-------------------------------------------------------------
----------------------- !PROPERTIES! ------------------------
-------------------------------------------------------------
# -----------------------------------------------------------
$ PAL_Flags
   description: The PAL Flags
   geom. index: 1
   prop. index: 1
        Diskflag:     2
# -----------------------------------------------------------
$ SCF_Energy
   description: The SCF energy
   geom. index: 1
   prop. index: 1
        SCF Energy:    -1171.2261157124
# -----------------------------------------------------------
$ Mayer_Pop
   description: The Mayer population analysis
   geom. index: 1
   prop. index: 1
     Number of atoms                     : 90
     Threshold for printing              : 0.1000000
     Number of bond orders printed       : 90
  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   0     6.1797     6.0000    -0.1797     3.8928     3.8928     0.0000
  1   0     6.1823     6.0000    -0.1823     3.9038     3.9038    -0.0000
  2   0     6.1145     6.0000    -0.1145     3.8851     3.8851    -0.0000
  3   0     6.1654     6.0000    -0.1654     3.9133     3.9133    -0.0000
  4   0     6.1262     6.0000    -0.1262     3.8912     3.8912     0.0000
  5   0     0.9050     1.0000     0.0950     0.9755     0.9755    -0.0000
  6   0     0.9278     1.0000     0.0722     0.9784     0.9784     0.0000
  7   0     0.9136     1.0000     0.0864     0.9738     0.9738    -0.0000
  8   0     0.9207     1.0000     0.0793     0.9784     0.9784    -0.0000
  9   0     0.9239     1.0000     0.0761     0.9758     0.9758    -0.0000
 10   0     0.9294     1.0000     0.0706     0.9800     0.9800    -0.0000
 11   0     0.9253     1.0000     0.0747     0.9766     0.9766    -0.0000
 12   0     0.9312     1.0000     0.0688     0.9803     0.9803    -0.0000
 13   0     0.9367     1.0000     0.0633     0.9884     0.9884     0.0000
 14   0     0.9202     1.0000     0.0798     0.9811     0.9811     0.0000
 15   0     6.1880     6.0000    -0.1880     3.9191     3.9191    -0.0000
 16   0     6.0184     6.0000    -0.0184     3.8584     3.8584    -0.0000
 17   0     6.2542     6.0000    -0.2542     3.8949     3.8949     0.0000
 18   0     6.1924     6.0000    -0.1924     3.8997     3.8997    -0.0000
 19   0     6.1442     6.0000    -0.1442     3.9138     3.9138    -0.0000
 20   0     0.9418     1.0000     0.0582     0.9900     0.9900    -0.0000
 21   0     0.9246     1.0000     0.0754     0.9759     0.9759    -0.0000
 22   0     0.9549     1.0000     0.0451     1.0123     1.0123     0.0000
 23   0     0.9119     1.0000     0.0881     0.9892     0.9892     0.0000
 24   0     0.9036     1.0000     0.0964     0.9579     0.9579     0.0000
 25   0     0.9169     1.0000     0.0831     0.9708     0.9708     0.0000
 26   0     0.9133     1.0000     0.0867     0.9747     0.9747    -0.0000
 27   0     0.9118     1.0000     0.0882     0.9715     0.9715     0.0000
 28   0     0.9138     1.0000     0.0862     0.9761     0.9761     0.0000
 29   0     0.9134     1.0000     0.0866     0.9827     0.9827     0.0000
 30   0     6.1760     6.0000    -0.1760     3.8761     3.8761    -0.0000
 31   0     6.1652     6.0000    -0.1652     3.8857     3.8857    -0.0000
 32   0     6.1622     6.0000    -0.1622     3.9178     3.9178    -0.0000
 33   0     6.1109     6.0000    -0.1109     3.8855     3.8855    -0.0000
 34   0     6.1965     6.0000    -0.1965     3.8963     3.8963    -0.0000
 35   0     0.9192     1.0000     0.0808     0.9770     0.9770    -0.0000
 36   0     0.9161     1.0000     0.0839     0.9751     0.9751    -0.0000
 37   0     0.9199     1.0000     0.0801     0.9755     0.9755    -0.0000
 38   0     0.9160     1.0000     0.0840     0.9748     0.9748     0.0000
 39   0     0.9197     1.0000     0.0803     0.9807     0.9807    -0.0000
 40   0     0.9214     1.0000     0.0786     0.9759     0.9759    -0.0000
 41   0     0.9226     1.0000     0.0774     0.9766     0.9766    -0.0000
 42   0     0.9161     1.0000     0.0839     0.9826     0.9826    -0.0000
 43   0     0.9077     1.0000     0.0923     0.9753     0.9753    -0.0000
 44   0     0.9289     1.0000     0.0711     0.9787     0.9787    -0.0000
 45   0     6.1545     6.0000    -0.1545     3.8873     3.8873    -0.0000
 46   0     6.1602     6.0000    -0.1602     3.8932     3.8932    -0.0000
 47   0     6.1809     6.0000    -0.1809     3.9155     3.9155    -0.0000
 48   0     6.0935     6.0000    -0.0935     3.8572     3.8572    -0.0000
 49   0     6.2142     6.0000    -0.2142     3.8799     3.8799    -0.0000
 50   0     0.9189     1.0000     0.0811     0.9789     0.9789    -0.0000
 51   0     0.9166     1.0000     0.0834     0.9840     0.9840    -0.0000
 52   0     0.9131     1.0000     0.0869     0.9757     0.9757    -0.0000
 53   0     0.9176     1.0000     0.0824     0.9760     0.9760    -0.0000
 54   0     0.9135     1.0000     0.0865     0.9771     0.9771     0.0000
 55   0     0.9256     1.0000     0.0744     0.9756     0.9756    -0.0000
 56   0     0.9204     1.0000     0.0796     0.9777     0.9777     0.0000
 57   0     0.9238     1.0000     0.0762     0.9780     0.9780    -0.0000
 58   0     0.9193     1.0000     0.0807     0.9723     0.9723     0.0000
 59   0     0.9279     1.0000     0.0721     0.9764     0.9764    -0.0000
 60   0     6.1056     6.0000    -0.1056     3.8710     3.8710    -0.0000
 61   0     6.1788     6.0000    -0.1788     3.8922     3.8922    -0.0000
 62   0     6.2142     6.0000    -0.2142     3.9091     3.9091     0.0000
 63   0     6.1031     6.0000    -0.1031     3.8801     3.8801     0.0000
 64   0     6.1920     6.0000    -0.1920     3.8984     3.8984     0.0000
 65   0     0.9376     1.0000     0.0624     0.9970     0.9970    -0.0000
 66   0     0.9217     1.0000     0.0783     0.9763     0.9763    -0.0000
 67   0     0.9155     1.0000     0.0845     0.9737     0.9737    -0.0000
 68   0     0.9183     1.0000     0.0817     0.9782     0.9782    -0.0000
 69   0     0.8964     1.0000     0.1036     0.9738     0.9738     0.0000
 70   0     0.9180     1.0000     0.0820     0.9689     0.9689    -0.0000
 71   0     0.9153     1.0000     0.0847     0.9731     0.9731    -0.0000
 72   0     0.9329     1.0000     0.0671     0.9880     0.9880    -0.0000
 73   0     0.9227     1.0000     0.0773     0.9725     0.9725     0.0000
 74   0     0.9244     1.0000     0.0756     0.9729     0.9729     0.0000
 75   0     6.1633     6.0000    -0.1633     3.8993     3.8993     0.0000
 76   0     6.1646     6.0000    -0.1646     3.9053     3.9053     0.0000
 77   0     6.1619     6.0000    -0.1619     3.8670     3.8670     0.0000
 78   0     6.2065     6.0000    -0.2065     3.8862     3.8862    -0.0000
