0.267409051   -0.067028738
 132   Q   :   -0.031788386   -0.127346094    0.246884983
 133   Q   :   -0.044669979   -0.140745418   -0.164218167
 134   Q   :   -0.023911447   -0.020871578   -0.294380304
 135   Q   :   -0.217669328    0.030614138    0.144020239
 136   Q   :    0.245534579   -0.004762430    0.137970619
 137   Q   :   -0.147634800    0.251675054   -0.081141760
 138   Q   :    0.281832625    0.028284491    0.036066711
 139   Q   :   -0.143859283   -0.279580362    0.051749348
 140   Q   :    0.199344977    0.166497556   -0.008083769
 141   Q   :   -0.020154643   -0.246329811   -0.076347404
 142   Q   :   -0.173978014    0.081394730    0.086576339
 143   Q   :    0.025618481    0.099046599   -0.239024505
 144   Q   :   -0.242290179   -0.051812228    0.147029259
 145   Q   :    0.214127149   -0.053831845    0.089595983
 146   Q   :   -0.234603818   -0.028898018   -0.161827026
 147   Q   :    0.106580381   -0.139095463    0.164640552
 148   Q   :    0.117389684    0.171653913   -0.013252641
 149   Q   :   -0.102790380   -0.115370315    0.223804123
 150   Q   :   -0.022530389   -0.083149461   -0.282076482
 151   Q   :    0.122873742    0.201944285    0.053377782
 152   Q   :    0.249927408   -0.024355843   -0.169642278
 153   Q   :   -0.223577387    0.146261331   -0.076160829
 154   Q   :   -0.018676295   -0.121435446    0.236662006
 155   Q   :   -0.070618016   -0.233839263    0.025907554
 156   Q   :    0.188818609    0.125095253    0.153921938
 157   Q   :   -0.119250499    0.112725547   -0.168012026
 158   Q   :    0.218368648    0.070910324   -0.134686996
 159   Q   :   -0.221329349   -0.087473549   -0.110446041
 160   Q   :    0.013856747    0.016254475    0.232239850
 161   Q   :    0.014182556   -0.140230732    0.275027011
 162   Q   :    0.062772699    0.247102751   -0.037624287
 163   Q   :   -0.073979536   -0.106906682   -0.232041004
 164   Q   :    0.193074424   -0.127233208   -0.085305828
 165   Q   :   -0.076859302    0.058659179    0.255579691
 166   Q   :   -0.128963079    0.065745630   -0.182787711
 167   Q   :   -0.047495529    0.199571843   -0.170088498
 168   Q   :   -0.104260072   -0.250391313   -0.010289333
 169   Q   :    0.150363265    0.046268041    0.181587203
 170   Q   :   -0.091463964    0.159320419   -0.245194970
 171   Q   :    0.107676447   -0.250805012   -0.027266234
 172   Q   :   -0.015023127    0.085556992    0.268148595
 173   Q   :   -0.099738496    0.321412415    0.046576558
 174   Q   :    0.041897780   -0.105431701   -0.253818618
 175   Q   :    0.051587333   -0.211036816    0.209631035
 176   Q   :   -0.280423144    0.053807901   -0.022273660
 177   Q   :    0.075345573   -0.270388100   -0.125177344
 178   Q   :    0.204672836    0.228025600    0.137335125
 179   Q   :    0.071861689    0.226546704    0.169543179
 180   Q   :   -0.200775730   -0.035066376   -0.150336100
 181   Q   :    0.132370048   -0.189878608   -0.022939151
 182   Q   :    0.057971890   -0.235476251   -0.002237209
 183   Q   :    0.079623808    0.206509285   -0.157355101
 184   Q   :   -0.131283332    0.043498730    0.177408029
 185   Q   :   -0.238100192   -0.072465660   -0.136073860
 186   Q   :    0.229452107    0.102091874   -0.163924504
 187   Q   :    0.013235486   -0.028883689    0.290052048
 188   Q   :   -0.114031586   -0.235436525   -0.152770840
 189   Q   :    0.127177464    0.194594216   -0.104087602
 190   Q   :   -0.022026856    0.028922595    0.259955416
 191   Q   :    0.247089179   -0.040670756   -0.150193869
 192   Q   :   -0.027778475   -0.118070580    0.248952769
 193   Q   :   -0.219392024    0.159749198   -0.101520649
 194   Q   :   -0.216452025    0.048547270   -0.214003438
 195   Q   :    0.064913855    0.181019237    0.262645873
 196   Q   :    0.152230710   -0.229773485   -0.047644364
