-------------------------------------------------------------
----------------------- !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:    -1171.1935240159
# -----------------------------------------------------------
$ 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     6.1701     6.0000    -0.1701     3.8933     3.8933    -0.0000
  1   0     6.1466     6.0000    -0.1466     3.8324     3.8324     0.0000
  2   0     6.1241     6.0000    -0.1241     3.8860     3.8860    -0.0000
  3   0     6.2024     6.0000    -0.2024     3.8905     3.8905    -0.0000
  4   0     6.1677     6.0000    -0.1677     3.8952     3.8952     0.0000
  5   0     0.9145     1.0000     0.0855     0.9698     0.9698    -0.0000
  6   0     0.9047     1.0000     0.0953     0.9719     0.9719     0.0000
  7   0     0.9272     1.0000     0.0728     0.9814     0.9814     0.0000
  8   0     0.9749     1.0000     0.0251     1.0133     1.0133    -0.0000
  9   0     0.8983     1.0000     0.1017     0.9772     0.9772     0.0000
 10   0     0.9181     1.0000     0.0819     0.9719     0.9719     0.0000
 11   0     0.9212     1.0000     0.0788     0.9709     0.9709    -0.0000
 12   0     0.9036     1.0000     0.0964     0.9726     0.9726     0.0000
 13   0     0.9124     1.0000     0.0876     0.9708     0.9708     0.0000
 14   0     0.9089     1.0000     0.0911     0.9752     0.9752    -0.0000
 15   0     6.1765     6.0000    -0.1765     3.9000     3.9000     0.0000
 16   0     6.1682     6.0000    -0.1682     3.8632     3.8632    -0.0000
 17   0     6.1616     6.0000    -0.1616     3.8630     3.8630     0.0000
 18   0     6.2033     6.0000    -0.2033     3.8931     3.8931     0.0000
 19   0     6.1262     6.0000    -0.1262     3.8803     3.8803     0.0000
 20   0     0.9158     1.0000     0.0842     0.9777     0.9777     0.0000
 21   0     0.9065     1.0000     0.0935     0.9768     0.9768     0.0000
 22   0     0.9108     1.0000     0.0892     0.9670     0.9670    -0.0000
 23   0     0.9088     1.0000     0.0912     0.9684     0.9684     0.0000
 24   0     0.9451     1.0000     0.0549     0.9781     0.9781     0.0000
 25   0     0.9083     1.0000     0.0917     0.9749     0.9749    -0.0000
 26   0     0.9105     1.0000     0.0895     0.9699     0.9699     0.0000
 27   0     0.9090     1.0000     0.0910     0.9712     0.9712     0.0000
 28   0     0.9352     1.0000     0.0648     0.9947     0.9947     0.0000
 29   0     0.9074     1.0000     0.0926     0.9751     0.9751     0.0000
 30   0     6.2322     6.0000    -0.2322     3.8953     3.8953    -0.0000
 31   0     6.1608     6.0000    -0.1608     3.8738     3.8738     0.0000
 32   0     6.0938     6.0000    -0.0938     3.8531     3.8531     0.0000
 33   0     6.1965     6.0000    -0.1965     3.9040     3.9040     0.0000
 34   0     6.1294     6.0000    -0.1294     3.8742     3.8742     0.0000
 35   0     0.9195     1.0000     0.0805     0.9719     0.9719     0.0000
 36   0     0.8988     1.0000     0.1012     0.9690     0.9690     0.0000
 37   0     0.9302     1.0000     0.0698     0.9848     0.9848     0.0000
 38   0     0.9158     1.0000     0.0842     0.9764     0.9764    -0.0000
 39   0     0.9617     1.0000     0.0383     1.0030     1.0030    -0.0000
 40   0     0.9151     1.0000     0.0849     0.9813     0.9813     0.0000
 41   0     0.9117     1.0000     0.0883     0.9736     0.9736     0.0000
 42   0     0.9103     1.0000     0.0897     0.9736     0.9736     0.0000
 43   0     0.9170     1.0000     0.0830     0.9741     0.9741     0.0000
 44   0     0.9109     1.0000     0.0891     0.9784     0.9784     0.0000
 45   0     6.1174     6.0000    -0.1174     3.8758     3.8758     0.0000
 46   0     6.1648     6.0000    -0.1648     3.9111     3.9111    -0.0000
 47   0     6.1659     6.0000    -0.1659     3.9210     3.9210     0.0000
 48   0     6.1596     6.0000    -0.1596     3.8964     3.8964     0.0000
 49   0     6.1187     6.0000    -0.1187     3.8555     3.8555     0.0000
 50   0     0.9289     1.0000     0.0711     0.9925     0.9925     0.0000
 51   0     0.9478     1.0000     0.0522     0.9833     0.9833     0.0000
 52   0     0.9174     1.0000     0.0826     0.9742     0.9742    -0.0000
 53   0     0.9082     1.0000     0.0918     0.9712     0.9712    -0.0000
 54   0     0.9151     1.0000     0.0849     0.9738     0.9738     0.0000
 55   0     0.9185     1.0000     0.0815     0.9860     0.9860     0.0000
 56   0     0.9214     1.0000     0.0786     0.9760     0.9760    -0.0000
 57   0     0.9102     1.0000     0.0898     0.9709     0.9709     0.0000
 58   0     0.9876     1.0000     0.0124     1.0209     1.0209     0.0000
 59   0     0.9360     1.0000     0.0640     0.9890     0.9890     0.0000
 60   0     6.1755     6.0000    -0.1755     3.9020     3.9020     0.0000
 61   0     6.1624     6.0000    -0.1624     3.8777     3.8777     0.0000
 62   0     6.1742     6.0000    -0.1742     3.8926     3.8926     0.0000
 63   0     6.1819     6.0000    -0.1819     3.8940     3.8940     0.0000
 64   0     6.1157     6.0000    -0.1157     3.8884     3.8884     0.0000
 65   0     0.9245     1.0000     0.0755     0.9749     0.9749     0.0000
 66   0     0.9159     1.0000     0.0841     0.9803     0.9803    -0.0000
 67   0     0.9149     1.0000     0.0851     0.9742     0.9742     0.0000
 68   0     0.9214     1.0000     0.0786     0.9761     0.9761    -0.0000
 69   0     0.9217     1.0000     0.0783     0.9758     0.9758     0.0000
 70   0     0.9115     1.0000     0.0885     0.9774     0.9774     0.0000
 71   0     0.9182     1.0000     0.0818     0.9737     0.9737     0.0000
 72   0     0.9211     1.0000     0.0789     0.9836     0.9836     0.0000
 73   0     0.9128     1.0000     0.0872     0.9756     0.9756     0.0000
 74   0     0.9277     1.0000     0.0723     0.9771     0.9771     0.0000
 75   0     6.1842     6.0000    -0.1842     3.9191     3.9191     0.0000
 76   0     6.1176     6.0000    -0.1176     3.8628     3.8628    -0.0000
 77   0     6.2075     6.0000    -0.2075     3.8552     3.8552     0.0000
 78   0     6.1712     6.0000    -0.1712     3.8578     3.8578    -0.0000
 79   0     6.1464     6.0000    -0.1464     3.8901     3.8901     0.0000
 80   0     0.8952     1.0000     0.1048     0.9716     0.9716     0.0000
 81   0     0.9174     1.0000     0.0826     0.9750     0.9750     0.0000
 82   0     0.9596     1.0000     0.0404     1.0008     1.0008     0.0000
 83   0     0.9096     1.0000     0.0904     0.9854     0.9854    -0.0000
