-------------------------------------------------------------
----------------------- !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:    -1171.1972828129
# -----------------------------------------------------------
$ 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     6.1555     6.0000    -0.1555     3.8793     3.8793     0.0000
  1   0     6.1851     6.0000    -0.1851     3.8946     3.8946    -0.0000
  2   0     6.1665     6.0000    -0.1665     3.8989     3.8989    -0.0000
  3   0     6.1344     6.0000    -0.1344     3.9366     3.9366    -0.0000
  4   0     6.1485     6.0000    -0.1485     3.9217     3.9217    -0.0000
  5   0     0.9238     1.0000     0.0762     0.9771     0.9771    -0.0000
  6   0     0.9073     1.0000     0.0927     0.9777     0.9777    -0.0000
  7   0     0.9476     1.0000     0.0524     0.9798     0.9798    -0.0000
  8   0     0.9155     1.0000     0.0845     0.9825     0.9825    -0.0000
  9   0     0.9325     1.0000     0.0675     0.9720     0.9720    -0.0000
 10   0     0.9043     1.0000     0.0957     0.9699     0.9699    -0.0000
 11   0     0.9207     1.0000     0.0793     0.9755     0.9755    -0.0000
 12   0     0.9185     1.0000     0.0815     0.9764     0.9764    -0.0000
 13   0     0.9271     1.0000     0.0729     0.9761     0.9761    -0.0000
 14   0     0.9172     1.0000     0.0828     0.9757     0.9757    -0.0000
 15   0     6.1662     6.0000    -0.1662     3.9165     3.9165     0.0000
 16   0     6.1706     6.0000    -0.1706     3.8892     3.8892    -0.0000
 17   0     6.1556     6.0000    -0.1556     3.9034     3.9034    -0.0000
 18   0     6.1537     6.0000    -0.1537     3.9056     3.9056     0.0000
 19   0     6.1166     6.0000    -0.1166     3.9056     3.9056     0.0000
 20   0     0.9213     1.0000     0.0787     0.9757     0.9757     0.0000
 21   0     0.9291     1.0000     0.0709     0.9817     0.9817    -0.0000
 22   0     0.9143     1.0000     0.0857     0.9694     0.9694     0.0000
 23   0     0.9339     1.0000     0.0661     0.9769     0.9769    -0.0000
 24   0     0.9223     1.0000     0.0777     0.9827     0.9827    -0.0000
 25   0     0.9202     1.0000     0.0798     0.9731     0.9731    -0.0000
 26   0     0.9141     1.0000     0.0859     0.9787     0.9787     0.0000
 27   0     0.9486     1.0000     0.0514     0.9848     0.9848     0.0000
 28   0     0.8982     1.0000     0.1018     0.9757     0.9757     0.0000
 29   0     0.9370     1.0000     0.0630     0.9956     0.9956    -0.0000
 30   0     6.1662     6.0000    -0.1662     3.9204     3.9204     0.0000
 31   0     6.1386     6.0000    -0.1386     3.8774     3.8774     0.0000
 32   0     6.1795     6.0000    -0.1795     3.8707     3.8707     0.0000
 33   0     6.1946     6.0000    -0.1946     3.8826     3.8826     0.0000
 34   0     6.1372     6.0000    -0.1372     3.9008     3.9008     0.0000
 35   0     0.9244     1.0000     0.0756     0.9809     0.9809    -0.0000
 36   0     0.9159     1.0000     0.0841     0.9744     0.9744    -0.0000
 37   0     0.9287     1.0000     0.0713     0.9810     0.9810    -0.0000
 38   0     0.9143     1.0000     0.0857     0.9702     0.9702     0.0000
 39   0     0.9161     1.0000     0.0839     0.9736     0.9736     0.0000
 40   0     0.9312     1.0000     0.0688     0.9873     0.9873    -0.0000
 41   0     0.9226     1.0000     0.0774     0.9799     0.9799    -0.0000
 42   0     0.9043     1.0000     0.0957     0.9669     0.9669     0.0000
 43   0     0.9196     1.0000     0.0804     0.9801     0.9801     0.0000
 44   0     0.9019     1.0000     0.0981     0.9718     0.9718    -0.0000
 45   0     6.1480     6.0000    -0.1480     3.8427     3.8427    -0.0000
 46   0     6.2248     6.0000    -0.2248     3.8775     3.8775    -0.0000
 47   0     6.1043     6.0000    -0.1043     3.8935     3.8935     0.0000
 48   0     6.1668     6.0000    -0.1668     3.9027     3.9027     0.0000
 49   0     6.1728     6.0000    -0.1728     3.8888     3.8888     0.0000
 50   0     0.9138     1.0000     0.0862     0.9766     0.9766    -0.0000
 51   0     0.9185     1.0000     0.0815     0.9772     0.9772    -0.0000
 52   0     0.9362     1.0000     0.0638     0.9726     0.9726    -0.0000
 53   0     0.9081     1.0000     0.0919     0.9779     0.9779     0.0000
 54   0     0.9117     1.0000     0.0883     0.9736     0.9736    -0.0000
 55   0     0.9284     1.0000     0.0716     0.9811     0.9811     0.0000
 56   0     0.9163     1.0000     0.0837     0.9786     0.9786     0.0000
 57   0     0.9145     1.0000     0.0855     0.9722     0.9722     0.0000
 58   0     0.9185     1.0000     0.0815     0.9740     0.9740    -0.0000
 59   0     0.9089     1.0000     0.0911     0.9742     0.9742     0.0000
 60   0     6.1875     6.0000    -0.1875     3.9089     3.9089    -0.0000
 61   0     6.1263     6.0000    -0.1263     3.8945     3.8945    -0.0000
 62   0     6.1751     6.0000    -0.1751     3.8933     3.8933    -0.0000
 63   0     6.1780     6.0000    -0.1780     3.8973     3.8973     0.0000
 64   0     6.1510     6.0000    -0.1510     3.8486     3.8486     0.0000
 65   0     0.9217     1.0000     0.0783     0.9744     0.9744     0.0000
 66   0     0.9171     1.0000     0.0829     0.9816     0.9816    -0.0000
 67   0     0.9060     1.0000     0.0940     0.9750     0.9750    -0.0000
 68   0     0.9236     1.0000     0.0764     0.9818     0.9818    -0.0000
 69   0     0.9191     1.0000     0.0809     0.9751     0.9751    -0.0000
 70   0     0.9207     1.0000     0.0793     0.9763     0.9763    -0.0000
 71   0     0.9205     1.0000     0.0795     0.9786     0.9786    -0.0000
 72   0     0.9165     1.0000     0.0835     0.9698     0.9698    -0.0000
 73   0     0.9046     1.0000     0.0954     0.9725     0.9725     0.0000
 74   0     0.9330     1.0000     0.0670     0.9712     0.9712     0.0000
 75   0     6.1779     6.0000    -0.1779     3.8868     3.8868    -0.0000
 76   0     6.1770     6.0000    -0.1770     3.8999     3.8999    -0.0000
 77   0     6.1139     6.0000    -0.1139     3.9169     3.9169    -0.0000
 78   0     6.1499     6.0000    -0.1499     3.9089     3.9089     0.0000
 79   0     6.1297     6.0000    -0.1297     3.8479     3.8479    -0.0000
 80   0     0.9077     1.0000     0.0923     0.9707     0.9707    -0.0000
 81   0     0.9240     1.0000     0.0760     0.9739     0.9739     0.0000
 82   0     0.9043     1.0000     0.0957     0.9745     0.9745    -0.0000
 83   0     0.9336     1.0000     0.0664     0.9737     0.9737     0.0000
