-------------------------------------------------------------
----------------------- !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:    -1171.2106833165
# -----------------------------------------------------------
$ 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     6.1353     6.0000    -0.1353     3.8953     3.8953     0.0000
  1   0     6.1686     6.0000    -0.1686     3.9329     3.9329    -0.0000
  2   0     6.1036     6.0000    -0.1036     3.8732     3.8732    -0.0000
  3   0     6.1856     6.0000    -0.1856     3.8989     3.8989     0.0000
  4   0     6.1752     6.0000    -0.1752     3.8857     3.8857     0.0000
  5   0     0.9139     1.0000     0.0861     0.9772     0.9772    -0.0000
  6   0     0.9570     1.0000     0.0430     1.0080     1.0080    -0.0000
  7   0     0.9180     1.0000     0.0820     0.9792     0.9792     0.0000
  8   0     0.9165     1.0000     0.0835     0.9741     0.9741     0.0000
  9   0     0.9236     1.0000     0.0764     0.9737     0.9737    -0.0000
 10   0     0.9420     1.0000     0.0580     0.9814     0.9814    -0.0000
 11   0     0.9118     1.0000     0.0882     0.9676     0.9676     0.0000
 12   0     0.9187     1.0000     0.0813     0.9698     0.9698     0.0000
 13   0     0.9189     1.0000     0.0811     0.9695     0.9695     0.0000
 14   0     0.9016     1.0000     0.0984     0.9696     0.9696     0.0000
 15   0     6.1788     6.0000    -0.1788     3.8995     3.8995    -0.0000
 16   0     6.1610     6.0000    -0.1610     3.9027     3.9027    -0.0000
 17   0     6.1583     6.0000    -0.1583     3.9010     3.9010     0.0000
 18   0     6.0966     6.0000    -0.0966     3.8587     3.8587     0.0000
 19   0     6.1776     6.0000    -0.1776     3.8902     3.8902    -0.0000
 20   0     0.9080     1.0000     0.0920     0.9719     0.9719    -0.0000
 21   0     0.9164     1.0000     0.0836     0.9751     0.9751    -0.0000
 22   0     0.9054     1.0000     0.0946     0.9698     0.9698    -0.0000
 23   0     0.9190     1.0000     0.0810     0.9760     0.9760    -0.0000
 24   0     0.9236     1.0000     0.0764     0.9787     0.9787     0.0000
 25   0     0.9366     1.0000     0.0634     0.9801     0.9801     0.0000
 26   0     0.9150     1.0000     0.0850     0.9755     0.9755     0.0000
 27   0     0.9726     1.0000     0.0274     1.0162     1.0162     0.0000
 28   0     0.9225     1.0000     0.0775     0.9714     0.9714    -0.0000
 29   0     0.9173     1.0000     0.0827     0.9721     0.9721    -0.0000
 30   0     6.1861     6.0000    -0.1861     3.9243     3.9243    -0.0000
 31   0     6.1396     6.0000    -0.1396     3.8635     3.8635     0.0000
 32   0     6.1687     6.0000    -0.1687     3.9162     3.9162     0.0000
 33   0     6.1325     6.0000    -0.1325     3.8847     3.8847     0.0000
 34   0     6.1758     6.0000    -0.1758     3.8984     3.8984     0.0000
 35   0     0.9215     1.0000     0.0785     0.9760     0.9760    -0.0000
 36   0     0.8970     1.0000     0.1030     0.9681     0.9681    -0.0000
 37   0     0.9182     1.0000     0.0818     0.9804     0.9804     0.0000
 38   0     0.9247     1.0000     0.0753     0.9748     0.9748    -0.0000
 39   0     0.9187     1.0000     0.0813     0.9801     0.9801     0.0000
 40   0     0.9184     1.0000     0.0816     0.9745     0.9745     0.0000
 41   0     0.9117     1.0000     0.0883     0.9743     0.9743     0.0000
 42   0     0.9488     1.0000     0.0512     0.9904     0.9904     0.0000
 43   0     0.9168     1.0000     0.0832     0.9819     0.9819     0.0000
 44   0     0.9213     1.0000     0.0787     0.9700     0.9700     0.0000
 45   0     6.1840     6.0000    -0.1840     3.8767     3.8767    -0.0000
 46   0     6.1735     6.0000    -0.1735     3.8858     3.8858    -0.0000
 47   0     6.1321     6.0000    -0.1321     3.8737     3.8737     0.0000
 48   0     6.1903     6.0000    -0.1903     3.8855     3.8855     0.0000
 49   0     6.1390     6.0000    -0.1390     3.8952     3.8952    -0.0000
 50   0     0.9125     1.0000     0.0875     0.9729     0.9729     0.0000
 51   0     0.9150     1.0000     0.0850     0.9720     0.9720    -0.0000
 52   0     0.9293     1.0000     0.0707     0.9799     0.9799    -0.0000
 53   0     0.9117     1.0000     0.0883     0.9733     0.9733    -0.0000
 54   0     0.9236     1.0000     0.0764     0.9756     0.9756     0.0000
 55   0     0.9149     1.0000     0.0851     0.9744     0.9744     0.0000
 56   0     0.9270     1.0000     0.0730     0.9863     0.9863     0.0000
 57   0     0.9198     1.0000     0.0802     0.9755     0.9755     0.0000
 58   0     0.9198     1.0000     0.0802     0.9776     0.9776     0.0000
 59   0     0.9091     1.0000     0.0909     0.9766     0.9766     0.0000
 60   0     6.1766     6.0000    -0.1766     3.8967     3.8967     0.0000
 61   0     6.1253     6.0000    -0.1253     3.8833     3.8833    -0.0000
 62   0     6.1605     6.0000    -0.1605     3.8981     3.8981    -0.0000
 63   0     6.1777     6.0000    -0.1777     3.9380     3.9380    -0.0000
 64   0     6.1337     6.0000    -0.1337     3.9205     3.9205    -0.0000
 65   0     0.9246     1.0000     0.0754     0.9828     0.9828     0.0000
 66   0     0.9259     1.0000     0.0741     0.9736     0.9736     0.0000