 84   0     0.9161     1.0000     0.0839     0.9684     0.9684     0.0000
 85   0     0.9019     1.0000     0.0981     0.9671     0.9671     0.0000
 86   0     0.9198     1.0000     0.0802     0.9740     0.9740    -0.0000
 87   0     0.9135     1.0000     0.0865     0.9704     0.9704    -0.0000
 88   0     0.9169     1.0000     0.0831     0.9794     0.9794    -0.0000
 89   0     0.9143     1.0000     0.0857     0.9827     0.9827     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                0.959597
                0             6               4            6                0.973794
                0             6               5            1                0.999651
                0             6               6            1                0.984637
                1             6               2            6                0.935033
                1             6               7            1                0.995202
                1             6               8            1                1.003346
                2             6               3            6                0.982448
                2             6               9            1                0.987456
                2             6              10            1                1.002613
                3             6               4            6                0.964194
                3             6              11            1                0.981051
                3             6              12            1                0.990355
                4             6              13            1                0.990137
                4             6              14            1                0.996789
               15             6              16            6                0.967965
               15             6              19            6                0.976181
               15             6              20            1                0.992762
               15             6              21            1                0.986406
               16             6              17            6                0.951527
               16             6              22            1                0.994740
               16             6              23            1                0.984593
               17             6              18            6                0.957289
               17             6              24            1                0.999498
               17             6              25            1                0.993050
               18             6              19            6                0.968029
               18             6              26            1                0.996499
               18             6              27            1                0.989827
               19             6              28            1                0.996954
               19             6              29            1                0.981265
               30             6              31            6                0.956617
               30             6              34            6                0.964269
               30             6              35            1                0.999162
               30             6              36            1                0.991486
               31             6              32            6                0.960962
               31             6              37            1                1.001788
               31             6              38            1                0.987947
               32             6              33            6                0.958544
               32             6              39            1                1.000894
               32             6              40            1                0.989190
               33             6              34            6                0.974155
               33             6              41            1                0.994511
               33             6              42            1                0.990838
               34             6              43            1                0.991294
               34             6              44            1                0.988427
               45             6              46            6                0.971029
               45             6              49            6                0.948353
               45             6              50            1                0.991113
               45             6              51            1                0.991411
               46             6              47            6                0.973285
               46             6              52            1                1.001449
               46             6              53            1                0.993023
               47             6              48            6                0.987711
               47             6              54            1                0.991031
               47             6              55            1                0.997583
               48             6              49            6                0.954593
               48             6              56            1                0.996766
               48             6              57            1                0.987770
               49             6              58            1                1.013509
               49             6              59            1                0.994496
               60             6              61            6                0.966638
               60             6              64            6                0.974484
               60             6              65            1                0.996559
               60             6              66            1                0.993147
               61             6              62            6                0.968917
               61             6              67            1                0.990363
               61             6              68            1                0.993196
               62             6              63            6                0.966945
               62             6              69            1                0.991285
               62             6              70            1                0.988864
               63             6              64            6                0.969941