 79   0     6.1223     6.0000    -0.1223     3.9116     3.9116     0.0000
 80   0     0.9255     1.0000     0.0745     0.9761     0.9761     0.0000
 81   0     0.9195     1.0000     0.0805     0.9758     0.9758     0.0000
 82   0     0.9171     1.0000     0.0829     0.9758     0.9758     0.0000
 83   0     0.9233     1.0000     0.0767     0.9752     0.9752    -0.0000
 84   0     0.9089     1.0000     0.0911     0.9794     0.9794     0.0000
 85   0     0.9249     1.0000     0.0751     0.9797     0.9797     0.0000
 86   0     0.9143     1.0000     0.0857     0.9765     0.9765    -0.0000
 87   0     0.9202     1.0000     0.0798     0.9721     0.9721    -0.0000
 88   0     0.9074     1.0000     0.0926     0.9781     0.9781    -0.0000
 89   0     0.9205     1.0000     0.0795     0.9774     0.9774    -0.0000
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.971155
                0             6               4            6                0.966378
                0             6               5            1                0.985080
                0             6               6            1                0.996020
                1             6               2            6                0.967599
                1             6               7            1                0.986370
                1             6               8            1                0.997226
                2             6               3            6                0.972349
                2             6               9            1                0.981970
                2             6              10            1                1.005503
                3             6               4            6                0.973732
                3             6              11            1                0.990415
                3             6              12            1                0.998105
                4             6              13            1                0.991770
                4             6              14            1                0.993304
               15             6              16            6                0.950348
               15             6              19            6                0.978519
               15             6              20            1                0.987971
               15             6              21            1                1.004224
               16             6              17            6                0.962304
               16             6              22            1                1.004555
               16             6              23            1                0.994024
               17             6              18            6                0.969127
               17             6              24            1                0.986973
               17             6              25            1                0.996554
               18             6              19            6                0.975428
               18             6              26            1                0.999218
               18             6              27            1                0.990121
               19             6              28            1                0.996440
               19             6              29            1                0.995250
               30             6              31            6                0.963239
               30             6              34            6                0.970600
               30             6              35            1                0.995307
               30             6              36            1                0.984476
               31             6              32            6                0.973685
               31             6              37            1                0.997702
               31             6              38            1                0.990955
               32             6              33            6                0.981417
               32             6              39            1                0.994333
               32             6              40            1                0.988789
               33             6              34            6                0.961077
               33             6              41            1                0.986885
               33             6              42            1                0.991799
               34             6              43            1                0.984424
               34             6              44            1                1.002675
               45             6              46            6                0.978503
               45             6              49            6                0.964604
               45             6              50            1                0.987025
               45             6              51            1                0.993716
               46             6              47            6                0.970283
               46             6              52            1                0.988132
               46             6              53            1                0.995274
               47             6              48            6                0.977818
               47             6              54            1                0.989382
               47             6              55            1                0.997746
               48             6              49            6                0.950184
               48             6              56            1                0.988330
               48             6              57            1                0.996651
               49             6              58            1                0.992447
               49             6              59            1                0.998546
               60             6              61            6                0.958443
               60             6              64            6                0.949496
               60             6              65            1                0.999738
               60             6              66            1                0.998179
               61             6              62            6                0.970779
               61             6              67            1                0.991823
               61             6              68            1                0.990232
               62             6              63            6                0.974581
               62             6              69            1                0.984704
               62             6              70            1                0.997641