 67   0     0.9460     1.0000     0.0540     0.9819     0.9819    -0.0000
 68   0     0.9352     1.0000     0.0648     0.9852     0.9852     0.0000
 69   0     0.9180     1.0000     0.0820     0.9734     0.9734    -0.0000
 70   0     0.9090     1.0000     0.0910     0.9795     0.9795    -0.0000
 71   0     0.9203     1.0000     0.0797     0.9756     0.9756    -0.0000
 72   0     0.9104     1.0000     0.0896     0.9740     0.9740    -0.0000
 73   0     0.9155     1.0000     0.0845     0.9740     0.9740     0.0000
 74   0     0.9215     1.0000     0.0785     0.9797     0.9797     0.0000
 75   0     6.1391     6.0000    -0.1391     3.9099     3.9099     0.0000
 76   0     6.1693     6.0000    -0.1693     3.8609     3.8609     0.0000
 77   0     6.1432     6.0000    -0.1432     3.8925     3.8925     0.0000
 78   0     6.1613     6.0000    -0.1613     3.8805     3.8805     0.0000
 79   0     6.1807     6.0000    -0.1807     3.8882     3.8882    -0.0000
 80   0     0.9281     1.0000     0.0719     0.9804     0.9804     0.0000
 81   0     0.9109     1.0000     0.0891     0.9732     0.9732     0.0000
 82   0     0.9356     1.0000     0.0644     0.9772     0.9772     0.0000
 83   0     0.8960     1.0000     0.1040     0.9735     0.9735     0.0000
 84   0     0.9183     1.0000     0.0817     0.9760     0.9760     0.0000
 85   0     0.9225     1.0000     0.0775     0.9890     0.9890     0.0000
 86   0     0.9192     1.0000     0.0808     0.9769     0.9769     0.0000
 87   0     0.9278     1.0000     0.0722     0.9783     0.9783    -0.0000
 88   0     0.9226     1.0000     0.0774     0.9808     0.9808    -0.0000
 89   0     0.9249     1.0000     0.0751     0.9727     0.9727    -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                0.987415
                0             6               4            6                0.970084
                0             6               5            1                0.986121
                0             6               6            1                0.996639
                1             6               2            6                0.969877
                1             6               7            1                0.993897
                1             6               8            1                0.998066
                2             6               3            6                0.971991
                2             6               9            1                0.991858
                2             6              10            1                1.001152
                3             6               4            6                0.962348
                3             6              11            1                0.999238
                3             6              12            1                0.981657
                4             6              13            1                0.999700
                4             6              14            1                0.995673
               15             6              16            6                0.979276
               15             6              19            6                0.968702
               15             6              20            1                0.988332
               15             6              21            1                0.992829
               16             6              17            6                0.970576
               16             6              22            1                0.986503
               16             6              23            1                0.988615
               17             6              18            6                0.963948
               17             6              24            1                0.993928
               17             6              25            1                1.000746
               18             6              19            6                0.962826
               18             6              26            1                0.988517
               18             6              27            1                0.998325
               19             6              28            1                0.992646
               19             6              29            1                0.991664
               30             6              31            6                0.971077
               30             6              34            6                0.988927
               30             6              35            1                0.997223
               30             6              36            1                0.978952
               31             6              32            6                0.965149
               31             6              37            1                0.995831
               31             6              38            1                0.986022
               32             6              33            6                0.978288
               32             6              39            1                0.997967
               32             6              40            1                0.987780
               33             6              34            6                0.964193