               63             6              71            1                0.989915
               63             6              72            1                0.998560
               64             6              73            1                0.989252
               64             6              74            1                0.993415
               75             6              76            6                0.977278
               75             6              79            6                0.974099
               75             6              80            1                0.982876
               75             6              81            1                0.998512
               76             6              77            6                0.951716
               76             6              82            1                0.992668
               76             6              83            1                0.992402
               77             6              78            6                0.953116
               77             6              84            1                0.996533
               77             6              85            1                0.988563
               78             6              79            6                0.950895
               78             6              86            1                0.996347
               78             6              87            1                0.991563
               79             6              88            1                0.994384
               79             6              89            1                0.998385
# -----------------------------------------------------------
$ 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     6.1787     6.0000    -0.1787     4.0070     3.6802     0.3268
  1   0     6.1537     6.0000    -0.1537     3.9441     3.6212     0.3229
  2   0     6.1331     6.0000    -0.1331     3.9976     3.6709     0.3267
  3   0     6.2105     6.0000    -0.2105     4.0041     3.6731     0.3310
  4   0     6.1755     6.0000    -0.1755     4.0058     3.6830     0.3228
  5   0     0.9103     1.0000     0.0897     0.9792     0.9273     0.0519
  6   0     0.9007     1.0000     0.0993     0.9811     0.9281     0.0530
  7   0     0.9237     1.0000     0.0763     0.9915     0.9369     0.0546
  8   0     0.9705     1.0000     0.0295     1.0248     0.9742     0.0506
  9   0     0.8940     1.0000     0.1060     0.9856     0.9371     0.0485
 10   0     0.9141     1.0000     0.0859     0.9818     0.9279     0.0539
 11   0     0.9172     1.0000     0.0828     0.9807     0.9268     0.0539
 12   0     0.8992     1.0000     0.1008     0.9810     0.9280     0.0530
 13   0     0.9083     1.0000     0.0917     0.9801     0.9271     0.0530
 14   0     0.9051     1.0000     0.0949     0.9846     0.9358     0.0488
 15   0     6.1839     6.0000    -0.1839     4.0106     3.6833     0.3273
 16   0     6.1770     6.0000    -0.1770     3.9763     3.6469     0.3294
 17   0     6.1685     6.0000    -0.1685     3.9728     3.6494     0.3234
 18   0     6.2111     6.0000    -0.2111     4.0058     3.6796     0.3262
 19   0     6.1337     6.0000    -0.1337     3.9878     3.6619     0.3259
 20   0     0.9120     1.0000     0.0880     0.9873     0.9360     0.0513
 21   0     0.9027     1.0000     0.0973     0.9858     0.9332     0.0526
 22   0     0.9068     1.0000     0.0932     0.9761     0.9251     0.0510
 23   0     0.9045     1.0000     0.0955     0.9774     0.9244     0.0530
 24   0     0.9420     1.0000     0.0580     0.9903     0.9350     0.0553
 25   0     0.9043     1.0000     0.0957     0.9839     0.9325     0.0514
 26   0     0.9067     1.0000     0.0933     0.9791     0.9270     0.0521
 27   0     0.9053     1.0000     0.0947     0.9806     0.9275     0.0531
 28   0     0.9317     1.0000     0.0683     1.0049     0.9498     0.0551
 29   0     0.9035     1.0000     0.0965     0.9841     0.9308     0.0533
 30   0     6.2404     6.0000    -0.2404     4.0114     3.6734     0.3380
 31   0     6.1674     6.0000    -0.1674     3.9822     3.6627     0.3195
 32   0     6.1013     6.0000    -0.1013     3.9590     3.6399     0.3191
 33   0     6.2045     6.0000    -0.2045     4.0173     3.6879     0.3294
 34   0     6.1364     6.0000    -0.1364     3.9806     3.6603     0.3203
 35   0     0.9158     1.0000     0.0842     0.9817     0.9244     0.0573
 36   0     0.8951     1.0000     0.1049     0.9779     0.9243     0.0536
 37   0     0.9266     1.0000     0.0734     0.9950     0.9422     0.0528
 38   0     0.9119     1.0000     0.0881     0.9860     0.9338     0.0522
 39   0     0.9580     1.0000     0.0420     1.0141     0.9591     0.0550
 40   0     0.9112     1.0000     0.0888     0.9904     0.9391     0.0513
 41   0     0.9079     1.0000     0.0921     0.9829     0.9297     0.0532
 42   0     0.9066     1.0000     0.0934     0.9830     0.9302     0.0528
 43   0     0.9133     1.0000     0.0867     0.9838     0.9291     0.0547
 44   0     0.9071     1.0000     0.0929     0.9875     0.9369     0.0506
 45   0     6.1247     6.0000    -0.1247     3.9840     3.6601     0.3239
 46   0     6.1739     6.0000    -0.1739     4.0223     3.7016     0.3207
 47   0     6.1724     6.0000    -0.1724     4.0261     3.7106     0.3155
 48   0     6.1687     6.0000    -0.1687     4.0081     3.6852     0.3229
 49   0     6.1255     6.0000    -0.1255     3.9635     3.6351     0.3284
 50   0     0.9247     1.0000     0.0753     1.0023     0.9519     0.0504
 51   0     0.9437     1.0000     0.0563     0.9941     0.9368     0.0573
 52   0     0.9135     1.0000     0.0865     0.9835     0.9317     0.0518
 53   0     0.9043     1.0000     0.0957     0.9803     0.9295     0.0508
 54   0     0.9114     1.0000     0.0886     0.9834     0.9303     0.0531
 55   0     0.9147     1.0000     0.0853     0.9953     0.9466     0.0487
 56   0     0.9174     1.0000     0.0826     0.9853     0.9337     0.0516
 57   0     0.9063     1.0000     0.0937     0.9801     0.9286     0.0515
 58   0     0.9846     1.0000     0.0154     1.0337     0.9766     0.0571
 59   0     0.9317     1.0000     0.0683     0.9991     0.9438     0.0553
 60   0     6.1829     6.0000    -0.1829     4.0103     3.6913     0.3190
 61   0     6.1704     6.0000    -0.1704     3.9880     3.6637     0.3243
 62   0     6.1812     6.0000    -0.1812     4.0007     3.6804     0.3203
 63   0     6.1898     6.0000    -0.1898     4.0046     3.6828     0.3218