               63             6              64            6                0.967371
               63             6              71            1                0.982789
               63             6              72            1                0.995112
               64             6              73            1                0.998110
               64             6              74            1                0.996140
               75             6              76            6                0.968088
               75             6              79            6                0.984315
               75             6              80            1                0.994140
               75             6              81            1                0.988042
               76             6              77            6                0.968935
               76             6              82            1                0.987911
               76             6              83            1                1.007902
               77             6              78            6                0.957056
               77             6              84            1                0.983261
               77             6              85            1                1.001964
               78             6              79            6                0.966145
               78             6              86            1                0.990334
               78             6              87            1                0.999200
               79             6              88            1                0.983042
               79             6              89            1                0.996862
# -----------------------------------------------------------
$ Mayer_Pop
   description: The Mayer population analysis
   geom. index: 1
   prop. index: 2
     Number of atoms                     : 90
     Threshold for printing              : 0.1000000
     Number of bond orders printed       : 90
  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   0     6.1873     6.0000    -0.1873     4.0036     3.6759     0.3277
  1   0     6.1897     6.0000    -0.1897     4.0119     3.6891     0.3228
  2   0     6.1229     6.0000    -0.1229     3.9904     3.6791     0.3113
  3   0     6.1731     6.0000    -0.1731     4.0204     3.7088     0.3116
  4   0     6.1334     6.0000    -0.1334     3.9962     3.6808     0.3154
  5   0     0.9013     1.0000     0.0987     0.9845     0.9324     0.0521
  6   0     0.9239     1.0000     0.0761     0.9882     0.9331     0.0551
  7   0     0.9099     1.0000     0.0901     0.9831     0.9302     0.0529
  8   0     0.9170     1.0000     0.0830     0.9881     0.9355     0.0526
  9   0     0.9201     1.0000     0.0799     0.9854     0.9310     0.0544
 10   0     0.9254     1.0000     0.0746     0.9896     0.9403     0.0493
 11   0     0.9215     1.0000     0.0785     0.9864     0.9345     0.0519
 12   0     0.9270     1.0000     0.0730     0.9898     0.9384     0.0514
 13   0     0.9331     1.0000     0.0669     0.9991     0.9438     0.0553
 14   0     0.9163     1.0000     0.0837     0.9904     0.9406     0.0498
 15   0     6.1954     6.0000    -0.1954     4.0307     3.7025     0.3282
 16   0     6.0277     6.0000    -0.0277     3.9650     3.6438     0.3212
 17   0     6.2618     6.0000    -0.2618     4.0121     3.6774     0.3347
 18   0     6.2011     6.0000    -0.2011     4.0159     3.6811     0.3348
 19   0     6.1515     6.0000    -0.1515     4.0214     3.6988     0.3226
 20   0     0.9384     1.0000     0.0616     1.0015     0.9464     0.0551
 21   0     0.9204     1.0000     0.0796     0.9854     0.9349     0.0505
 22   0     0.9501     1.0000     0.0499     1.0219     0.9698     0.0521
 23   0     0.9082     1.0000     0.0918     0.9983     0.9484     0.0499
 24   0     0.8996     1.0000     0.1004     0.9673     0.9155     0.0518
 25   0     0.9129     1.0000     0.0871     0.9802     0.9268     0.0534
 26   0     0.9093     1.0000     0.0907     0.9839     0.9315     0.0524
 27   0     0.9079     1.0000     0.0921     0.9807     0.9264     0.0543
 28   0     0.9096     1.0000     0.0904     0.9851     0.9352     0.0499
 29   0     0.9099     1.0000     0.0901     0.9925     0.9418     0.0507
 30   0     6.1836     6.0000    -0.1836     3.9859     3.6642     0.3217
 31   0     6.1734     6.0000    -0.1734     3.9952     3.6743     0.3209
 32   0     6.1696     6.0000    -0.1696     4.0244     3.7090     0.3154
 33   0     6.1190     6.0000    -0.1190     3.9925     3.6760     0.3165
 34   0     6.2042     6.0000    -0.2042     4.0091     3.6839     0.3252
 35   0     0.9152     1.0000     0.0848     0.9863     0.9340     0.0523
 36   0     0.9122     1.0000     0.0878     0.9845     0.9318     0.0527
 37   0     0.9161     1.0000     0.0839     0.9851     0.9328     0.0523
 38   0     0.9121     1.0000     0.0879     0.9840     0.9313     0.0527
 39   0     0.9158     1.0000     0.0842     0.9901     0.9403     0.0498
 40   0     0.9175     1.0000     0.0825     0.9855     0.9332     0.0523
 41   0     0.9188     1.0000     0.0812     0.9863     0.9317     0.0546
 42   0     0.9121     1.0000     0.0879     0.9916     0.9428     0.0488
 43   0     0.9037     1.0000     0.0963     0.9844     0.9331     0.0513
 44   0     0.9251     1.0000     0.0749     0.9887     0.9365     0.0522
 45   0     6.1611     6.0000    -0.1611     3.9945     3.6787     0.3158
 46   0     6.1684     6.0000    -0.1684     4.0036     3.6768     0.3268
 47   0     6.1885     6.0000    -0.1885     4.0232     3.7032     0.3200
 48   0     6.1016     6.0000    -0.1016     3.9632     3.6500     0.3132
 49   0     6.2222     6.0000    -0.2222     3.9936     3.6721     0.3215
 50   0     0.9150     1.0000     0.0850     0.9884     0.9365     0.0519
 51   0     0.9125     1.0000     0.0875     0.9931     0.9413     0.0518
 52   0     0.9093     1.0000     0.0907     0.9850     0.9323     0.0527
 53   0     0.9138     1.0000     0.0862     0.9853     0.9294     0.0559
 54   0     0.9097     1.0000     0.0903     0.9864     0.9355     0.0509
 55   0     0.9218     1.0000     0.0782     0.9853     0.9331     0.0522
 56   0     0.9166     1.0000     0.0834     0.9872     0.9342     0.0530
 57   0     0.9198     1.0000     0.0802     0.9874     0.9357     0.0517
 58   0     0.9155     1.0000     0.0845     0.9819     0.9293     0.0526
 59   0     0.9240     1.0000     0.0760     0.9861     0.9321     0.0540
 60   0     6.1129     6.0000    -0.1129     3.9754     3.6656     0.3098
 61   0     6.1866     6.0000    -0.1866     4.0031     3.6807     0.3224
 62   0     6.2220     6.0000    -0.2220     4.0226     3.6904     0.3322
 63   0     6.1110     6.0000    -0.1110     3.9850     3.6731     0.3119