 84   0     0.9259     1.0000     0.0741     0.9777     0.9777    -0.0000
 85   0     0.9133     1.0000     0.0867     0.9760     0.9760    -0.0000
 86   0     0.9334     1.0000     0.0666     0.9918     0.9918     0.0000
 87   0     0.9246     1.0000     0.0754     0.9793     0.9793    -0.0000
 88   0     0.9274     1.0000     0.0726     0.9795     0.9795    -0.0000
 89   0     0.9636     1.0000     0.0364     1.0057     1.0057    -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                0.962162
                0             6               4            6                0.973482
                0             6               5            1                0.995990
                0             6               6            1                0.989693
                1             6               2            6                0.972084
                1             6               7            1                0.986248
                1             6               8            1                0.989570
                2             6               3            6                0.974363
                2             6               9            1                1.002949
                2             6              10            1                0.989164
                3             6               4            6                0.994461
                3             6              11            1                0.998789
                3             6              12            1                0.989181
                4             6              13            1                0.991894
                4             6              14            1                0.990601
               15             6              16            6                0.973227
               15             6              19            6                0.981322
               15             6              20            1                0.985593
               15             6              21            1                0.990435
               16             6              17            6                0.968425
               16             6              22            1                0.991877
               16             6              23            1                0.994204
               17             6              18            6                0.978804
               17             6              24            1                0.992479
               17             6              25            1                0.994194
               18             6              19            6                0.972171
               18             6              26            1                0.987004
               18             6              27            1                0.996520
               19             6              28            1                0.980912
               19             6              29            1                1.000661
               30             6              31            6                0.972034
               30             6              34            6                0.990811
               30             6              35            1                0.986930
               30             6              36            1                0.991903
               31             6              32            6                0.964238
               31             6              37            1                0.999178
               31             6              38            1                0.989854
               32             6              33            6                0.962902
               32             6              39            1                0.989337
               32             6              40            1                0.994398
               33             6              34            6                0.959820
               33             6              41            1                0.991451
               33             6              42            1                0.986535
               34             6              43            1                0.996931
               34             6              44            1                0.986608
               45             6              46            6                0.947552
               45             6              49            6                0.956257
               45             6              50            1                0.997688
               45             6              51            1                0.992700
               46             6              47            6                0.960830
               46             6              52            1                0.996962
               46             6              53            1                0.993137
               47             6              48            6                0.982191
               47             6              54            1                0.988770
               47             6              55            1                0.996814
               48             6              49            6                0.971124
               48             6              56            1                0.991739
               48             6              57            1                0.992058
               49             6              58            1                0.996627
               49             6              59            1                0.990870
               60             6              61            6                0.981249
               60             6              64            6                0.952868
               60             6              65            1                1.001754
               60             6              66            1                0.984940
               61             6              62            6                0.968145
               61             6              67            1                0.978155
               61             6              68            1                0.998949
               62             6              63            6                0.972398
               62             6              69            1                0.989006
               62             6              70            1                0.995415
               63             6              64            6                0.959676