               33             6              41            1                0.995670
               33             6              42            1                0.996861
               34             6              43            1                0.990237
               34             6              44            1                0.988749
               45             6              46            6                0.956956
               45             6              49            6                0.974703
               45             6              50            1                0.990192
               45             6              51            1                0.990286
               46             6              47            6                0.963469
               46             6              52            1                0.997655
               46             6              53            1                0.989910
               47             6              48            6                0.961940
               47             6              54            1                0.993537
               47             6              55            1                0.992682
               48             6              49            6                0.967221
               48             6              56            1                0.994555
               48             6              57            1                0.993118
               49             6              58            1                0.992387
               49             6              59            1                0.986751
               60             6              61            6                0.972249
               60             6              64            6                0.978747
               60             6              65            1                0.992069
               60             6              66            1                0.997401
               61             6              62            6                0.966640
               61             6              67            1                0.981630
               61             6              68            1                0.988422
               62             6              63            6                0.978628
               62             6              69            1                0.993672
               62             6              70            1                0.989041
               63             6              64            6                0.994131
               63             6              71            1                0.994433
               63             6              72            1                0.993463
               64             6              73            1                0.985045
               64             6              74            1                0.992316
               75             6              76            6                0.978973
               75             6              79            6                0.983251
               75             6              80            1                0.984532
               75             6              81            1                0.988878
               76             6              77            6                0.954979
               76             6              82            1                0.991807
               76             6              83            1                0.978029
               77             6              78            6                0.977072
               77             6              84            1                0.993389
               77             6              85            1                0.995518
               78             6              79            6                0.954509
               78             6              86            1                0.991853
               78             6              87            1                0.994970
               79             6              88            1                0.996805
               79             6              89            1                0.987902
# -----------------------------------------------------------
$ 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     6.1419     6.0000    -0.1419     4.0011     3.6801     0.3210
  1   0     6.1767     6.0000    -0.1767     4.0402     3.7287     0.3115
  2   0     6.1117     6.0000    -0.1117     3.9800     3.6645     0.3155
  3   0     6.1960     6.0000    -0.1960     4.0156     3.6887     0.3269
  4   0     6.1840     6.0000    -0.1840     3.9997     3.6709     0.3288
  5   0     0.9100     1.0000     0.0900     0.9865     0.9332     0.0533
  6   0     0.9531     1.0000     0.0469     1.0186     0.9656     0.0530
  7   0     0.9140     1.0000     0.0860     0.9883     0.9378     0.0505
  8   0     0.9125     1.0000     0.0875     0.9832     0.9329     0.0503
  9   0     0.9196     1.0000     0.0804     0.9835     0.9283     0.0552
 10   0     0.9374     1.0000     0.0626     0.9910     0.9377     0.0533
 11   0     0.9075     1.0000     0.0925     0.9763     0.9254     0.0509