 64   0     6.2010     6.0000    -0.2010     4.0109     3.6844     0.3265
 65   0     0.9338     1.0000     0.0662     1.0072     0.9579     0.0493
 66   0     0.9174     1.0000     0.0826     0.9855     0.9342     0.0513
 67   0     0.9116     1.0000     0.0884     0.9832     0.9320     0.0512
 68   0     0.9144     1.0000     0.0856     0.9875     0.9353     0.0522
 69   0     0.8925     1.0000     0.1075     0.9826     0.9321     0.0505
 70   0     0.9142     1.0000     0.0858     0.9786     0.9219     0.0567
 71   0     0.9113     1.0000     0.0887     0.9825     0.9313     0.0512
 72   0     0.9287     1.0000     0.0713     0.9973     0.9470     0.0503
 73   0     0.9183     1.0000     0.0817     0.9820     0.9291     0.0529
 74   0     0.9205     1.0000     0.0795     0.9829     0.9286     0.0543
 75   0     6.1713     6.0000    -0.1713     4.0077     3.6880     0.3197
 76   0     6.1723     6.0000    -0.1723     4.0134     3.6979     0.3155
 77   0     6.1689     6.0000    -0.1689     3.9772     3.6545     0.3227
 78   0     6.2149     6.0000    -0.2149     4.0020     3.6717     0.3303
 79   0     6.1296     6.0000    -0.1296     4.0161     3.7011     0.3150
 80   0     0.9215     1.0000     0.0785     0.9857     0.9308     0.0549
 81   0     0.9157     1.0000     0.0843     0.9854     0.9342     0.0512
 82   0     0.9132     1.0000     0.0868     0.9852     0.9325     0.0527
 83   0     0.9194     1.0000     0.0806     0.9848     0.9355     0.0493
 84   0     0.9053     1.0000     0.0947     0.9888     0.9357     0.0531
 85   0     0.9208     1.0000     0.0792     0.9890     0.9370     0.0520
 86   0     0.9105     1.0000     0.0895     0.9861     0.9336     0.0525
 87   0     0.9160     1.0000     0.0840     0.9814     0.9285     0.0529
 88   0     0.9035     1.0000     0.0965     0.9869     0.9350     0.0519
 89   0     0.9167     1.0000     0.0833     0.9869     0.9343     0.0526
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.906517
                0             6               4            6                0.903363
                0             6               5            1                0.943571
                0             6               6            1                0.951776
                1             6               2            6                0.904915
                1             6               7            1                0.944233
                1             6               8            1                0.955541
                2             6               3            6                0.913932
                2             6               9            1                0.938799
                2             6              10            1                0.966821
                3             6               4            6                0.912712
                3             6              11            1                0.949602
                3             6              12            1                0.957494
                4             6              13            1                0.948437
                4             6              14            1                0.953967
               15             6              16            6                0.886305
               15             6              19            6                0.912367
               15             6              20            1                0.945780
               15             6              21            1                0.963654
               16             6              17            6                0.896240
               16             6              22            1                0.962718
               16             6              23            1                0.954212
               17             6              18            6                0.905090
               17             6              24            1                0.945422
               17             6              25            1                0.953573
               18             6              19            6                0.909565
               18             6              26            1                0.957002
               18             6              27            1                0.946293
               19             6              28            1                0.956569
               19             6              29            1                0.955320
               30             6              31            6                0.901877
               30             6              34            6                0.906467
               30             6              35            1                0.953530
               30             6              36            1                0.942698
               31             6              32            6                0.910269
               31             6              37            1                0.956202
               31             6              38            1                0.948789
               32             6              33            6                0.920120
               32             6              39            1                0.955304
               32             6              40            1                0.947538
               33             6              34            6                0.898455
               33             6              41            1                0.943479
               33             6              42            1                0.953508
               34             6              43            1                0.943849
               34             6              44            1                0.961409
               45             6              46            6                0.916635
               45             6              49            6                0.904435
               45             6              50            1                0.945873
               45             6              51            1                0.951994
               46             6              47            6                0.905627
               46             6              52            1                0.946257
               46             6              53            1                0.950104
               47             6              48            6                0.915370
               47             6              54            1                0.949203
               47             6              55            1                0.956279
               48             6              49            6                0.891009
               48             6              56            1                0.946359