               63             6              71            1                0.990374
               63             6              72            1                0.995884
               64             6              73            1                0.984921
               64             6              74            1                1.007276
               75             6              76            6                0.972152
               75             6              79            6                0.950505
               75             6              80            1                0.988036
               75             6              81            1                0.994215
               76             6              77            6                0.970507
               76             6              82            1                0.992801
               76             6              83            1                1.001710
               77             6              78            6                0.977185
               77             6              84            1                0.993792
               77             6              85            1                0.992460
               78             6              79            6                0.945795
               78             6              86            1                0.999506
               78             6              87            1                1.001890
               79             6              88            1                0.994629
               79             6              89            1                1.003915
# -----------------------------------------------------------
$ 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     6.1633     6.0000    -0.1633     3.9893     3.6652     0.3241
  1   0     6.1913     6.0000    -0.1913     4.0039     3.6775     0.3264
  2   0     6.1755     6.0000    -0.1755     4.0112     3.6867     0.3245
  3   0     6.1423     6.0000    -0.1423     4.0400     3.7356     0.3044
  4   0     6.1564     6.0000    -0.1564     4.0278     3.7139     0.3139
  5   0     0.9200     1.0000     0.0800     0.9870     0.9343     0.0527
  6   0     0.9035     1.0000     0.0965     0.9868     0.9362     0.0506
  7   0     0.9439     1.0000     0.0561     0.9910     0.9322     0.0588
  8   0     0.9114     1.0000     0.0886     0.9916     0.9427     0.0489
  9   0     0.9286     1.0000     0.0714     0.9820     0.9274     0.0546
 10   0     0.9004     1.0000     0.0996     0.9789     0.9264     0.0525
 11   0     0.9167     1.0000     0.0833     0.9846     0.9354     0.0492
 12   0     0.9145     1.0000     0.0855     0.9857     0.9355     0.0502
 13   0     0.9233     1.0000     0.0767     0.9860     0.9332     0.0528
 14   0     0.9133     1.0000     0.0867     0.9849     0.9343     0.0506
 15   0     6.1741     6.0000    -0.1741     4.0256     3.6989     0.3267
 16   0     6.1786     6.0000    -0.1786     3.9990     3.6803     0.3187
 17   0     6.1630     6.0000    -0.1630     4.0107     3.6969     0.3138
 18   0     6.1618     6.0000    -0.1618     4.0158     3.6835     0.3323
 19   0     6.1240     6.0000    -0.1240     4.0115     3.6859     0.3256
 20   0     0.9175     1.0000     0.0825     0.9857     0.9328     0.0529
 21   0     0.9251     1.0000     0.0749     0.9913     0.9366     0.0547
 22   0     0.9103     1.0000     0.0897     0.9787     0.9273     0.0514
 23   0     0.9297     1.0000     0.0703     0.9866     0.9340     0.0526
 24   0     0.9184     1.0000     0.0816     0.9922     0.9419     0.0503
 25   0     0.9164     1.0000     0.0836     0.9828     0.9326     0.0502
 26   0     0.9102     1.0000     0.0898     0.9880     0.9369     0.0511
 27   0     0.9445     1.0000     0.0555     0.9952     0.9394     0.0558
 28   0     0.8943     1.0000     0.1057     0.9843     0.9340     0.0503
 29   0     0.9335     1.0000     0.0665     1.0060     0.9511     0.0549
 30   0     6.1741     6.0000    -0.1741     4.0278     3.7079     0.3199
 31   0     6.1468     6.0000    -0.1468     3.9856     3.6678     0.3178
 32   0     6.1881     6.0000    -0.1881     3.9854     3.6554     0.3300
 33   0     6.2025     6.0000    -0.2025     3.9962     3.6649     0.3313
 34   0     6.1454     6.0000    -0.1454     4.0101     3.6928     0.3173
 35   0     0.9205     1.0000     0.0795     0.9903     0.9370     0.0533
 36   0     0.9119     1.0000     0.0881     0.9837     0.9314     0.0523
 37   0     0.9246     1.0000     0.0754     0.9905     0.9389     0.0516
 38   0     0.9104     1.0000     0.0896     0.9796     0.9259     0.0537
 39   0     0.9119     1.0000     0.0881     0.9828     0.9326     0.0502
 40   0     0.9273     1.0000     0.0727     0.9974     0.9446     0.0528
 41   0     0.9184     1.0000     0.0816     0.9892     0.9369     0.0523
 42   0     0.9004     1.0000     0.0996     0.9759     0.9215     0.0544
 43   0     0.9153     1.0000     0.0847     0.9891     0.9405     0.0486
 44   0     0.8980     1.0000     0.1020     0.9808     0.9282     0.0526
 45   0     6.1557     6.0000    -0.1557     3.9538     3.6313     0.3225
 46   0     6.2327     6.0000    -0.2327     3.9936     3.6615     0.3321
 47   0     6.1128     6.0000    -0.1128     3.9990     3.6883     0.3107
 48   0     6.1748     6.0000    -0.1748     4.0120     3.6925     0.3195
 49   0     6.1815     6.0000    -0.1815     4.0016     3.6731     0.3285
 50   0     0.9097     1.0000     0.0903     0.9856     0.9359     0.0497
 51   0     0.9148     1.0000     0.0852     0.9869     0.9316     0.0553
 52   0     0.9322     1.0000     0.0678     0.9828     0.9222     0.0606
 53   0     0.9036     1.0000     0.0964     0.9865     0.9384     0.0481
 54   0     0.9077     1.0000     0.0923     0.9825     0.9331     0.0494
 55   0     0.9243     1.0000     0.0757     0.9907     0.9402     0.0505
 56   0     0.9123     1.0000     0.0877     0.9878     0.9352     0.0526
 57   0     0.9104     1.0000     0.0896     0.9814     0.9310     0.0504
 58   0     0.9146     1.0000     0.0854     0.9834     0.9300     0.0534
 59   0     0.9048     1.0000     0.0952     0.9830     0.9307     0.0523
 60   0     6.1950     6.0000    -0.1950     4.0175     3.6987     0.3188
 61   0     6.1336     6.0000    -0.1336     4.0004     3.6823     0.3181
 62   0     6.1829     6.0000    -0.1829     4.0031     3.6820     0.3211
 63   0     6.1856     6.0000    -0.1856     4.0057     3.6864     0.3193