 64   0     6.1237     6.0000    -0.1237     3.9940     3.6821     0.3119
 65   0     0.9208     1.0000     0.0792     0.9847     0.9327     0.0520
 66   0     0.9121     1.0000     0.0879     0.9897     0.9400     0.0497
 67   0     0.9112     1.0000     0.0888     0.9836     0.9318     0.0518
 68   0     0.9176     1.0000     0.0824     0.9857     0.9322     0.0535
 69   0     0.9179     1.0000     0.0821     0.9854     0.9309     0.0545
 70   0     0.9077     1.0000     0.0923     0.9866     0.9362     0.0504
 71   0     0.9143     1.0000     0.0857     0.9832     0.9276     0.0556
 72   0     0.9172     1.0000     0.0828     0.9930     0.9433     0.0497
 73   0     0.9090     1.0000     0.0910     0.9848     0.9357     0.0491
 74   0     0.9237     1.0000     0.0763     0.9866     0.9333     0.0533
 75   0     6.1926     6.0000    -0.1926     4.0309     3.7073     0.3236
 76   0     6.1241     6.0000    -0.1241     3.9701     3.6466     0.3235
 77   0     6.2167     6.0000    -0.2167     3.9735     3.6357     0.3378
 78   0     6.1793     6.0000    -0.1793     3.9701     3.6437     0.3264
 79   0     6.1541     6.0000    -0.1541     3.9984     3.6812     0.3172
 80   0     0.8911     1.0000     0.1089     0.9799     0.9320     0.0479
 81   0     0.9136     1.0000     0.0864     0.9845     0.9305     0.0540
 82   0     0.9558     1.0000     0.0442     1.0120     0.9546     0.0574
 83   0     0.9057     1.0000     0.0943     0.9945     0.9445     0.0500
 84   0     0.9121     1.0000     0.0879     0.9779     0.9197     0.0582
 85   0     0.8978     1.0000     0.1022     0.9758     0.9238     0.0520
 86   0     0.9157     1.0000     0.0843     0.9834     0.9297     0.0537
 87   0     0.9092     1.0000     0.0908     0.9795     0.9257     0.0538
 88   0     0.9129     1.0000     0.0871     0.9886     0.9378     0.0508
 89   0     0.9104     1.0000     0.0896     0.9920     0.9435     0.0485
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.897876
                0             6               4            6                0.909457
                0             6               5            1                0.957846
                0             6               6            1                0.942351
                1             6               2            6                0.869929
                1             6               7            1                0.951554
                1             6               8            1                0.965582
                2             6               3            6                0.918153
                2             6               9            1                0.948817
                2             6              10            1                0.959288
                3             6               4            6                0.900415
                3             6              11            1                0.938494
                3             6              12            1                0.947085
                4             6              13            1                0.947583
                4             6              14            1                0.958553
               15             6              16            6                0.902551
               15             6              19            6                0.910910
               15             6              20            1                0.952248
               15             6              21            1                0.944333
               16             6              17            6                0.887501
               16             6              22            1                0.953718
               16             6              23            1                0.942026
               17             6              18            6                0.894565
               17             6              24            1                0.957237
               17             6              25            1                0.951733
               18             6              19            6                0.905049
               18             6              26            1                0.954695
               18             6              27            1                0.947483
               19             6              28            1                0.953225
               19             6              29            1                0.938553
               30             6              31            6                0.892576
               30             6              34            6                0.900079
               30             6              35            1                0.952824
               30             6              36            1                0.948033
               31             6              32            6                0.899913
               31             6              37            1                0.960052
               31             6              38            1                0.946786
               32             6              33            6                0.893199
               32             6              39            1                0.958262
               32             6              40            1                0.948268
               33             6              34            6                0.911560
               33             6              41            1                0.951872
               33             6              42            1                0.948810
               34             6              43            1                0.947535
               34             6              44            1                0.948407
               45             6              46            6                0.910127
               45             6              49            6                0.882204
               45             6              50            1                0.951695
               45             6              51            1                0.945964
               46             6              47            6                0.909797
               46             6              52            1                0.959978
               46             6              53            1                0.952555
               47             6              48            6                0.924867
               47             6              54            1                0.948821