 12   0     0.9143     1.0000     0.0857     0.9788     0.9260     0.0528
 13   0     0.9148     1.0000     0.0852     0.9790     0.9252     0.0538
 14   0     0.8972     1.0000     0.1028     0.9780     0.9264     0.0516
 15   0     6.1866     6.0000    -0.1866     4.0102     3.6860     0.3242
 16   0     6.1685     6.0000    -0.1685     4.0114     3.6887     0.3227
 17   0     6.1658     6.0000    -0.1658     4.0095     3.6925     0.3170
 18   0     6.1038     6.0000    -0.1038     3.9631     3.6419     0.3212
 19   0     6.1854     6.0000    -0.1854     3.9993     3.6776     0.3217
 20   0     0.9042     1.0000     0.0958     0.9811     0.9288     0.0523
 21   0     0.9125     1.0000     0.0875     0.9846     0.9317     0.0529
 22   0     0.9015     1.0000     0.0985     0.9788     0.9260     0.0528
 23   0     0.9153     1.0000     0.0847     0.9855     0.9305     0.0550
 24   0     0.9195     1.0000     0.0805     0.9881     0.9365     0.0516
 25   0     0.9333     1.0000     0.0667     0.9910     0.9381     0.0529
 26   0     0.9111     1.0000     0.0889     0.9848     0.9325     0.0523
 27   0     0.9695     1.0000     0.0305     1.0280     0.9703     0.0577
 28   0     0.9186     1.0000     0.0814     0.9812     0.9271     0.0541
 29   0     0.9134     1.0000     0.0866     0.9814     0.9288     0.0526
 30   0     6.1943     6.0000    -0.1943     4.0365     3.7082     0.3283
 31   0     6.1467     6.0000    -0.1467     3.9723     3.6526     0.3197
 32   0     6.1767     6.0000    -0.1767     4.0246     3.7008     0.3238
 33   0     6.1410     6.0000    -0.1410     3.9945     3.6684     0.3261
 34   0     6.1827     6.0000    -0.1827     4.0069     3.6847     0.3222
 35   0     0.9176     1.0000     0.0824     0.9855     0.9305     0.0550
 36   0     0.8930     1.0000     0.1070     0.9767     0.9257     0.0510
 37   0     0.9141     1.0000     0.0859     0.9899     0.9388     0.0511
 38   0     0.9207     1.0000     0.0793     0.9848     0.9322     0.0526
 39   0     0.9148     1.0000     0.0852     0.9894     0.9389     0.0505
 40   0     0.9146     1.0000     0.0854     0.9841     0.9306     0.0535
 41   0     0.9078     1.0000     0.0922     0.9833     0.9309     0.0524
 42   0     0.9452     1.0000     0.0548     1.0012     0.9435     0.0577
 43   0     0.9129     1.0000     0.0871     0.9912     0.9387     0.0525
 44   0     0.9175     1.0000     0.0825     0.9800     0.9257     0.0543
 45   0     6.1914     6.0000    -0.1914     3.9888     3.6591     0.3297
 46   0     6.1817     6.0000    -0.1817     3.9977     3.6715     0.3262
 47   0     6.1396     6.0000    -0.1396     3.9810     3.6642     0.3168
 48   0     6.1977     6.0000    -0.1977     3.9976     3.6663     0.3313
 49   0     6.1464     6.0000    -0.1464     4.0018     3.6818     0.3200
 50   0     0.9087     1.0000     0.0913     0.9824     0.9274     0.0550
 51   0     0.9113     1.0000     0.0887     0.9816     0.9268     0.0548
 52   0     0.9255     1.0000     0.0745     0.9896     0.9355     0.0541
 53   0     0.9077     1.0000     0.0923     0.9823     0.9301     0.0522
 54   0     0.9200     1.0000     0.0800     0.9859     0.9349     0.0510
 55   0     0.9109     1.0000     0.0891     0.9838     0.9332     0.0506
 56   0     0.9234     1.0000     0.0766     0.9964     0.9426     0.0538
 57   0     0.9160     1.0000     0.0840     0.9851     0.9304     0.0547
 58   0     0.9161     1.0000     0.0839     0.9870     0.9345     0.0525
 59   0     0.9054     1.0000     0.0946     0.9858     0.9359     0.0499
 60   0     6.1842     6.0000    -0.1842     4.0058     3.6865     0.3193
 61   0     6.1330     6.0000    -0.1330     3.9935     3.6638     0.3297
 62   0     6.1684     6.0000    -0.1684     4.0082     3.6865     0.3217
 63   0     6.1856     6.0000    -0.1856     4.0464     3.7266     0.3198
 64   0     6.1419     6.0000    -0.1419     4.0267     3.7081     0.3186
 65   0     0.9207     1.0000     0.0793     0.9926     0.9389     0.0537
 66   0     0.9219     1.0000     0.0781     0.9832     0.9320     0.0512
 67   0     0.9415     1.0000     0.0585     0.9923     0.9380     0.0543
 68   0     0.9312     1.0000     0.0688     0.9953     0.9429     0.0524
 69   0     0.9140     1.0000     0.0860     0.9827     0.9302     0.0525
 70   0     0.9049     1.0000     0.0951     0.9884     0.9380     0.0504
 71   0     0.9165     1.0000     0.0835     0.9851     0.9331     0.0520
 72   0     0.9066     1.0000     0.0934     0.9832     0.9318     0.0514
 73   0     0.9115     1.0000     0.0885     0.9831     0.9285     0.0546
 74   0     0.9175     1.0000     0.0825     0.9889     0.9386     0.0503
 75   0     6.1468     6.0000    -0.1468     4.0162     3.7007     0.3155
 76   0     6.1770     6.0000    -0.1770     3.9723     3.6473     0.3250
 77   0     6.1510     6.0000    -0.1510     4.0001     3.6894     0.3107
 78   0     6.1689     6.0000    -0.1689     3.9879     3.6715     0.3164
 79   0     6.1889     6.0000    -0.1889     3.9979     3.6743     0.3236
 80   0     0.9242     1.0000     0.0758     0.9900     0.9359     0.0541
 81   0     0.9070     1.0000     0.0930     0.9823     0.9327     0.0496