 64   0     6.1583     6.0000    -0.1583     3.9573     3.6407     0.3166
 65   0     0.9177     1.0000     0.0823     0.9836     0.9327     0.0509
 66   0     0.9138     1.0000     0.0862     0.9917     0.9386     0.0531
 67   0     0.9024     1.0000     0.0976     0.9843     0.9307     0.0536
 68   0     0.9196     1.0000     0.0804     0.9914     0.9411     0.0503
 69   0     0.9154     1.0000     0.0846     0.9847     0.9330     0.0517
 70   0     0.9169     1.0000     0.0831     0.9858     0.9336     0.0522
 71   0     0.9168     1.0000     0.0832     0.9881     0.9361     0.0520
 72   0     0.9128     1.0000     0.0872     0.9793     0.9256     0.0537
 73   0     0.9009     1.0000     0.0991     0.9817     0.9317     0.0500
 74   0     0.9292     1.0000     0.0708     0.9814     0.9269     0.0545
 75   0     6.1862     6.0000    -0.1862     3.9991     3.6697     0.3294
 76   0     6.1840     6.0000    -0.1840     4.0078     3.6916     0.3162
 77   0     6.1223     6.0000    -0.1223     4.0210     3.7113     0.3097
 78   0     6.1568     6.0000    -0.1568     4.0145     3.6965     0.3180
 79   0     6.1363     6.0000    -0.1363     3.9557     3.6349     0.3208
 80   0     0.9039     1.0000     0.0961     0.9797     0.9261     0.0536
 81   0     0.9202     1.0000     0.0798     0.9838     0.9279     0.0559
 82   0     0.9005     1.0000     0.0995     0.9833     0.9338     0.0495
 83   0     0.9299     1.0000     0.0701     0.9841     0.9300     0.0541
 84   0     0.9221     1.0000     0.0779     0.9875     0.9361     0.0514
 85   0     0.9093     1.0000     0.0907     0.9848     0.9354     0.0494
 86   0     0.9298     1.0000     0.0702     1.0019     0.9495     0.0524
 87   0     0.9209     1.0000     0.0791     0.9891     0.9360     0.0531
 88   0     0.9236     1.0000     0.0764     0.9894     0.9381     0.0513
 89   0     0.9599     1.0000     0.0401     1.0171     0.9641     0.0530
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.897226
                0             6               4            6                0.909308
                0             6               5            1                0.954345
                0             6               6            1                0.949663
                1             6               2            6                0.909075
                1             6               7            1                0.939805
                1             6               8            1                0.951046
                2             6               3            6                0.914270
                2             6               9            1                0.958813
                2             6              10            1                0.947095
                3             6               4            6                0.935654
                3             6              11            1                0.959687
                3             6              12            1                0.949632
                4             6              13            1                0.950307
                4             6              14            1                0.950630
               15             6              16            6                0.908866
               15             6              19            6                0.917566
               15             6              20            1                0.943886
               15             6              21            1                0.946475
               16             6              17            6                0.909840
               16             6              22            1                0.950993
               16             6              23            1                0.952371
               17             6              18            6                0.913057
               17             6              24            1                0.953204
               17             6              25            1                0.954695
               18             6              19            6                0.903366
               18             6              26            1                0.946778
               18             6              27            1                0.952521
               19             6              28            1                0.940822
               19             6              29            1                0.957081
               30             6              31            6                0.911891
               30             6              34            6                0.926696
               30             6              35            1                0.944567
               30             6              36            1                0.950375
               31             6              32            6                0.900741
               31             6              37            1                0.958379
               31             6              38            1                0.946918
               32             6              33            6                0.895393
               32             6              39            1                0.949507
               32             6              40            1                0.952899
               33             6              34            6                0.899990
               33             6              41            1                0.949693
               33             6              42            1                0.942075
               34             6              43            1                0.958476
               34             6              44            1                0.944492
               45             6              46            6                0.884761
               45             6              49            6                0.894020
               45             6              50            1                0.957907
               45             6              51            1                0.948580
               46             6              47            6                0.898808
               46             6              52            1                0.947551
               46             6              53            1                0.954756
               47             6              48            6                0.921441
               47             6              54            1                0.949517