               47             6              55            1                0.959459
               48             6              49            6                0.891023
               48             6              56            1                0.955629
               48             6              57            1                0.946886
               49             6              58            1                0.969929
               49             6              59            1                0.950183
               60             6              61            6                0.900851
               60             6              64            6                0.912854
               60             6              65            1                0.955430
               60             6              66            1                0.954260
               61             6              62            6                0.907245
               61             6              67            1                0.949403
               61             6              68            1                0.950547
               62             6              63            6                0.903451
               62             6              69            1                0.947613
               62             6              70            1                0.949157
               63             6              64            6                0.909661
               63             6              71            1                0.945071
               63             6              72            1                0.959290
               64             6              73            1                0.950803
               64             6              74            1                0.950873
               75             6              76            6                0.915207
               75             6              79            6                0.909951
               75             6              80            1                0.944901
               75             6              81            1                0.954900
               76             6              77            6                0.885856
               76             6              82            1                0.947719
               76             6              83            1                0.952668
               77             6              78            6                0.891806
               77             6              84            1                0.948928
               77             6              85            1                0.946768
               78             6              79            6                0.888241
               78             6              86            1                0.953018
               78             6              87            1                0.948085
               79             6              88            1                0.954041
               79             6              89            1                0.960341
# -----------------------------------------------------------
$ 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     6.2251     6.0000    -0.2251     3.9768     3.6545     0.3223
  1   0     6.2149     6.0000    -0.2149     3.9342     3.6159     0.3183
  2   0     6.1884     6.0000    -0.1884     3.9713     3.6485     0.3228
  3   0     6.2555     6.0000    -0.2555     3.9884     3.6622     0.3262
  4   0     6.2240     6.0000    -0.2240     3.9806     3.6620     0.3186
  5   0     0.8844     1.0000     0.1156     0.9752     0.9246     0.0506
  6   0     0.8777     1.0000     0.1223     0.9775     0.9259     0.0516
  7   0     0.8956     1.0000     0.1044     0.9843     0.9311     0.0532
  8   0     0.9368     1.0000     0.0632     1.0178     0.9687     0.0491
  9   0     0.8729     1.0000     0.1271     0.9800     0.9325     0.0475
 10   0     0.8896     1.0000     0.1104     0.9771     0.9245     0.0526
 11   0     0.8937     1.0000     0.1063     0.9749     0.9221     0.0528
 12   0     0.8717     1.0000     0.1283     0.9730     0.9213     0.0517
 13   0     0.8841     1.0000     0.1159     0.9736     0.9218     0.0518
 14   0     0.8831     1.0000     0.1169     0.9814     0.9338     0.0476
 15   0     6.2259     6.0000    -0.2259     3.9881     3.6651     0.3230
 16   0     6.2260     6.0000    -0.2260     3.9623     3.6373     0.3250
 17   0     6.2268     6.0000    -0.2268     3.9571     3.6378     0.3193
 18   0     6.2543     6.0000    -0.2543     3.9865     3.6647     0.3218
 19   0     6.1853     6.0000    -0.1853     3.9799     3.6583     0.3216
 20   0     0.8886     1.0000     0.1114     0.9782     0.9279     0.0503
 21   0     0.8790     1.0000     0.1210     0.9791     0.9276     0.0515
 22   0     0.8804     1.0000     0.1196     0.9715     0.9217     0.0498
 23   0     0.8855     1.0000     0.1145     0.9708     0.9187     0.0521
 24   0     0.9080     1.0000     0.0920     0.9830     0.9291     0.0539
 25   0     0.8811     1.0000     0.1189     0.9752     0.9248     0.0504
 26   0     0.8811     1.0000     0.1189     0.9720     0.9210     0.0510
 27   0     0.8822     1.0000     0.1178     0.9717     0.9195     0.0522
 28   0     0.9050     1.0000     0.0950     0.9982     0.9444     0.0538
 29   0     0.8833     1.0000     0.1167     0.9768     0.9244     0.0524
 30   0     6.2775     6.0000    -0.2775     3.9948     3.6615     0.3333
 31   0     6.2198     6.0000    -0.2198     3.9758     3.6607     0.3151
 32   0     6.1676     6.0000    -0.1676     3.9579     3.6429     0.3150
 33   0     6.2494     6.0000    -0.2494     3.9998     3.6746     0.3252
 34   0     6.1883     6.0000    -0.1883     3.9774     3.6613     0.3161
 35   0     0.8911     1.0000     0.1089     0.9725     0.9162     0.0563
 36   0     0.8730     1.0000     0.1270     0.9705     0.9179     0.0526
 37   0     0.8976     1.0000     0.1024     0.9892     0.9377     0.0515
 38   0     0.8888     1.0000     0.1112     0.9785     0.9274     0.0511
 39   0     0.9232     1.0000     0.0768     1.0052     0.9516     0.0536
 40   0     0.8872     1.0000     0.1128     0.9819     0.9317     0.0502
 41   0     0.8822     1.0000     0.1178     0.9727     0.9207     0.0520
 42   0     0.8825     1.0000     0.1175     0.9748     0.9230     0.0518
 43   0     0.8909     1.0000     0.1091     0.9761     0.9223     0.0538
 44   0     0.8843     1.0000     0.1157     0.9796     0.9301     0.0495