               48             6              57            1                0.955426
               49             6              58            1                0.950704
               49             6              59            1                0.955427
               60             6              61            6                0.899117
               60             6              64            6                0.886341
               60             6              65            1                0.961743
               60             6              66            1                0.956951
               61             6              62            6                0.904048
               61             6              67            1                0.951496
               61             6              68            1                0.948862
               62             6              63            6                0.912501
               62             6              69            1                0.944705
               62             6              70            1                0.951726
               63             6              64            6                0.905697
               63             6              71            1                0.942589
               63             6              72            1                0.955429
               64             6              73            1                0.955599
               64             6              74            1                0.952901
               75             6              76            6                0.905362
               75             6              79            6                0.923311
               75             6              80            1                0.950266
               75             6              81            1                0.947931
               76             6              77            6                0.907782
               76             6              82            1                0.946170
               76             6              83            1                0.969118
               77             6              78            6                0.892895
               77             6              84            1                0.941012
               77             6              85            1                0.960091
               78             6              79            6                0.903832
               78             6              86            1                0.948655
               78             6              87            1                0.956594
               79             6              88            1                0.941792
               79             6              89            1                0.954940
# -----------------------------------------------------------
$ Mayer_Pop
   description: The Mayer population analysis
   geom. index: 1
   prop. index: 3
     Number of atoms                     : 90
     Threshold for printing              : 0.1000000
     Number of bond orders printed       : 90
  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   0     6.2320     6.0000    -0.2320     3.9912     3.6678     0.3234
  1   0     6.2298     6.0000    -0.2298     3.9870     3.6683     0.3187
  2   0     6.1831     6.0000    -0.1831     3.9700     3.6628     0.3072
  3   0     6.2224     6.0000    -0.2224     3.9950     3.6876     0.3074
  4   0     6.1980     6.0000    -0.1980     3.9849     3.6734     0.3115
  5   0     0.8794     1.0000     0.1206     0.9771     0.9260     0.0511
  6   0     0.8973     1.0000     0.1027     0.9800     0.9260     0.0540
  7   0     0.8875     1.0000     0.1125     0.9769     0.9250     0.0519
  8   0     0.8935     1.0000     0.1065     0.9811     0.9296     0.0515
  9   0     0.8941     1.0000     0.1059     0.9779     0.9246     0.0533
 10   0     0.8988     1.0000     0.1012     0.9821     0.9338     0.0483
 11   0     0.8965     1.0000     0.1035     0.9813     0.9305     0.0508
 12   0     0.8986     1.0000     0.1014     0.9805     0.9303     0.0502
 13   0     0.8996     1.0000     0.1004     0.9886     0.9348     0.0538
 14   0     0.8904     1.0000     0.1096     0.9818     0.9331     0.0487
 15   0     6.2480     6.0000    -0.2480     4.0049     3.6811     0.3238
 16   0     6.1165     6.0000    -0.1165     3.9622     3.6444     0.3178
 17   0     6.2978     6.0000    -0.2978     3.9910     3.6612     0.3298
 18   0     6.2470     6.0000    -0.2470     3.9954     3.6650     0.3304
 19   0     6.2047     6.0000    -0.2047     4.0015     3.6832     0.3183
 20   0     0.9073     1.0000     0.0927     0.9960     0.9424     0.0536
 21   0     0.8925     1.0000     0.1075     0.9777     0.9285     0.0492
 22   0     0.9104     1.0000     0.0896     1.0078     0.9573     0.0505
 23   0     0.8831     1.0000     0.1169     0.9909     0.9422     0.0487
 24   0     0.8763     1.0000     0.1237     0.9653     0.9148     0.0505
 25   0     0.8853     1.0000     0.1147     0.9716     0.9194     0.0522
 26   0     0.8822     1.0000     0.1178     0.9755     0.9243     0.0512
 27   0     0.8830     1.0000     0.1170     0.9735     0.9204     0.0531
 28   0     0.8863     1.0000     0.1137     0.9786     0.9297     0.0489
 29   0     0.8846     1.0000     0.1154     0.9879     0.9383     0.0496
 30   0     6.2291     6.0000    -0.2291     3.9700     3.6525     0.3175
 31   0     6.2195     6.0000    -0.2195     3.9764     3.6597     0.3167
 32   0     6.2212     6.0000    -0.2212     4.0076     3.6962     0.3114
 33   0     6.1748     6.0000    -0.1748     3.9827     3.6702     0.3125
 34   0     6.2536     6.0000    -0.2536     3.9989     3.6779     0.3210
 35   0     0.8893     1.0000     0.1107     0.9787     0.9276     0.0511
 36   0     0.8894     1.0000     0.1106     0.9777     0.9260     0.0517
 37   0     0.8916     1.0000     0.1084     0.9770     0.9257     0.0513
 38   0     0.8872     1.0000     0.1128     0.9760     0.9244     0.0516
 39   0     0.8903     1.0000     0.1097     0.9807     0.9320     0.0487
 40   0     0.8930     1.0000     0.1070     0.9781     0.9268     0.0513
 41   0     0.8964     1.0000     0.1036     0.9787     0.9250     0.0537
 42   0     0.8871     1.0000     0.1129     0.9834     0.9357     0.0477
 43   0     0.8810     1.0000     0.1190     0.9764     0.9262     0.0502
 44   0     0.8965     1.0000     0.1035     0.9794     0.9284     0.0510
 45   0     6.2151     6.0000    -0.2151     3.9870     3.6755     0.3115
 46   0     6.2118     6.0000    -0.2118     3.9880     3.6657     0.3223
 47   0     6.2397     6.0000    -0.2397     4.0011     3.6850     0.3161