               47             6              55            1                0.957135
               48             6              49            6                0.906707
               48             6              56            1                0.949907
               48             6              57            1                0.952077
               49             6              58            1                0.953774
               49             6              59            1                0.948703
               60             6              61            6                0.918302
               60             6              64            6                0.891491
               60             6              65            1                0.960997
               60             6              66            1                0.943618
               61             6              62            6                0.904598
               61             6              67            1                0.935553
               61             6              68            1                0.959232
               62             6              63            6                0.910078
               62             6              69            1                0.948444
               62             6              70            1                0.954015
               63             6              64            6                0.898847
               63             6              71            1                0.949365
               63             6              72            1                0.952712
               64             6              73            1                0.945702
               64             6              74            1                0.963497
               75             6              76            6                0.910229
               75             6              79            6                0.886186
               75             6              80            1                0.944868
               75             6              81            1                0.949608
               76             6              77            6                0.909387
               76             6              82            1                0.953575
               76             6              83            1                0.958850
               77             6              78            6                0.916263
               77             6              84            1                0.953429
               77             6              85            1                0.953191
               78             6              79            6                0.881582
               78             6              86            1                0.958521
               78             6              87            1                0.959484
               79             6              88            1                0.953942
               79             6              89            1                0.963082
# -----------------------------------------------------------
$ 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     6.2122     6.0000    -0.2122     3.9752     3.6551     0.3201
  1   0     6.2318     6.0000    -0.2318     3.9890     3.6673     0.3217
  2   0     6.2395     6.0000    -0.2395     4.0040     3.6836     0.3204
  3   0     6.1959     6.0000    -0.1959     4.0170     3.7165     0.3005
  4   0     6.2074     6.0000    -0.2074     4.0109     3.7010     0.3099
  5   0     0.8947     1.0000     0.1053     0.9773     0.9256     0.0517
  6   0     0.8800     1.0000     0.1200     0.9783     0.9288     0.0495
  7   0     0.9218     1.0000     0.0782     0.9893     0.9317     0.0576
  8   0     0.8859     1.0000     0.1141     0.9825     0.9348     0.0477
  9   0     0.8933     1.0000     0.1067     0.9703     0.9173     0.0530
 10   0     0.8770     1.0000     0.1230     0.9721     0.9207     0.0514
 11   0     0.8899     1.0000     0.1101     0.9785     0.9304     0.0481
 12   0     0.8906     1.0000     0.1094     0.9775     0.9283     0.0492
 13   0     0.8977     1.0000     0.1023     0.9783     0.9265     0.0518
 14   0     0.8885     1.0000     0.1115     0.9770     0.9275     0.0495
 15   0     6.2262     6.0000    -0.2262     4.0105     3.6882     0.3223
 16   0     6.2283     6.0000    -0.2283     3.9729     3.6585     0.3144
 17   0     6.2159     6.0000    -0.2159     3.9872     3.6775     0.3097
 18   0     6.2216     6.0000    -0.2216     3.9916     3.6631     0.3285
 19   0     6.1789     6.0000    -0.1789     4.0002     3.6787     0.3215
 20   0     0.8906     1.0000     0.1094     0.9820     0.9303     0.0517
 21   0     0.8988     1.0000     0.1012     0.9824     0.9288     0.0536
 22   0     0.8862     1.0000     0.1138     0.9719     0.9216     0.0503
 23   0     0.8998     1.0000     0.1002     0.9785     0.9272     0.0513
 24   0     0.8899     1.0000     0.1101     0.9813     0.9322     0.0491
 25   0     0.8906     1.0000     0.1094     0.9769     0.9277     0.0492
 26   0     0.8878     1.0000     0.1122     0.9804     0.9303     0.0501
 27   0     0.9090     1.0000     0.0910     0.9901     0.9359     0.0542
 28   0     0.8757     1.0000     0.1243     0.9782     0.9288     0.0494
 29   0     0.9014     1.0000     0.0986     0.9975     0.9439     0.0536
 30   0     6.2186     6.0000    -0.2186     4.0004     3.6850     0.3154
 31   0     6.1959     6.0000    -0.1959     3.9574     3.6438     0.3136
 32   0     6.2477     6.0000    -0.2477     3.9683     3.6424     0.3259
 33   0     6.2438     6.0000    -0.2438     3.9785     3.6519     0.3266
 34   0     6.2004     6.0000    -0.2004     3.9937     3.6804     0.3133
 35   0     0.8960     1.0000     0.1040     0.9818     0.9295     0.0523
 36   0     0.8901     1.0000     0.1099     0.9786     0.9273     0.0513
 37   0     0.8980     1.0000     0.1020     0.9838     0.9334     0.0504
 38   0     0.8861     1.0000     0.1139     0.9752     0.9227     0.0525
 39   0     0.8872     1.0000     0.1128     0.9772     0.9282     0.0490
 40   0     0.8943     1.0000     0.1057     0.9884     0.9370     0.0514
 41   0     0.8947     1.0000     0.1053     0.9838     0.9326     0.0512
 42   0     0.8781     1.0000     0.1219     0.9730     0.9198     0.0532
 43   0     0.8899     1.0000     0.1101     0.9802     0.9327     0.0475
 44   0     0.8742     1.0000     0.1258     0.9748     0.9233     0.0515