 45   0     6.1752     6.0000    -0.1752     3.9671     3.6477     0.3194
 46   0     6.2299     6.0000    -0.2299     4.0103     3.6937     0.3166
 47   0     6.2159     6.0000    -0.2159     3.9988     3.6873     0.3115
 48   0     6.2199     6.0000    -0.2199     3.9912     3.6726     0.3186
 49   0     6.1790     6.0000    -0.1790     3.9424     3.6188     0.3236
 50   0     0.8999     1.0000     0.1001     0.9966     0.9473     0.0493
 51   0     0.9184     1.0000     0.0816     0.9933     0.9374     0.0559
 52   0     0.8876     1.0000     0.1124     0.9752     0.9245     0.0507
 53   0     0.8802     1.0000     0.1198     0.9734     0.9237     0.0497
 54   0     0.8880     1.0000     0.1120     0.9766     0.9245     0.0521
 55   0     0.8894     1.0000     0.1106     0.9862     0.9386     0.0476
 56   0     0.8904     1.0000     0.1096     0.9769     0.9264     0.0505
 57   0     0.8831     1.0000     0.1169     0.9735     0.9230     0.0505
 58   0     0.9540     1.0000     0.0460     1.0330     0.9774     0.0556
 59   0     0.9071     1.0000     0.0929     0.9924     0.9384     0.0540
 60   0     6.2322     6.0000    -0.2322     3.9862     3.6710     0.3152
 61   0     6.2202     6.0000    -0.2202     3.9754     3.6551     0.3203
 62   0     6.2262     6.0000    -0.2262     3.9875     3.6714     0.3161
 63   0     6.2396     6.0000    -0.2396     3.9897     3.6722     0.3175
 64   0     6.1837     6.0000    -0.1837     3.9834     3.6754     0.3080
 65   0     0.8944     1.0000     0.1056     0.9756     0.9247     0.0509
 66   0     0.8869     1.0000     0.1131     0.9807     0.9321     0.0486
 67   0     0.8871     1.0000     0.1129     0.9763     0.9256     0.0507
 68   0     0.8923     1.0000     0.1077     0.9772     0.9247     0.0525
 69   0     0.8930     1.0000     0.1070     0.9766     0.9231     0.0535
 70   0     0.8852     1.0000     0.1148     0.9808     0.9314     0.0494
 71   0     0.8885     1.0000     0.1115     0.9752     0.9207     0.0545
 72   0     0.8893     1.0000     0.1107     0.9845     0.9360     0.0485
 73   0     0.8852     1.0000     0.1148     0.9782     0.9301     0.0481
 74   0     0.8962     1.0000     0.1038     0.9779     0.9257     0.0522
 75   0     6.2413     6.0000    -0.2413     4.0148     3.6955     0.3193
 76   0     6.1864     6.0000    -0.1864     3.9645     3.6453     0.3192
 77   0     6.2564     6.0000    -0.2564     3.9516     3.6187     0.3329
 78   0     6.2312     6.0000    -0.2312     3.9480     3.6262     0.3218
 79   0     6.2081     6.0000    -0.2081     3.9719     3.6586     0.3133
 80   0     0.8716     1.0000     0.1284     0.9753     0.9283     0.0470
 81   0     0.8855     1.0000     0.1145     0.9768     0.9240     0.0528
 82   0     0.9162     1.0000     0.0838     1.0010     0.9453     0.0557
 83   0     0.8821     1.0000     0.1179     0.9865     0.9377     0.0488
 84   0     0.8851     1.0000     0.1149     0.9703     0.9134     0.0569
 85   0     0.8775     1.0000     0.1225     0.9700     0.9191     0.0509
 86   0     0.8873     1.0000     0.1127     0.9779     0.9256     0.0523
 87   0     0.8869     1.0000     0.1131     0.9727     0.9200     0.0527
 88   0     0.8866     1.0000     0.1134     0.9822     0.9326     0.0496
 89   0     0.8865     1.0000     0.1135     0.9832     0.9358     0.0474
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.903065
                0             6               4            6                0.914095
                0             6               5            1                0.946097
                0             6               6            1                0.927813
                1             6               2            6                0.875589
                1             6               7            1                0.936032
                1             6               8            1                0.954942
                2             6               3            6                0.926832
                2             6               9            1                0.937938
                2             6              10            1                0.940803
                3             6               4            6                0.904046
                3             6              11            1                0.927883
                3             6              12            1                0.931578
                4             6              13            1                0.932234
                4             6              14            1                0.947685
               15             6              16            6                0.906582
               15             6              19            6                0.920890
               15             6              20            1                0.939912
               15             6              21            1                0.931914
               16             6              17            6                0.895288
               16             6              22            1                0.943324
               16             6              23            1                0.928310
               17             6              18            6                0.902133
               17             6              24            1                0.943962
               17             6              25            1                0.938114
               18             6              19            6                0.915677
               18             6              26            1                0.941930
               18             6              27            1                0.931917
               19             6              28            1                0.939455
               19             6              29            1                0.926456
               30             6              31            6                0.903430
               30             6              34            6                0.911727
               30             6              35            1                0.934682
               30             6              36            1                0.934041
               31             6              32            6                0.912177
               31             6              37            1                0.948264
               31             6              38            1                0.933454