 82   0     0.9315     1.0000     0.0685     0.9870     0.9321     0.0549
 83   0     0.8923     1.0000     0.1077     0.9823     0.9285     0.0538
 84   0     0.9141     1.0000     0.0859     0.9851     0.9343     0.0508
 85   0     0.9188     1.0000     0.0812     0.9986     0.9482     0.0504
 86   0     0.9155     1.0000     0.0845     0.9865     0.9322     0.0543
 87   0     0.9239     1.0000     0.0761     0.9879     0.9365     0.0514
 88   0     0.9186     1.0000     0.0814     0.9901     0.9396     0.0505
 89   0     0.9210     1.0000     0.0790     0.9824     0.9266     0.0558
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.924863
                0             6               4            6                0.904430
                0             6               5            1                0.943277
                0             6               6            1                0.955480
                1             6               2            6                0.911655
                1             6               7            1                0.953951
                1             6               8            1                0.957969
                2             6               3            6                0.911011
                2             6               9            1                0.947467
                2             6              10            1                0.958479
                3             6               4            6                0.900875
                3             6              11            1                0.957899
                3             6              12            1                0.938893
                4             6              13            1                0.956137
                4             6              14            1                0.953386
               15             6              16            6                0.914732
               15             6              19            6                0.907261
               15             6              20            1                0.946613
               15             6              21            1                0.950635
               16             6              17            6                0.911455
               16             6              22            1                0.944240
               16             6              23            1                0.944563
               17             6              18            6                0.899827
               17             6              24            1                0.952986
               17             6              25            1                0.959775
               18             6              19            6                0.899536
               18             6              26            1                0.946601
               18             6              27            1                0.953815
               19             6              28            1                0.949617
               19             6              29            1                0.949641
               30             6              31            6                0.908523
               30             6              34            6                0.924825
               30             6              35            1                0.952702
               30             6              36            1                0.938113
               31             6              32            6                0.901272
               31             6              37            1                0.955240
               31             6              38            1                0.944753
               32             6              33            6                0.913109
               32             6              39            1                0.957939
               32             6              40            1                0.945174
               33             6              34            6                0.903081
               33             6              41            1                0.953569
               33             6              42            1                0.951334
               34             6              43            1                0.948450
               34             6              44            1                0.945523
               45             6              46            6                0.893822
               45             6              49            6                0.911416
               45             6              50            1                0.946113
               45             6              51            1                0.946307
               46             6              47            6                0.901285
               46             6              52            1                0.954472
               46             6              53            1                0.948136
               47             6              48            6                0.897347
               47             6              54            1                0.953955
               47             6              55            1                0.952666