 45   0     6.2047     6.0000    -0.2047     3.9372     3.6190     0.3182
 46   0     6.2765     6.0000    -0.2765     3.9679     3.6408     0.3271
 47   0     6.1775     6.0000    -0.1775     3.9811     3.6742     0.3069
 48   0     6.2192     6.0000    -0.2192     3.9853     3.6701     0.3152
 49   0     6.2379     6.0000    -0.2379     3.9891     3.6648     0.3243
 50   0     0.8848     1.0000     0.1152     0.9780     0.9294     0.0486
 51   0     0.8880     1.0000     0.1120     0.9798     0.9259     0.0539
 52   0     0.9038     1.0000     0.0962     0.9757     0.9165     0.0592
 53   0     0.8729     1.0000     0.1271     0.9819     0.9352     0.0467
 54   0     0.8819     1.0000     0.1181     0.9766     0.9284     0.0482
 55   0     0.8974     1.0000     0.1026     0.9862     0.9369     0.0493
 56   0     0.8876     1.0000     0.1124     0.9799     0.9284     0.0515
 57   0     0.8881     1.0000     0.1119     0.9757     0.9263     0.0494
 58   0     0.8883     1.0000     0.1117     0.9781     0.9260     0.0521
 59   0     0.8832     1.0000     0.1168     0.9763     0.9250     0.0513
 60   0     6.2465     6.0000    -0.2465     3.9990     3.6843     0.3147
 61   0     6.1838     6.0000    -0.1838     3.9850     3.6709     0.3141
 62   0     6.2347     6.0000    -0.2347     3.9873     3.6701     0.3172
 63   0     6.2315     6.0000    -0.2315     3.9851     3.6699     0.3152
 64   0     6.2133     6.0000    -0.2133     3.9384     3.6257     0.3127
 65   0     0.8907     1.0000     0.1093     0.9751     0.9253     0.0498
 66   0     0.8860     1.0000     0.1140     0.9839     0.9320     0.0519
 67   0     0.8815     1.0000     0.1185     0.9794     0.9268     0.0526
 68   0     0.8960     1.0000     0.1040     0.9834     0.9341     0.0493
 69   0     0.8900     1.0000     0.1100     0.9768     0.9262     0.0506
 70   0     0.8902     1.0000     0.1098     0.9761     0.9250     0.0511
 71   0     0.8909     1.0000     0.1091     0.9794     0.9285     0.0509
 72   0     0.8889     1.0000     0.1111     0.9724     0.9196     0.0528
 73   0     0.8773     1.0000     0.1227     0.9763     0.9274     0.0489
 74   0     0.8992     1.0000     0.1008     0.9714     0.9181     0.0533
 75   0     6.2228     6.0000    -0.2228     3.9780     3.6531     0.3249
 76   0     6.2368     6.0000    -0.2368     3.9916     3.6794     0.3122
 77   0     6.1804     6.0000    -0.1804     4.0028     3.6967     0.3061
 78   0     6.2130     6.0000    -0.2130     3.9929     3.6790     0.3139
 79   0     6.2062     6.0000    -0.2062     3.9514     3.6347     0.3167
 80   0     0.8818     1.0000     0.1182     0.9740     0.9214     0.0526
 81   0     0.8958     1.0000     0.1042     0.9757     0.9208     0.0549
 82   0     0.8760     1.0000     0.1240     0.9749     0.9265     0.0484
 83   0     0.9005     1.0000     0.0995     0.9725     0.9195     0.0530
 84   0     0.8964     1.0000     0.1036     0.9790     0.9286     0.0504
 85   0     0.8846     1.0000     0.1154     0.9782     0.9298     0.0484
 86   0     0.8985     1.0000     0.1015     0.9993     0.9482     0.0511
 87   0     0.8955     1.0000     0.1045     0.9838     0.9319     0.0519
 88   0     0.8951     1.0000     0.1049     0.9806     0.9305     0.0501
 89   0     0.9226     1.0000     0.0774     1.0048     0.9532     0.0516
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.904838
                0             6               4            6                0.920915
                0             6               5            1                0.939672
                0             6               6            1                0.936970
                1             6               2            6                0.920174
                1             6               7            1                0.923108
                1             6               8            1                0.940408
                2             6               3            6                0.923399
                2             6               9            1                0.945835
                2             6              10            1                0.931504
                3             6               4            6                0.941885
                3             6              11            1                0.949047
                3             6              12            1                0.934140
                4             6              13            1                0.936605
                4             6              14            1                0.937548
               15             6              16            6                0.910653
               15             6              19            6                0.930977
               15             6              20            1                0.934468
               15             6              21            1                0.932463
               16             6              17            6                0.918552
               16             6              22            1                0.937288
               16             6              23            1                0.939073
               17             6              18            6                0.914322
               17             6              24            1                0.939399
               17             6              25            1                0.944253
               18             6              19            6                0.909400
               18             6              26            1                0.933512
               18             6              27            1                0.938929
               19             6              28            1                0.929372
               19             6              29            1                0.942430
               30             6              31            6                0.917590
               30             6              34            6                0.931155
               30             6              35            1                0.929619
               30             6              36            1                0.938931
               31             6              32            6                0.906404
               31             6              37            1                0.947960
               31             6              38            1                0.930435