               32             6              33            6                0.902841
               32             6              39            1                0.946053
               32             6              40            1                0.934843
               33             6              34            6                0.924777
               33             6              41            1                0.935497
               33             6              42            1                0.935722
               34             6              43            1                0.932609
               34             6              44            1                0.937146
               45             6              46            6                0.923596
               45             6              49            6                0.886751
               45             6              50            1                0.940786
               45             6              51            1                0.930097
               46             6              47            6                0.915875
               46             6              52            1                0.945100
               46             6              53            1                0.938907
               47             6              48            6                0.930421
               47             6              54            1                0.934342
               47             6              55            1                0.947512
               48             6              49            6                0.901524
               48             6              56            1                0.940215
               48             6              57            1                0.935012
               49             6              58            1                0.959360
               49             6              59            1                0.930464
               60             6              61            6                0.905432
               60             6              64            6                0.918908
               60             6              65            1                0.943460
               60             6              66            1                0.941619
               61             6              62            6                0.920383
               61             6              67            1                0.937886
               61             6              68            1                0.937068
               62             6              63            6                0.909465
               62             6              69            1                0.933561
               62             6              70            1                0.939032
               63             6              64            6                0.922361
               63             6              71            1                0.929348
               63             6              72            1                0.949509
               64             6              73            1                0.939868
               64             6              74            1                0.936907
               75             6              76            6                0.923066
               75             6              79            6                0.915015
               75             6              80            1                0.933815
               75             6              81            1                0.940444
               76             6              77            6                0.895113
               76             6              82            1                0.935364
               76             6              83            1                0.938632
               77             6              78            6                0.900889
               77             6              84            1                0.928298
               77             6              85            1                0.933202
               78             6              79            6                0.892063
               78             6              86            1                0.938646
               78             6              87            1                0.932336
               79             6              88            1                0.942920
               79             6              89            1                0.946083
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1935240159
        Correlation Energy:       -5.0755643511
        Total MP2 Energy:      -1176.2690883670
# -----------------------------------------------------------
$ 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) :        0.1836244369
        Electronic Contribution:
                  0    
      0      -0.200686
      1      -0.735225
      2       0.549048
        Nuclear Contribution:
                  0    
      0       0.232968
      1       0.698905
      2      -0.602504
        Total Dipole moment:
                  0    
      0       0.032283
      1      -0.036320
      2      -0.053456
# -----------------------------------------------------------
$ 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) :        0.1820230119
        Electronic Contribution:
                  0    
      0      -0.200103
      1      -0.733569
      2       0.549152
        Nuclear Contribution:
                  0    
      0       0.232968
      1       0.698905
      2      -0.602504
        Total Dipole moment:
                  0    
      0       0.032866
      1      -0.034664
      2      -0.053353
# -----------------------------------------------------------
$ 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) :        0.1820660448
        Electronic Contribution:
                  0    
      0      -0.194567
      1      -0.704400
      2       0.542289
        Nuclear Contribution:
                  0    
      0       0.232968
      1       0.698905
      2      -0.602504
        Total Dipole moment:
                  0    
      0       0.038401
      1      -0.005495
      2      -0.060215
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     24.180000000000   19.940000000000   18.620000000000
               1 C     23.310000000000   19.030000000000   19.440000000000
               2 C     22.230000000000   20.000000000000   20.090000000000
               3 C     22.610000000000   21.480000000000   19.850000000000