 48   0     6.1546     6.0000    -0.1546     3.9491     3.6399     0.3092
 49   0     6.2704     6.0000    -0.2704     3.9784     3.6614     0.3170
 50   0     0.8910     1.0000     0.1090     0.9825     0.9317     0.0508
 51   0     0.8854     1.0000     0.1146     0.9842     0.9336     0.0506
 52   0     0.8881     1.0000     0.1119     0.9791     0.9274     0.0517
 53   0     0.8903     1.0000     0.1097     0.9778     0.9229     0.0549
 54   0     0.8855     1.0000     0.1145     0.9783     0.9285     0.0498
 55   0     0.8955     1.0000     0.1045     0.9765     0.9254     0.0511
 56   0     0.8928     1.0000     0.1072     0.9801     0.9282     0.0519
 57   0     0.8952     1.0000     0.1048     0.9802     0.9295     0.0507
 58   0     0.8892     1.0000     0.1108     0.9744     0.9230     0.0514
 59   0     0.8951     1.0000     0.1049     0.9760     0.9233     0.0527
 60   0     6.1817     6.0000    -0.1817     3.9600     3.6543     0.3057
 61   0     6.2299     6.0000    -0.2299     3.9817     3.6635     0.3182
 62   0     6.2571     6.0000    -0.2571     3.9981     3.6704     0.3277
 63   0     6.1738     6.0000    -0.1738     3.9831     3.6754     0.3077
 64   0     6.2442     6.0000    -0.2442     3.9707     3.6487     0.3220
 65   0     0.8979     1.0000     0.1021     0.9981     0.9501     0.0480
 66   0     0.8935     1.0000     0.1065     0.9777     0.9274     0.0503
 67   0     0.8881     1.0000     0.1119     0.9746     0.9244     0.0502
 68   0     0.8896     1.0000     0.1104     0.9811     0.9301     0.0510
 69   0     0.8729     1.0000     0.1271     0.9755     0.9260     0.0495
 70   0     0.8884     1.0000     0.1116     0.9724     0.9170     0.0554
 71   0     0.8907     1.0000     0.1093     0.9774     0.9271     0.0503
 72   0     0.8994     1.0000     0.1006     0.9903     0.9412     0.0491
 73   0     0.8943     1.0000     0.1057     0.9749     0.9230     0.0519
 74   0     0.8939     1.0000     0.1061     0.9815     0.9286     0.0529
 75   0     6.2174     6.0000    -0.2174     3.9889     3.6735     0.3154
 76   0     6.2236     6.0000    -0.2236     3.9912     3.6798     0.3114
 77   0     6.2155     6.0000    -0.2155     3.9610     3.6426     0.3184
 78   0     6.2637     6.0000    -0.2637     3.9943     3.6684     0.3259
 79   0     6.1800     6.0000    -0.1800     4.0094     3.6986     0.3108
 80   0     0.8958     1.0000     0.1042     0.9768     0.9230     0.0538
 81   0     0.8922     1.0000     0.1078     0.9777     0.9275     0.0502
 82   0     0.8883     1.0000     0.1117     0.9770     0.9254     0.0516
 83   0     0.8924     1.0000     0.1076     0.9757     0.9275     0.0482
 84   0     0.8821     1.0000     0.1179     0.9824     0.9305     0.0519
 85   0     0.8927     1.0000     0.1073     0.9784     0.9277     0.0507
 86   0     0.8879     1.0000     0.1121     0.9810     0.9296     0.0514
 87   0     0.8908     1.0000     0.1092     0.9738     0.9221     0.0517
 88   0     0.8823     1.0000     0.1177     0.9802     0.9293     0.0509
 89   0     0.8943     1.0000     0.1057     0.9788     0.9271     0.0517
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.914744
                0             6               4            6                0.915539
                0             6               5            1                0.930754
                0             6               6            1                0.938460
                1             6               2            6                0.909628
                1             6               7            1                0.933356
                1             6               8            1                0.941166
                2             6               3            6                0.922164
                2             6               9            1                0.924196
                2             6              10            1                0.956506
                3             6               4            6                0.918163
                3             6              11            1                0.935653
                3             6              12            1                0.945256
                4             6              13            1                0.933527
                4             6              14            1                0.944097
               15             6              16            6                0.894041
               15             6              19            6                0.910974
               15             6              20            1                0.934859
               15             6              21            1                0.952037
               16             6              17            6                0.905500
               16             6              22            1                0.950925
               16             6              23            1                0.941881
               17             6              18            6                0.909850
               17             6              24            1                0.932304
               17             6              25            1                0.937485
               18             6              19            6                0.917467
               18             6              26            1                0.942342
               18             6              27            1                0.930687
               19             6              28            1                0.943315
               19             6              29            1                0.943748
               30             6              31            6                0.912589
               30             6              34            6                0.911989
               30             6              35            1                0.941520
               30             6              36            1                0.930719
               31             6              32            6                0.916263
               31             6              37            1                0.941494
               31             6              38            1                0.936014
               32             6              33            6                0.931018
               32             6              39            1                0.942489
               32             6              40            1                0.935105
               33             6              34            6                0.910255
               33             6              41            1                0.925787
               33             6              42            1                0.943257
               34             6              43            1                0.930822