               32             6              33            6                0.896547
               32             6              39            1                0.939039
               32             6              40            1                0.942847
               33             6              34            6                0.914360
               33             6              41            1                0.936419
               33             6              42            1                0.926859
               34             6              43            1                0.946757
               34             6              44            1                0.929120
               45             6              46            6                0.891470
               45             6              49            6                0.906010
               45             6              50            1                0.946907
               45             6              51            1                0.931554
               46             6              47            6                0.904356
               46             6              52            1                0.929282
               46             6              53            1                0.944500
               47             6              48            6                0.927111
               47             6              54            1                0.939286
               47             6              55            1                0.944735
               48             6              49            6                0.910306
               48             6              56            1                0.935788
               48             6              57            1                0.939972
               49             6              58            1                0.940481
               49             6              59            1                0.933453
               60             6              61            6                0.925411
               60             6              64            6                0.898079
               60             6              65            1                0.950216
               60             6              66            1                0.930893
               61             6              62            6                0.913992
               61             6              67            1                0.923506
               61             6              68            1                0.948090
               62             6              63            6                0.917426
               62             6              69            1                0.936416
               62             6              70            1                0.940598
               63             6              64            6                0.906189
               63             6              71            1                0.935786
               63             6              72            1                0.940448
               64             6              73            1                0.933678
               64             6              74            1                0.951823
               75             6              76            6                0.921881
               75             6              79            6                0.894991
               75             6              80            1                0.932082
               75             6              81            1                0.932471
               76             6              77            6                0.916992
               76             6              82            1                0.940928
               76             6              83            1                0.943107
               77             6              78            6                0.924842
               77             6              84            1                0.938680
               77             6              85            1                0.942884
               78             6              79            6                0.889550
               78             6              86            1                0.945584
               78             6              87            1                0.943490
               79             6              88            1                0.942936
               79             6              89            1                0.951905
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1972828129
        Correlation Energy:       -5.0644462751
        Total MP2 Energy:      -1176.2617290879
# -----------------------------------------------------------
$ 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) :        0.2892145238
        Electronic Contribution:
                  0    
      0      -0.263159
      1       0.234178
      2      -0.051459
        Nuclear Contribution:
                  0    
      0       0.361503
      1      -0.184768
      2       0.080334
        Total Dipole moment:
                  0    
      0       0.098344
      1       0.049410
      2       0.028875
# -----------------------------------------------------------
$ 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) :        0.2863573074
        Electronic Contribution:
                  0    
      0      -0.262467
      1       0.231278
      2      -0.053483
        Nuclear Contribution:
                  0    
      0       0.361503
      1      -0.184768
      2       0.080334
        Total Dipole moment:
                  0    
      0       0.099035
      1       0.046510
      2       0.026851
# -----------------------------------------------------------
$ 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) :        0.2312933499
        Electronic Contribution:
                  0    
      0      -0.271255
      1       0.195320
      2      -0.075404
        Nuclear Contribution:
                  0    
      0       0.361503
      1      -0.184768
      2       0.080334
        Total Dipole moment:
                  0    
      0       0.090248
      1       0.010552
      2       0.004930
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     23.970000000000   22.530000000000   19.110000000000
               1 C     23.990000000000   22.600000000000   20.690000000000
               2 C     24.050000000000   21.100000000000   21.040000000000
               3 C     23.520000000000   20.260000000000   19.930000000000