               4 C     23.730000000000   21.440000000000   18.800000000000
               5 H     23.990000000000   19.590000000000   17.620000000000
               6 H     25.270000000000   19.850000000000   18.790000000000
               7 H     23.850000000000   18.500000000000   20.230000000000
               8 H     23.040000000000   18.250000000000   18.850000000000
               9 H     21.990000000000   19.760000000000   21.100000000000
              10 H     21.370000000000   19.860000000000   19.430000000000
              11 H     22.930000000000   21.880000000000   20.840000000000
              12 H     21.830000000000   22.160000000000   19.390000000000
              13 H     24.600000000000   22.050000000000   19.120000000000
              14 H     23.330000000000   21.920000000000   17.980000000000
              15 C     23.480000000000   15.020000000000   17.580000000000
              16 C     22.180000000000   15.890000000000   17.450000000000
              17 C     22.380000000000   16.810000000000   16.200000000000
              18 C     23.800000000000   16.550000000000   15.600000000000
              19 C     24.540000000000   15.570000000000   16.530000000000
              20 H     23.170000000000   14.030000000000   17.290000000000
              21 H     23.750000000000   15.040000000000   18.660000000000
              22 H     22.050000000000   16.450000000000   18.360000000000
              23 H     21.250000000000   15.270000000000   17.300000000000
              24 H     22.210000000000   17.820000000000   16.510000000000
              25 H     21.560000000000   16.690000000000   15.490000000000
              26 H     24.420000000000   17.440000000000   15.500000000000
              27 H     23.720000000000   16.240000000000   14.530000000000
              28 H     25.290000000000   16.210000000000   17.050000000000
              29 H     25.000000000000   14.740000000000   15.910000000000
              30 C     18.590000000000   21.380000000000   16.160000000000
              31 C     20.070000000000   21.610000000000   16.670000000000
              32 C     21.050000000000   20.960000000000   15.730000000000
              33 C     20.240000000000   20.670000000000   14.400000000000
              34 C     18.730000000000   20.700000000000   14.770000000000
              35 H     17.980000000000   22.350000000000   15.980000000000
              36 H     17.830000000000   20.820000000000   16.780000000000
              37 H     20.220000000000   21.100000000000   17.600000000000
              38 H     20.200000000000   22.690000000000   16.810000000000
              39 H     21.370000000000   20.030000000000   16.210000000000
              40 H     21.880000000000   21.640000000000   15.570000000000
              41 H     20.640000000000   19.730000000000   13.990000000000
              42 H     20.580000000000   21.340000000000   13.590000000000
              43 H     18.320000000000   19.660000000000   14.970000000000
              44 H     18.200000000000   21.210000000000   13.980000000000
              45 C     25.170000000000   19.530000000000   22.510000000000
              46 C     25.560000000000   19.700000000000   23.960000000000
              47 C     26.810000000000   20.630000000000   24.070000000000
              48 C     27.060000000000   21.210000000000   22.670000000000
              49 C     26.240000000000   20.350000000000   21.690000000000
              50 H     24.230000000000   19.960000000000   22.290000000000
              51 H     25.340000000000   18.460000000000   22.160000000000
              52 H     25.810000000000   18.750000000000   24.420000000000
              53 H     24.710000000000   20.030000000000   24.540000000000
              54 H     27.650000000000   20.000000000000   24.450000000000
              55 H     26.710000000000   21.460000000000   24.680000000000
              56 H     28.090000000000   21.090000000000   22.380000000000
              57 H     26.820000000000   22.280000000000   22.560000000000
              58 H     26.880000000000   19.690000000000   21.150000000000
              59 H     25.840000000000   21.060000000000   20.920000000000
              60 C     19.640000000000   27.380000000000   19.760000000000
              61 C     21.160000000000   27.210000000000   19.320000000000
              62 C     21.470000000000   25.710000000000   19.330000000000
              63 C     20.190000000000   25.020000000000   19.890000000000
              64 C     19.190000000000   26.050000000000   20.360000000000
              65 H     19.090000000000   27.620000000000   18.860000000000
              66 H     19.500000000000   28.230000000000   20.370000000000
              67 H     21.810000000000   27.790000000000   19.980000000000
              68 H     21.290000000000   27.640000000000   18.300000000000
              69 H     22.310000000000   25.560000000000   20.070000000000
              70 H     21.750000000000   25.290000000000   18.380000000000
              71 H     20.420000000000   24.340000000000   20.790000000000
              72 H     19.770000000000   24.420000000000   19.140000000000
              73 H     19.060000000000   26.110000000000   21.410000000000
              74 H     18.200000000000   25.850000000000   19.900000000000
              75 C     26.560000000000   16.060000000000   20.820000000000
              76 C     26.620000000000   16.850000000000   19.500000000000
              77 C     27.970000000000   17.670000000000   19.550000000000
              78 C     28.500000000000   17.640000000000   20.970000000000
              79 C     27.650000000000   16.650000000000   21.770000000000
              80 H     26.610000000000   15.010000000000   20.710000000000
              81 H     25.640000000000   16.300000000000   21.390000000000
              82 H     25.770000000000   17.590000000000   19.390000000000
              83 H     26.770000000000   16.270000000000   18.630000000000
              84 H     27.820000000000   18.790000000000   19.250000000000
              85 H     28.680000000000   17.330000000000   18.770000000000
              86 H     28.510000000000   18.650000000000   21.430000000000
              87 H     29.590000000000   17.340000000000   20.930000000000
              88 H     27.210000000000   17.070000000000   22.660000000000
              89 H     28.390000000000   15.990000000000   22.030000000000