               34             6              44            1                0.949259
               45             6              46            6                0.929467
               45             6              49            6                0.911737
               45             6              50            1                0.934453
               45             6              51            1                0.937267
               46             6              47            6                0.912532
               46             6              52            1                0.934401
               46             6              53            1                0.933190
               47             6              48            6                0.920051
               47             6              54            1                0.936987
               47             6              55            1                0.944000
               48             6              49            6                0.905936
               48             6              56            1                0.931724
               48             6              57            1                0.943153
               49             6              58            1                0.936763
               49             6              59            1                0.939832
               60             6              61            6                0.910933
               60             6              64            6                0.887171
               60             6              65            1                0.953888
               60             6              66            1                0.941317
               61             6              62            6                0.909323
               61             6              67            1                0.937331
               61             6              68            1                0.934792
               62             6              63            6                0.924918
               62             6              69            1                0.930577
               62             6              70            1                0.936672
               63             6              64            6                0.912250
               63             6              71            1                0.929032
               63             6              72            1                0.947357
               64             6              73            1                0.940748
               64             6              74            1                0.940660
               75             6              76            6                0.912634
               75             6              79            6                0.935987
               75             6              80            1                0.934342
               75             6              81            1                0.934534
               76             6              77            6                0.914915
               76             6              82            1                0.930844
               76             6              83            1                0.957140
               77             6              78            6                0.902313
               77             6              84            1                0.926326
               77             6              85            1                0.947829
               78             6              79            6                0.917597
               78             6              86            1                0.933645
               78             6              87            1                0.942649
               79             6              88            1                0.929251
               79             6              89            1                0.939686
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2261157124
        Correlation Energy:       -5.0632852144
        Total MP2 Energy:      -1176.2894009268
# -----------------------------------------------------------
$ SCF_Electric_Properties
   description: The SCF Calculated Electric Properties
   geom. index: 1
   prop. index: 1
       Filename                          : MyMol.scfp 
       Do Dipole Moment Calculation      : true 
       Do Quadrupole Moment Calculation  : false 
       Do Polarizability Calculation     : false 
** Dipole moment part of electric properties **
        Magnitude of dipole moment (Debye) :        0.4244786521
        Electronic Contribution:
                  0    
      0       0.274896
      1       0.577228
      2       0.493510
        Nuclear Contribution:
                  0    
      0      -0.321336
      1      -0.666771
      2      -0.626604
        Total Dipole moment:
                  0    
      0      -0.046439
      1      -0.089543
      2      -0.133095
# -----------------------------------------------------------
$ MP2_Electric_Properties
   description: The MP2 Calculated Electric Properties
   geom. index: 1
   prop. index: 1
       Filename                          : MyMol.pmp2ur 
       Do Dipole Moment Calculation      : true 
       Do Quadrupole Moment Calculation  : false 
       Do Polarizability Calculation     : false 
** Dipole moment part of electric properties **
        Magnitude of dipole moment (Debye) :        0.4270453051
        Electronic Contribution:
                  0    
      0       0.274287
      1       0.575470
      2       0.493648
        Nuclear Contribution:
                  0    
      0      -0.321336
      1      -0.666771
      2      -0.626604
        Total Dipole moment:
                  0    
      0      -0.047048
      1      -0.091302
      2      -0.132957
# -----------------------------------------------------------
$ MP2_Electric_Properties
   description: The MP2 Calculated Electric Properties
   geom. index: 1
   prop. index: 2
       Filename                          : MyMol.pmp2re 
       Do Dipole Moment Calculation      : true 
       Do Quadrupole Moment Calculation  : false 
       Do Polarizability Calculation     : false 
** Dipole moment part of electric properties **
        Magnitude of dipole moment (Debye) :        0.4210324635
        Electronic Contribution:
                  0    
      0       0.276433
      1       0.562862
      2       0.505673
        Nuclear Contribution:
                  0    
      0      -0.321336
      1      -0.666771
      2      -0.626604
        Total Dipole moment:
                  0    
      0      -0.044903
      1      -0.103909
      2      -0.120932