               4 C     23.420000000000   21.120000000000   18.740000000000
               5 H     25.010000000000   22.610000000000   18.800000000000
               6 H     23.470000000000   23.340000000000   18.600000000000
               7 H     23.050000000000   23.110000000000   21.130000000000
               8 H     24.770000000000   23.100000000000   21.150000000000
               9 H     23.330000000000   20.950000000000   21.840000000000
              10 H     24.970000000000   20.710000000000   21.530000000000
              11 H     22.590000000000   19.870000000000   20.220000000000
              12 H     24.160000000000   19.420000000000   19.720000000000
              13 H     22.410000000000   21.360000000000   18.390000000000
              14 H     23.950000000000   20.700000000000   17.900000000000
              15 C     20.310000000000   21.210000000000   23.570000000000
              16 C     20.000000000000   20.340000000000   22.320000000000
              17 C     18.560000000000   20.440000000000   21.980000000000
              18 C     17.830000000000   20.790000000000   23.330000000000
              19 C     18.950000000000   21.510000000000   24.250000000000
              20 H     20.890000000000   22.090000000000   23.260000000000
              21 H     20.920000000000   20.550000000000   24.250000000000
              22 H     20.370000000000   19.330000000000   22.490000000000
              23 H     20.530000000000   20.700000000000   21.450000000000
              24 H     18.120000000000   19.550000000000   21.610000000000
              25 H     18.410000000000   21.140000000000   21.200000000000
              26 H     17.440000000000   19.850000000000   23.690000000000
              27 H     17.000000000000   21.520000000000   23.130000000000
              28 H     18.920000000000   21.210000000000   25.300000000000
              29 H     18.670000000000   22.570000000000   24.100000000000
              30 C     25.180000000000   26.100000000000   23.010000000000
              31 C     24.400000000000   25.270000000000   23.940000000000
              32 C     22.920000000000   25.270000000000   23.460000000000
              33 C     22.900000000000   25.830000000000   21.970000000000
              34 C     24.340000000000   26.200000000000   21.700000000000
              35 H     26.120000000000   25.550000000000   22.800000000000
              36 H     25.350000000000   27.030000000000   23.590000000000
              37 H     24.520000000000   25.810000000000   24.860000000000
              38 H     24.730000000000   24.190000000000   24.010000000000
              39 H     22.330000000000   25.900000000000   24.080000000000
              40 H     22.560000000000   24.250000000000   23.490000000000
              41 H     22.210000000000   26.680000000000   22.020000000000
              42 H     22.450000000000   25.030000000000   21.290000000000
              43 H     24.390000000000   27.190000000000   21.410000000000
              44 H     24.800000000000   25.620000000000   20.860000000000
              45 C     17.900000000000   25.800000000000   23.920000000000
              46 C     19.010000000000   25.650000000000   22.850000000000
              47 C     18.810000000000   26.780000000000   21.840000000000
              48 C     17.820000000000   27.750000000000   22.410000000000
              49 C     17.110000000000   27.090000000000   23.650000000000
              50 H     18.360000000000   25.850000000000   24.870000000000
              51 H     17.260000000000   24.870000000000   23.950000000000
              52 H     18.860000000000   24.660000000000   22.210000000000
              53 H     19.980000000000   25.550000000000   23.240000000000
              54 H     18.450000000000   26.440000000000   20.900000000000
              55 H     19.740000000000   27.280000000000   21.760000000000
              56 H     17.090000000000   28.080000000000   21.640000000000
              57 H     18.350000000000   28.610000000000   22.770000000000
              58 H     16.050000000000   26.810000000000   23.510000000000
              59 H     17.130000000000   27.720000000000   24.570000000000
              60 C     24.720000000000   20.350000000000   25.510000000000
              61 C     23.780000000000   19.940000000000   26.660000000000
              62 C     23.960000000000   18.410000000000   26.900000000000
              63 C     25.240000000000   17.990000000000   26.150000000000
              64 C     25.560000000000   19.120000000000   25.190000000000
              65 H     25.450000000000   21.070000000000   25.820000000000
              66 H     24.220000000000   20.770000000000   24.620000000000
              67 H     22.700000000000   20.230000000000   26.440000000000
              68 H     24.220000000000   20.370000000000   27.520000000000
              69 H     23.120000000000   17.800000000000   26.590000000000
              70 H     24.010000000000   18.200000000000   27.970000000000
              71 H     25.060000000000   17.040000000000   25.650000000000
              72 H     26.130000000000   17.800000000000   26.820000000000
              73 H     25.680000000000   18.920000000000   24.150000000000
              74 H     26.590000000000   19.340000000000   25.490000000000
              75 C     14.780000000000   24.800000000000   20.010000000000
              76 C     13.420000000000   24.210000000000   20.370000000000
              77 C     13.390000000000   23.750000000000   21.810000000000
              78 C     14.750000000000   24.050000000000   22.420000000000
              79 C     15.630000000000   24.710000000000   21.330000000000
              80 H     14.770000000000   25.850000000000   19.580000000000
              81 H     15.160000000000   24.110000000000   19.180000000000
              82 H     12.940000000000   23.580000000000   19.660000000000
              83 H     12.700000000000   25.020000000000   20.370000000000
              84 H     13.270000000000   22.680000000000   21.810000000000
              85 H     12.590000000000   24.190000000000   22.370000000000
              86 H     15.350000000000   23.230000000000   22.770000000000
              87 H     14.750000000000   24.870000000000   23.130000000000
              88 H     16.510000000000   24.160000000000   21.140000000000
              89 H     15.960000000000   25.680000000000   21.550000000000