 197   Q   :    0.105545719   -0.184640386    0.151849218
 198   Q   :   -0.237576033    0.138357415    0.017410748
 199   Q   :    0.134518993    0.039398511   -0.167008074
 200   Q   :   -0.017827920   -0.259621582    0.057639361
 201   Q   :   -0.178542319    0.205190041    0.077639430
 202   Q   :    0.199245197    0.053861074   -0.134616796
 203   Q   :    0.016158143    0.236682999   -0.130916679
 204   Q   :   -0.199209152   -0.090958980    0.163888256
 205   Q   :    0.179460149   -0.133097177   -0.033479629
 206   Q   :   -0.155021928   -0.235488930    0.025288847
 207   Q   :    0.077016402    0.193065277    0.206695253
 208   Q   :    0.084910021    0.048684011   -0.229418426
 209   Q   :   -0.208657495   -0.099678724   -0.085834063
 210   Q   :    0.044700590    0.266053798    0.102795279
 211   Q   :    0.162425141   -0.153187553   -0.007718989
 212   Q   :    0.070403266   -0.004267326   -0.291081581
 213   Q   :   -0.239679294   -0.062363199    0.102528967
 214   Q   :    0.167242595    0.068310898    0.184191923
 215   Q   :    0.213354715    0.080012308   -0.159217551
 216   Q   :   -0.047285920   -0.263345436   -0.018236603
 217   Q   :   -0.158713424    0.191546090    0.176800362
 218   Q   :   -0.122577864    0.105962324   -0.240405298
 219   Q   :   -0.168984528   -0.040145234    0.224979229
 220   Q   :    0.298935894   -0.062260080    0.011572062
 221   Q   :    0.178274147   -0.175633383    0.121518600
 222   Q   :   -0.061866236    0.252189551    0.072405353
 223   Q   :   -0.114835875   -0.079459905   -0.192565001
 224   Q   :    0.005266902    0.062774366   -0.265320152
 225   Q   :    0.033230773    0.164715793    0.213526223
 226   Q   :   -0.040340219   -0.225926497    0.048134676
 227   Q   :    0.134598569   -0.147460498   -0.228758977
 228   Q   :    0.134159493    0.132950079    0.195011442
 229   Q   :   -0.261645338    0.019247207    0.028979731
 230   Q   :   -0.215234586    0.074633073    0.176070456
 231   Q   :    0.230817786   -0.189756174    0.128105443
 232   Q   :   -0.019777921    0.105050440   -0.294402107
 233   Q   :   -0.170595544    0.078866517    0.223860715
 234   Q   :    0.054335279   -0.275434753   -0.085979403
 235   Q   :    0.123630204    0.193240891   -0.144226375
 236   Q   :    0.114751632    0.060233717   -0.247818312
 237   Q   :    0.127440941   -0.116240773    0.198096884
 238   Q   :   -0.232366717    0.062690979    0.039612484
 239   Q   :    0.007804631   -0.250865790   -0.120521362
 240   Q   :   -0.043963693    0.041780108    0.263358300
 241   Q   :    0.022511964    0.194298325   -0.143064109
 242   Q   :   -0.071829086   -0.050626150   -0.239821662
 243   Q   :   -0.103049217   -0.089717188    0.210566558
 244   Q   :    0.181302679    0.141867340    0.020027719
 245   Q   :    0.071416450    0.056385281    0.283455401
 246   Q   :    0.067874524   -0.212695915   -0.148905903
 247   Q   :   -0.131756466    0.153752086   -0.130754822
 248   Q   :    0.024209121    0.026778813   -0.255595269
 249   Q   :   -0.093915559    0.244623024    0.159815675
 250   Q   :    0.055729677   -0.265334750    0.102817503
 251   Q   :    0.077786573    0.203153951   -0.190016982
 252   Q   :   -0.138484759    0.040945371    0.240632122
 253   Q   :    0.055999089   -0.238709991   -0.051969371
 254   Q   :   -0.217096044   -0.140036899   -0.131907212
 255   Q   :   -0.022713561    0.273575248    0.058162005
 256   Q   :    0.235803593   -0.119197318    0.082569179
 257   Q   :    0.182613850   -0.124542403    0.159312634
 258   Q   :   -0.242950341   -0.088526428   -0.067717868
 259   Q   :    0.063369437    0.211163129   -0.088924041
 260   Q   :   -0.122822542   -0.016498350   -0.251231029
 261   Q   :   -0.085801408    0.200802233    0.179149687
 262   Q   :    0.204914179   -0.182521542    0.079421956