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     19.160000000000   15.700000000000   19.630000000000
               1 C     19.950000000000   14.590000000000   18.840000000000
               2 C     19.410000000000   13.260000000000   19.340000000000
               3 C     18.580000000000   13.470000000000   20.540000000000
               4 C     18.230000000000   14.940000000000   20.610000000000
               5 H     18.600000000000   16.460000000000   19.050000000000
               6 H     19.960000000000   16.280000000000   20.170000000000
               7 H     21.060000000000   14.690000000000   18.980000000000
               8 H     19.690000000000   14.480000000000   17.790000000000
               9 H     20.290000000000   12.570000000000   19.530000000000
              10 H     18.800000000000   12.890000000000   18.580000000000
              11 H     19.040000000000   13.100000000000   21.450000000000
              12 H     17.670000000000   12.910000000000   20.420000000000
              13 H     18.340000000000   15.340000000000   21.650000000000
              14 H     17.220000000000   15.070000000000   20.340000000000
              15 C     17.600000000000   19.610000000000   25.110000000000
              16 C     17.820000000000   18.730000000000   23.830000000000
              17 C     17.780000000000   17.210000000000   24.270000000000
              18 C     17.680000000000   17.190000000000   25.820000000000
              19 C     17.630000000000   18.700000000000   26.370000000000
              20 H     16.760000000000   20.300000000000   25.090000000000
              21 H     18.460000000000   20.200000000000   25.210000000000
              22 H     18.840000000000   18.890000000000   23.490000000000
              23 H     17.150000000000   18.880000000000   23.030000000000
              24 H     18.580000000000   16.550000000000   23.950000000000
              25 H     16.890000000000   16.740000000000   23.820000000000
              26 H     18.530000000000   16.630000000000   26.210000000000
              27 H     16.800000000000   16.590000000000   26.180000000000
              28 H     18.540000000000   18.950000000000   26.870000000000
              29 H     16.730000000000   18.930000000000   26.870000000000
              30 C     20.770000000000   20.310000000000   21.430000000000
              31 C     21.610000000000   20.570000000000   20.190000000000
              32 C     22.940000000000   19.800000000000   20.380000000000
              33 C     23.110000000000   19.460000000000   21.850000000000
              34 C     21.640000000000   19.430000000000   22.370000000000
              35 H     19.910000000000   19.700000000000   21.130000000000
              36 H     20.470000000000   21.270000000000   21.910000000000
              37 H     21.790000000000   21.650000000000   20.080000000000
              38 H     21.060000000000   20.250000000000   19.280000000000
              39 H     23.660000000000   20.460000000000   19.990000000000
              40 H     22.940000000000   18.870000000000   19.790000000000
              41 H     23.720000000000   20.280000000000   22.370000000000
              42 H     23.590000000000   18.530000000000   21.950000000000
              43 H     21.490000000000   19.620000000000   23.440000000000
              44 H     21.260000000000   18.450000000000   22.200000000000
              45 C     16.890000000000   21.850000000000   28.260000000000
              46 C     16.880000000000   22.580000000000   29.610000000000
              47 C     17.520000000000   23.980000000000   29.380000000000
              48 C     18.160000000000   23.930000000000   27.990000000000
              49 C     17.860000000000   22.590000000000   27.380000000000
              50 H     15.870000000000   21.840000000000   27.870000000000
              51 H     17.280000000000   20.830000000000   28.350000000000
              52 H     17.480000000000   22.060000000000   30.390000000000
              53 H     15.820000000000   22.860000000000   29.980000000000
              54 H     18.200000000000   24.250000000000   30.180000000000
              55 H     16.730000000000   24.730000000000   29.350000000000
              56 H     19.260000000000   24.090000000000   28.060000000000
              57 H     17.690000000000   24.710000000000   27.390000000000
              58 H     18.760000000000   22.030000000000   27.120000000000
              59 H     17.470000000000   22.710000000000   26.360000000000
              60 C     14.170000000000   19.250000000000   24.080000000000
              61 C     14.240000000000   20.140000000000   22.890000000000
              62 C     14.430000000000   21.640000000000   23.440000000000
              63 C     14.020000000000   21.630000000000   24.910000000000
              64 C     13.980000000000   20.180000000000   25.290000000000
              65 H     14.990000000000   18.660000000000   24.190000000000
              66 H     13.290000000000   18.600000000000   24.080000000000
              67 H     13.320000000000   20.010000000000   22.340000000000
              68 H     15.030000000000   19.880000000000   22.180000000000
              69 H     14.040000000000   22.370000000000   22.730000000000
              70 H     15.550000000000   21.880000000000   23.470000000000
              71 H     13.000000000000   22.000000000000   25.040000000000
              72 H     14.780000000000   22.050000000000   25.520000000000
              73 H     12.960000000000   19.930000000000   25.630000000000
              74 H     14.720000000000   20.010000000000   26.100000000000
              75 C     19.190000000000   12.140000000000   26.490000000000
              76 C     17.850000000000   12.420000000000   25.780000000000
              77 C     18.060000000000   13.580000000000   24.830000000000
              78 C     19.610000000000   13.810000000000   24.760000000000
              79 C     20.290000000000   12.740000000000   25.650000000000
              80 H     19.260000000000   11.010000000000   26.590000000000
              81 H     19.210000000000   12.550000000000   27.490000000000
              82 H     17.000000000000   12.560000000000   26.480000000000
              83 H     17.600000000000   11.570000000000   25.240000000000
              84 H     17.400000000000   14.430000000000   25.090000000000
              85 H     17.710000000000   13.200000000000   23.880000000000
              86 H     19.810000000000   14.860000000000   24.960000000000
              87 H     19.920000000000   13.740000000000   23.710000000000
              88 H     21.090000000000   13.100000000000   26.340000000000
              89 H     20.640000000000   11.980000000000   24.930000000000