               48             6              49            6                0.902018
               48             6              56            1                0.952188
               48             6              57            1                0.949178
               49             6              58            1                0.950463
               49             6              59            1                0.947517
               60             6              61            6                0.907175
               60             6              64            6                0.918922
               60             6              65            1                0.949697
               60             6              66            1                0.956830
               61             6              62            6                0.901090
               61             6              67            1                0.938845
               61             6              68            1                0.947050
               62             6              63            6                0.918178
               62             6              69            1                0.951440
               62             6              70            1                0.949017
               63             6              64            6                0.928847
               63             6              71            1                0.953014
               63             6              72            1                0.952672
               64             6              73            1                0.941040
               64             6              74            1                0.952479
               75             6              76            6                0.917836
               75             6              79            6                0.920883
               75             6              80            1                0.941651
               75             6              81            1                0.949812
               76             6              77            6                0.894041
               76             6              82            1                0.947972
               76             6              83            1                0.934528
               77             6              78            6                0.918680
               77             6              84            1                0.952982
               77             6              85            1                0.956072
               78             6              79            6                0.890798
               78             6              86            1                0.948703
               78             6              87            1                0.954477
               79             6              88            1                0.956969
               79             6              89            1                0.943226
# -----------------------------------------------------------
$ 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     6.1980     6.0000    -0.1980     3.9849     3.6681     0.3168
  1   0     6.2240     6.0000    -0.2240     4.0198     3.7127     0.3071
  2   0     6.1608     6.0000    -0.1608     3.9431     3.6322     0.3109
  3   0     6.2685     6.0000    -0.2685     4.0026     3.6801     0.3225
  4   0     6.2285     6.0000    -0.2285     3.9734     3.6493     0.3241
  5   0     0.8858     1.0000     0.1142     0.9797     0.9275     0.0522
  6   0     0.9208     1.0000     0.0792     1.0103     0.9587     0.0516
  7   0     0.8882     1.0000     0.1118     0.9817     0.9324     0.0493
  8   0     0.8857     1.0000     0.1143     0.9753     0.9261     0.0492
  9   0     0.8932     1.0000     0.1068     0.9834     0.9296     0.0538
 10   0     0.9108     1.0000     0.0892     0.9843     0.9323     0.0520
 11   0     0.8749     1.0000     0.1251     0.9672     0.9178     0.0494
 12   0     0.8897     1.0000     0.1103     0.9726     0.9209     0.0517
 13   0     0.8891     1.0000     0.1109     0.9761     0.9236     0.0525
 14   0     0.8747     1.0000     0.1253     0.9713     0.9209     0.0504
 15   0     6.2342     6.0000    -0.2342     3.9965     3.6765     0.3200
 16   0     6.2107     6.0000    -0.2107     3.9995     3.6813     0.3182
 17   0     6.2190     6.0000    -0.2190     3.9989     3.6861     0.3128
 18   0     6.1671     6.0000    -0.1671     3.9543     3.6370     0.3173
 19   0     6.2285     6.0000    -0.2285     3.9820     3.6647     0.3173
 20   0     0.8815     1.0000     0.1185     0.9752     0.9239     0.0513
 21   0     0.8889     1.0000     0.1111     0.9751     0.9233     0.0518
 22   0     0.8819     1.0000     0.1181     0.9722     0.9203     0.0519
 23   0     0.8912     1.0000     0.1088     0.9787     0.9248     0.0539
 24   0     0.8934     1.0000     0.1066     0.9772     0.9267     0.0505
 25   0     0.9070     1.0000     0.0930     0.9878     0.9362     0.0516
 26   0     0.8890     1.0000     0.1110     0.9765     0.9251     0.0514
 27   0     0.9303     1.0000     0.0697     1.0164     0.9602     0.0562