 263   Q   :   -0.106437087   -0.094240411   -0.256340199
 264   Q   :    0.234030768   -0.116915684    0.089010144
 265   Q   :   -0.112981228    0.200012687    0.166538075
 266   Q   :    0.270906564    0.097717977   -0.007129588
 267   Q   :   -0.157135374    0.033373608    0.210720679
 268   Q   :   -0.109038973   -0.127250382   -0.207279870
 269   Q   :    0.134003096    0.007268288   -0.256512048
 270   Q   :    0.072570042    0.068844560    0.211554380
 271   Q   :   -0.202847266   -0.071537171    0.030656639
 272   Q   :    0.117502498   -0.262800451    0.114951184
 273   Q   :   -0.235314213    0.144954636    0.129613772
 274   Q   :    0.116263810    0.117189146   -0.244679961
 275   Q   :   -0.273265184   -0.034213449    0.028422722
 276   Q   :    0.111816306    0.044565976   -0.247006812
 277   Q   :    0.157965163   -0.016464247    0.225788870
 278   Q   :   -0.216603670   -0.004746261   -0.192113681
 279   Q   :   -0.018060587   -0.141028224    0.282421923
 280   Q   :    0.235992747    0.151141346   -0.086479147
 281   Q   :   -0.223873537   -0.130424339    0.134504573
 282   Q   :    0.207354124   -0.095811332    0.016871662
 283   Q   :   -0.008032865    0.224945308   -0.164761173
 284   Q   :   -0.220932148   -0.155164068    0.086519086
 285   Q   :    0.097364918   -0.003083640   -0.280128843
 286   Q   :    0.113250484    0.159318106    0.191881014
 287   Q   :   -0.105838202   -0.166148957   -0.216042332
 288   Q   :   -0.046665834    0.269477815    0.047076717
 289   Q   :    0.145553038   -0.102955759    0.170150434
 290   Q   :    0.161665582    0.244327200    0.017244161
 291   Q   :    0.032221265   -0.213824758    0.240781224
 292   Q   :   -0.185071653   -0.029554111   -0.258316295
 293   Q   :   -0.231850139    0.127032083   -0.180505256
 294   Q   :   -0.049113675   -0.083895464    0.265599848
 295   Q   :    0.289337288   -0.046761741   -0.094188287
 296   Q   :    0.217864699   -0.198705166    0.018531095
 297   Q   :    0.035180657    0.263255303   -0.120441179
 298   Q   :   -0.246801022   -0.049440447    0.093669425
 299   Q   :   -0.049958529   -0.233493229    0.128746320
 300   Q   :    0.045524818    0.014094821   -0.278004369
 301   Q   :   -0.007898180    0.219549833    0.146098479
 302   Q   :    0.037140331   -0.072876796    0.279070664
 303   Q   :   -0.271365333    0.099524701   -0.119619730
 304   Q   :    0.221885637   -0.032190612   -0.146960093
 305   Q   :   -0.292656965    0.072981794   -0.028084704
 306   Q   :    0.188179069    0.168133380    0.129125035
 307   Q   :    0.107475996   -0.233433063   -0.092857819
 308   Q   :   -0.052716785    0.280148157   -0.057748792
 309   Q   :   -0.037171410   -0.195383784   -0.165742969
 310   Q   :    0.094760524   -0.076387509    0.223040299
 311   Q   :   -0.222934291   -0.107037592    0.114697666
 312   Q   :    0.244277277   -0.103153395   -0.025784699
 313   Q   :   -0.019291636    0.205981969   -0.083519819
 314   Q   :   -0.153380366    0.093625919   -0.164785242
 315   Q   :    0.205820095   -0.176763395   -0.044515713
 316   Q   :   -0.043790518    0.077777620    0.207430160
 317   Q   :   -0.297843449   -0.054583458   -0.026716414
 318   Q   :    0.098283179    0.229723862    0.160811975
 319   Q   :    0.199600671   -0.176789801   -0.131545525
 320   Q   :    0.247220350    0.119790494    0.042517407
 321   Q   :   -0.089302125   -0.126901307   -0.229928262
 322   Q   :   -0.150173462    0.000012942    0.187816851
 323   Q   :   -0.174362253    0.004151717   -0.184596026
 324   Q   :    0.077463355   -0.152084794    0.184847274
 325   Q   :    0.087517334    0.156517077    0.000019168
 326   Q   :   -0.221025739   -0.097557602    0.108739932
 327   Q   :    0.279901751   -0.078710063    0.052588734
 328   Q   :   -0.048300038    0.179595386   -0.164914418
 329   Q   :    0.068839871    0.090783765   -0.257198048
 330   Q   :    0.064853356    0.125236041    0.234000452
 331   Q   :   -0.125538106   -0.218340129    0.018374408
 332   Q   :    0.148665073   -0.069636421    0.204989222
 333   Q   :    0.076706620    0.167612305   -0.232547458
 334   Q   :   -0.231930589   -0.089106561    0.028896566
 335   Q   :   -0.040056323   -0.078197585    0.271168169
 336   Q   :    0.079289436    0.241261118   -0.083500286
 337   Q   :   -0.048907981   -0.163936999   -0.189361782
 338   Q   :    0.269098922    0.001601254    0.144104855
 339   Q   :   -0.051355401   -0.084980016   -0.226935502
 340   Q   :   -0.220480456    0.087304818    0.091080340
 341   Q   :    0.252834593   -0.010732360    0.125794844
 342   Q   :   -0.025567161   -0.049338524   -0.261063989
 343   Q   :   -0.224512093    0.058649987    0.137392725
 344   Q   :    0.180619747   -0.028372705    0.205841907
 345   Q   :    0.023900731   -0.132421470   -0.272636630
 346   Q   :   -0.216197872    0.163277172    0.061933811
 347   Q   :   -0.133362894    0.226008740    0.157326391
 348   Q   :    0.153568857    0.067590995   -0.216650727
 349   Q   :   -0.023902783   -0.294764739    0.056498755
 350   Q   :   -0.178036131   -0.248165428   -0.072923248
 351   Q   :    0.123040087    0.174076429   -0.192195901
 352   Q   :    0.056877100    0.071656420    0.259181853
 353   Q   :    0.079288246   -0.142715584    0.221367941
 354   Q   :    0.024336538   -0.074743671   -0.235115174
 355   Q   :   -0.117302556    0.226697082    0.015893264
 356   Q   :    0.001664094   -0.226830707    0.139814946
 357   Q   :    0.178550033    0.146501656   -0.064906862
 358   Q   :   -0.184678785    0.070107254   -0.071245650
 359   Q   :   -0.249921995    0.130297041   -0.049537520
 360   Q   :    0.003611443   -0.318638662   -0.001337382
 361   Q   :    0.254398361    0.184095291    0.048404451
 362   Q   :    0.014733554    0.285456264   -0.027532845
 363   Q   :    0.055764580   -0.171846471   -0.236749091
 364   Q   :   -0.059702979   -0.102276048    0.267576899
 365   Q   :    0.146477628    0.138094421    0.185320052
 366   Q   :    0.041095717   -0.250724502   -0.111796710
 367   Q   :   -0.172188684    0.118348232   -0.064402776
 368   Q   :   -0.005050561   -0.240949631   -0.115103319
 369   Q   :   -0.085144402    0.270878288   -0.088306634
 370   Q   :    0.089710052   -0.025900943    0.204854790
 371   Q   :    0.266327221    0.017827366   -0.037563080
 372   Q   :   -0.161974027   -0.203452514   -0.038372247
 373   Q   :   -0.108996204    0.185664291    0.090398766
 374   Q   :   -0.171213592   -0.201084760   -0.096847909
 375   Q   :    0.072381796    0.060619517    0.262149383
 376   Q   :    0.103766634    0.141914946   -0.157177028
 377   Q   :   -0.174164669   -0.084287228    0.216586243
 378   Q   :    0.214358600    0.184628624    0.047863676
 379   Q   :   -0.043314004   -0.100396048   -0.264758600
 380   Q   :    0.125786670   -0.177413787   -0.191332056
 381   Q   :   -0.162816427    0.226852122   -0.050217503
 382   Q   :    0.025784829   -0.063454939    0.241252838
 383   Q   :    0.165398593   -0.019368069   -0.182697610
 384   Q   :   -0.183108739   -0.155040024    0.057024553
 385   Q   :    0.012398753    0.189300052    0.128568146
 386   Q   :    0.279534947    0.021743254   -0.094785541
 387   Q   :   -0.174692798    0.210322324    0.034798505
 388   Q   :   -0.097729388   -0.233496101    0.057171386
 389   Q   :   -0.214284196   -0.084574673   -0.134816986
 390   Q   :    0.156254630    0.217681123   -0.106120964
 391   Q   :    0.060982043   -0.133405267    0.233277561
 392   Q   :   -0.252515857   -0.034018467    0.149227995
 393   Q   :    0.082769268   -0.112256920   -0.220319780
 394   Q   :    0.167060531    0.145591110    0.068453919
 395   Q   :   -0.210584711    0.213665469   -0.030605200
 396   Q   :    0.074432973   -0.117369357    0.259894204
 397   Q   :    0.131638771   -0.089145330   -0.222911815
 398   Q   :   -0.216848790   -0.001695051   -0.150084972
 399   Q   :    0.006187025    0.151183482    0.252736255
 400   Q   :    0.202347817   -0.130771721   -0.099622914
 401   Q   :    0.152691056   -0.204989052   -0.174315075
 402   Q   :   -0.186839524   -0.108659905    0.220094622
 403   Q   :    0.037261442    0.307575416   -0.042677586
 404   Q   :    0.143404199    0.077878532    0.240086447
 405   Q   :   -0.160642077    0.182952116   -0.138490509
 406   Q   :    0.006733665   -0.274847264   -0.091006935
 407   Q   :    0.200329578   -0.071716888    0.213308229
 408   Q   :   -0.023197089   -0.157158194   -0.274948256
 409   Q   :   -0.179528053    0.227417829    0.060888046
 410   Q   :   -0.107727381   -0.044438038    0.263770827
 411   Q   :    0.005235478    0.229240940   -0.150898687
 412   Q   :    0.103551058   -0.181375033   -0.108281436
 413   Q   :   -0.150446904    0.074960264   -0.227030629
 414   Q   :    0.207380771    0.141310637    0.154823910
 415   Q   :   -0.060514691   -0.214984381    0.071761745
 416   Q   :   -0.213210558   -0.129892315    0.111440077
 417   Q   :    0.195596355   -0.140867347   -0.192335155
 418   Q   :    0.013842513    0.275292868    0.083656879
 419   Q   :   -0.185326555   -0.071701159   -0.172075835
 420   Q   :    0.255241556   -0.055731939   -0.008150783
 421   Q   :   -0.067736764    0.114807345    0.183270955
 422   Q   :    0.135530629    0.075688490   -0.188105371
 423   Q   :   -0.256220908   -0.110589037    0.027715232
 424   Q   :    0.116898605    0.041879717    0.162830123
 425   Q   :    0.049645797    0.193106278    0.217071028
 426   Q   :   -0.235999708    0.004227880   -0.153588854
 427   Q   :    0.179765187   -0.207026102   -0.053260802
 428   Q   :   -0.022852528   -0.294103090   -0.068247766
 429   Q   :    0.258174068    0.152950717    0.053395476
 430   Q   :   -0.225159324    0.136253698    0.005599281
 431   Q   :    0.037828409   -0.209137734   -0.153532066
 432   Q   :   -0.134686768   -0.000601276    0.258442054
 433   Q   :    0.094500714    0.191354689   -0.104595812
 434   Q   :    0.210203415   -0.158587252    0.114681017
 435   Q   :   -0.120870744   -0.045793942   -0.278190130
 436   Q   :   -0.099101331    0.204258078    0.162826907
 437   Q   :    0.253833208    0.088050314   -0.095127208
 438   Q   :   -0.208598603    0.075215892   -0.083749318
 439   Q   :   -0.033280233   -0.164921116    0.185275182
 440   Q   :    0.258679790    0.022461132    0.021004232
 441   Q   :   -0.201287327    0.196387980   -0.002164378
 442   Q   :   -0.063933376   -0.204429538   -0.024474564
 443   Q   :    0.132601212   -0.191255220   -0.080374142
 444   Q   :   -0.089245902    0.089947221    0.262583571
 445   Q   :   -0.044403857    0.102909041   -0.173009832
 446   Q   :    0.146602462    0.071925092   -0.235697723
 447   Q   :    0.043242000   -0.025975168    0.234668054
 448   Q   :   -0.199542458   -0.037614792   -0.007584540
 449   Q   :   -0.062256104    0.181461576    0.210048065
 450   Q   :    0.034768424    0.055075874   -0.279375678
 451   Q   :    0.027365614   -0.233534425    0.064393778
 452   Q   :   -0.262319654   -0.068528610   -0.032994024
 453   Q   :    0.139899903    0.130623216   -0.213990785
 454   Q   :    0.130669023   -0.056291540    0.240733039
 455   Q   :    0.061250076    0.229944763    0.142006274
 456   Q   :    0.127878565   -0.280298122    0.078946858
 457   Q   :   -0.184877591    0.031645347   -0.211354508
 458   Q   :   -0.124173335   -0.037438390    0.246623508
 459   Q   :    0.029544926   -0.161942093   -0.179623117
 460   Q   :    0.094022261    0.203049475   -0.059813342
 461   Q   :   -0.107540128    0.172912119   -0.209734451
 462   Q   :   -0.015446615    0.067933697    0.269836976
 463   Q   :    0.126191624   -0.248805118   -0.062181399
 464   Q   :    0.204726301   -0.161161869    0.124197922
 465   Q   :   -0.024223837    0.013410228   -0.298550682
 466   Q   :   -0.177149995    0.134109811    0.176373270
 467   Q   :    0.229523467   -0.144329354    0.125246404
 468   Q   :   -0.172247871    0.162240593    0.120877952
 469   Q   :   -0.048517503   -0.025120043   -0.242505741
 470   Q   :   -0.127097640   -0.049745550   -0.205921369
 471   Q   :    0.240865295    0.083338014    0.065772977
 472   Q   :   -0.117608426   -0.026448433    0.140840555
 473   Q   :    0.176503278   -0.198258302    0.089982105
 474   Q   :    0.012270271    0.119606220   -0.251597758
 475   Q   :   -0.201343968    0.078583969    0.166928748
 476   Q   :    0.063420414    0.075912859   -0.264514885
 477   Q   :   -0.178998072   -0.191299735    0.108137873
 478   Q   :    0.106824614    0.108928760    0.156118845
 479   Q   :    0.107902068   -0.251583201    0.011624925
 480   Q   :   -0.230296743    0.070774479    0.117804723
 481   Q   :    0.131178688    0.187410092   -0.134227480
 482   Q   :   -0.173850329   -0.210819969   -0.003467998
 483   Q   :    0.115161252    0.118050548   -0.252110128
 484   Q   :    0.060243114    0.108162783    0.246276235
 485   Q   :   -0.223633761   -0.146613675    0.084519351
 486   Q   :    0.207723777   -0.085391727   -0.130447373
 487   Q   :    0.005633443    0.232682438    0.037661810
 488   Q   :    0.116160462    0.006412923    0.281473536
 489   Q   :   -0.097481667   -0.255800395   -0.140984480
 490   Q   :   -0.027717092    0.243338168   -0.143493107
 491   Q   :    0.131748663   -0.228802419    0.131566300
 492   Q   :    0.162752383    0.224810194   -0.122845553
 493   Q   :   -0.302614999    0.010871115   -0.017548064
 494   Q   :   -0.216354290   -0.149266888    0.042810541
 495   Q   :    0.225362652   -0.007369906    0.106560344
 496   Q   :   -0.012004728    0.162132032   -0.154806567
 497   Q   :    0.190212107    0.229633892   -0.126583030
 498   Q   :    0.124685805   -0.197519150    0.181627983
 499   Q   :   -0.310430219   -0.020955827   -0.053376360
 500   Q   :    0.052937749   -0.220300179    0.208595219
 501   Q   :   -0.229984022    0.071070168   -0.060808852
 502   Q   :    0.183121099    0.139021042   -0.149396838
 503   Q   :   -0.251207449    0.119162985    0.059407934
 504   Q   :    0.193065938   -0.104902238    0.170631695
 505   Q   :    0.053344369   -0.016817338   -0.230087663
 506   Q   :   -0.113060210    0.009019390   -0.271823078
 507   Q   :   -0.008598690    0.225149999    0.174349980
 508   Q   :    0.124770579   -0.232950498    0.081031163
 509   Q   :   -0.016255803   -0.193761234    0.248607729
 510   Q   :   -0.144994344   -0.025181386   -0.220743036
 511   Q   :    0.166321090    0.208383416   -0.025118102
 512   Q   :   -0.085136265   -0.223472124   -0.119603814
 513   Q   :    0.257648399    0.074011133    0.082502160
 514   Q   :   -0.161368109    0.150513345    0.043583436
 515   Q   :    0.208388548   -0.126350728    0.088960321
 516   Q   :   -0.080408204    0.032553077   -0.260981123
 517   Q   :   -0.138575002    0.086718894    0.176421415
 518   Q   :    0.252175645    0.121146610   -0.106225009
 519   Q   :   -0.000463239   -0.193362554    0.237305055
 520   Q   :   -0.258243928    0.061389161   -0.125861573
 521   Q   :   -0.027142149   -0.135931869    0.189956035
 522   Q   :    0.158444102    0.133529394   -0.076415382
 523   Q   :   -0.134324606    0.011311787   -0.115500790
 524   Q   :    0.058655903    0.126586323    0.221466057
 525   Q   :    0.156631139   -0.034671049   -0.241920876
 526   Q   :   -0.216041066   -0.091921666    0.004649041
 527   Q   :   -0.213848146    0.088579281    0.185562975
 528   Q   :   -0.060893353   -0.083485751   -0.298909333
 529   Q   :    0.275860857   -0.001641207    0.117217005
 530   Q   :   -0.029758618   -0.267557281    0.093970174
 531   Q   :    0.149186149    0.057370503   -0.206054412
 532   Q   :   -0.128195343    0.201864344    0.106857668
 533   Q   :   -0.037023143    0.115042370    0.274049157
 534   Q   :   -0.246871144   -0.061525954   -0.158910905
 535   Q   :    0.282075389   -0.048814620   -0.123668628
 536   Q   :   -0.074439220    0.103126333   -0.218685813
 537   Q   :   -0.107149334   -0.028526548    0.245763680
 538   Q   :    0.183483445   -0.075752388   -0.025107979
 539   Q   :    0.185079690   -0.173698462   -0.156831891
 540   Q   :    0.123126011    0.229846842    0.140735822
 541   Q   :   -0.308390515   -0.065254338    0.009379653
 542   Q   :    0.224280655   -0.115450320   -0.145456771
 543   Q   :   -0.016332137    0.053414770    0.302423910
 544   Q   :   -0.214034917    0.058964661   -0.155753033
 545   Q   :   -0.095078726    0.212468061    0.068798405
 546   Q   :    0.297266001   -0.043979315   -0.042131334
 547   Q   :   -0.186142387   -0.172739330   -0.033309525
 548   Q   :   -0.235724580    0.098296930   -0.095917035
 549   Q   :    0.078691822   -0.047842088    0.268236167
 550   Q   :    0.167734646   -0.052420003   -0.165766467
 551   Q   :   -0.242268129   -0.065209485    0.199462652
 552   Q   :    0.271605277   -0.045280892    0.056427238
 553   Q   :   -0.031087756    0.109491936   -0.256752964
 554   Q   :    0.155979690    0.215678407    0.099262077
 555   Q   :    0.060748890   -0.295951955    0.075978275
 556   Q   :   -0.219952960    0.072847242   -0.182241787
 557   Q   :   -0.147330522   -0.258946272    0.102395542
 558   Q   :   -0.123325345    0.221903280   -0.099624166
 559   Q   :    0.271270543    0.036959034    0.003231273
 560   Q   :    0.071087633   -0.059841237   -0.259508143
 561   Q   :    0.058999472   -0.179309157    0.204914942
 562   Q   :   -0.142376627    0.242565645    0.057057689
 563   Q   :   -0.262500284   -0.025447322   -0.180283022
 564   Q   :    0.088676587    0.263828362    0.094731006
 565   Q   :    0.170188202   -0.244286574    0.085570238
 566   Q   :    0.084519339    0.229037734   -0.078406551
 567   Q   :    0.110993322   -0.225530042    0.054642691
 568   Q   :   -0.195133479   -0.001651374    0.021370622
 569   Q   :   -0.088632688   -0.241822577   -0.060151780
 570   Q   :   -0.042658957    0.157503265    0.228047566
 571   Q   :    0.139856127    0.087804706   -0.165627429
 572   Q   :    0.264275227    0.010299701   -0.130946160
 573   Q   :   -0.234362695   -0.095482695   -0.162472601
 574   Q   :   -0.014878330    0.093114160    0.295028417
 575   Q   :    0.173938505   -0.219464333    0.006496240
 576   Q   :    0.046103128    0.299558133   -0.013368616
 577   Q   :   -0.214006266   -0.081360619   -0.000327515
 578   Q   :   -0.083231621   -0.052273966    0.239613891
 579   Q   :    0.064634691   -0.139360314   -0.199723133
 580   Q   :    0.029417345    0.191576899   -0.038601511
 581   Q   :    0.128038602   -0.305223300    0.021367279
 582   Q   :    0.123928161    0.207634447   -0.160711029
 583   Q   :   -0.252713131    0.086847121    0.130960120
 584   Q   :    0.006852830   -0.067371651   -0.292185420
 585   Q   :   -0.187743931   -0.083070170    0.165267208
 586   Q   :    0.190439457    0.149338605    0.113527349
 587   Q   :    0.044891141    0.214702178    0.153810438
 588   Q   :   -0.138396485   -0.239114169    0.063430696
 589   Q   :    0.088082688    0.012854506   -0.201576467
 590   Q   :   -0.010286438   -0.108860797    0.278827677
 591   Q   :   -0.229803227    0.026134536   -0.145342943
 592   Q   :    0.233249164    0.077319023   -0.118396483
 593   Q   :   -0.104502236    0.248652867   -0.110524072
 594   Q   :    0.237193412    0.027415549    0.191064057
 595   Q   :   -0.136115487   -0.280363090   -0.074208840
 596   Q   :    0.229603644    0.048802815   -0.086916723
 597   Q   :   -0.080850787   -0.032591331    0.239163236
 598   Q   :   -0.142204040   -0.022788772   -0.137047624
 599   Q   :    0.010954550    0.129874632   -0.234950839
 600   Q   :    0.083473115   -0.255582403    0.061324694
 601   Q   :   -0.102004875    0.130482601    0.179432596
 602   Q   :    0.223426182   -0.166571681   -0.042161539
 603   Q   :   -0.169512347    0.116418304   -0.190618377
 604   Q   :   -0.061913050    0.052149495    0.225651760
 605   Q   :   -0.100764256    0.237897757   -0.085061776
 606   Q   :   -0.097959725   -0.117542395    0.247742861
 607   Q   :    0.208340102   -0.127313894   -0.156436248
 608   Q   :    0.029033902   -0.309922334    0.040650655
 609   Q   :    0.194076070    0.140460535   -0.142553935
 610   Q   :   -0.226934108    0.171290048    0.103096589
 611   Q   :    0.194117292    0.067790008    0.164766400
 612   Q   :   -0.012085265   -0.188443583   -0.208832028
 613   Q   :   -0.182025901    0.117048182    0.043576676
 614   Q   :    0.328047814    0.108960784    0.034993074
 615   Q   :   -0.068871000   -0.283684099    0.123399776
 616   Q   :   -0.253634340    0.178627152   -0.162573175

Difference to translation invariance:
           :   -0.0002921404   -0.0000803875   -0.0005930575

Difference to rotation invariance:
           :   -0.0135068593    0.0053145462    0.0016729906

Norm of the cartesian gradient     ...    6.2387884559
RMS gradient                       ...    0.1451273538
MAX gradient                       ...    0.3280478142

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

Total SCF gradient time            ...      190.441 sec

One electron gradient       ....      25.546 sec  ( 13.4%)
RI-J Coulomb gradient       ....      10.154 sec  (  5.3%)
COSX gradient               ....     117.265 sec  ( 61.6%)
XC gradient                 ....      15.815 sec  (  8.3%)

Maximum memory used throughout the entire SCFGRAD-calculation: 758.6 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                                         ... final053.orca.gbw
Electron density                                ... final053.orca.scfp
The origin for moment calculation is the CENTER OF MASS  = (18.432803, 21.527723 21.350187)

-------------
DIPOLE MOMENT
-------------
                                X             Y             Z
Electronic contribution:      0.07253       0.79438       1.89386
Nuclear contribution   :      2.39118     -14.28031      -1.78794
                        -----------------------------------------
Total Dipole Moment    :      2.46371     -13.48593       0.10592
                        -----------------------------------------
Magnitude (a.u.)       :     13.70954
Magnitude (Debye)      :     34.84688



--------------------
Rotational spectrum 
--------------------
 
Rotational constants in cm-1:     0.002194     0.001364     0.001320 
Rotational constants in MHz :    65.782097    40.886859    39.571369 

 Dipole components along the rotational axes: 
x,y,z [a.u.] :     1.322550     0.309696   -13.642081 
x,y,z [Debye]:     3.361655     0.787185   -34.675414 

 

Timings for individual modules:

Sum of individual times         ...      854.713 sec (=  14.245 min)
GTO integral calculation        ...       12.927 sec (=   0.215 min)   1.5 %
SCF iterations                  ...      646.505 sec (=  10.775 min)  75.6 %
SCF Gradient evaluation         ...      195.282 sec (=   3.255 min)  22.8 %
                             ****ORCA TERMINATED NORMALLY****
TOTAL RUN TIME: 0 days 0 hours 14 minutes 22 seconds 332 msec