 28   0     0.8944     1.0000     0.1056     0.9733     0.9202     0.0531
 29   0     0.8892     1.0000     0.1108     0.9751     0.9236     0.0515
 30   0     6.2406     6.0000    -0.2406     4.0187     3.6950     0.3237
 31   0     6.2033     6.0000    -0.2033     3.9693     3.6540     0.3153
 32   0     6.2216     6.0000    -0.2216     3.9869     3.6673     0.3196
 33   0     6.1953     6.0000    -0.1953     3.9737     3.6519     0.3218
 34   0     6.2335     6.0000    -0.2335     3.9959     3.6781     0.3178
 35   0     0.8874     1.0000     0.1126     0.9760     0.9224     0.0536
 36   0     0.8739     1.0000     0.1261     0.9718     0.9217     0.0501
 37   0     0.8920     1.0000     0.1080     0.9846     0.9346     0.0500
 38   0     0.8949     1.0000     0.1051     0.9811     0.9298     0.0513
 39   0     0.8897     1.0000     0.1103     0.9816     0.9322     0.0494
 40   0     0.8902     1.0000     0.1098     0.9779     0.9256     0.0523
 41   0     0.8853     1.0000     0.1147     0.9759     0.9245     0.0514
 42   0     0.9117     1.0000     0.0883     0.9939     0.9377     0.0562
 43   0     0.8871     1.0000     0.1129     0.9812     0.9299     0.0513
 44   0     0.8928     1.0000     0.1072     0.9761     0.9230     0.0531
 45   0     6.2336     6.0000    -0.2336     3.9717     3.6464     0.3253
 46   0     6.2294     6.0000    -0.2294     3.9818     3.6599     0.3219
 47   0     6.1940     6.0000    -0.1940     3.9667     3.6539     0.3128
 48   0     6.2420     6.0000    -0.2420     3.9760     3.6490     0.3270
 49   0     6.2025     6.0000    -0.2025     3.9901     3.6739     0.3162
 50   0     0.8851     1.0000     0.1149     0.9741     0.9202     0.0539
 51   0     0.8869     1.0000     0.1131     0.9741     0.9204     0.0537
 52   0     0.8981     1.0000     0.1019     0.9841     0.9313     0.0528
 53   0     0.8859     1.0000     0.1141     0.9742     0.9230     0.0512
 54   0     0.8946     1.0000     0.1054     0.9823     0.9325     0.0498
 55   0     0.8882     1.0000     0.1118     0.9767     0.9271     0.0496
 56   0     0.8942     1.0000     0.1058     0.9901     0.9376     0.0525
 57   0     0.8915     1.0000     0.1085     0.9765     0.9228     0.0537
 58   0     0.8907     1.0000     0.1093     0.9793     0.9279     0.0514
 59   0     0.8830     1.0000     0.1170     0.9784     0.9294     0.0490
 60   0     6.2397     6.0000    -0.2397     3.9830     3.6680     0.3150
 61   0     6.1888     6.0000    -0.1888     3.9787     3.6534     0.3253
 62   0     6.2221     6.0000    -0.2221     4.0072     3.6898     0.3174
 63   0     6.2333     6.0000    -0.2333     4.0256     3.7099     0.3157
 64   0     6.1844     6.0000    -0.1844     4.0012     3.6870     0.3142
 65   0     0.8870     1.0000     0.1130     0.9826     0.9304     0.0522
 66   0     0.8944     1.0000     0.1056     0.9746     0.9246     0.0500
 67   0     0.9147     1.0000     0.0853     0.9887     0.9358     0.0529
 68   0     0.9082     1.0000     0.0918     0.9904     0.9392     0.0512
 69   0     0.8912     1.0000     0.1088     0.9759     0.9244     0.0515
 70   0     0.8811     1.0000     0.1189     0.9793     0.9300     0.0493
 71   0     0.8907     1.0000     0.1093     0.9756     0.9247     0.0509
 72   0     0.8827     1.0000     0.1173     0.9754     0.9251     0.0503
 73   0     0.8893     1.0000     0.1107     0.9767     0.9231     0.0536
 74   0     0.8951     1.0000     0.1049     0.9823     0.9329     0.0494
 75   0     6.1973     6.0000    -0.1973     3.9955     3.6842     0.3113
 76   0     6.2283     6.0000    -0.2283     3.9614     3.6410     0.3204
 77   0     6.2071     6.0000    -0.2071     3.9870     3.6804     0.3066
 78   0     6.2092     6.0000    -0.2092     3.9712     3.6595     0.3117
 79   0     6.2338     6.0000    -0.2338     3.9724     3.6531     0.3193
 80   0     0.8972     1.0000     0.1028     0.9814     0.9284     0.0530
 81   0     0.8859     1.0000     0.1141     0.9774     0.9287     0.0487
 82   0     0.9042     1.0000     0.0958     0.9779     0.9242     0.0537
 83   0     0.8696     1.0000     0.1304     0.9800     0.9274     0.0526
 84   0     0.8908     1.0000     0.1092     0.9774     0.9276     0.0498
 85   0     0.8917     1.0000     0.1083     0.9914     0.9423     0.0491
 86   0     0.8934     1.0000     0.1066     0.9790     0.9257     0.0533
 87   0     0.8996     1.0000     0.1004     0.9813     0.9310     0.0503
 88   0     0.8929     1.0000     0.1071     0.9819     0.9325     0.0494
 89   0     0.8976     1.0000     0.1024     0.9760     0.9212     0.0548
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.928467
                0             6               4            6                0.910711
                0             6               5            1                0.930799
                0             6               6            1                0.942173
                1             6               2            6                0.924386
                1             6               7            1                0.936793
                1             6               8            1                0.946429
                2             6               3            6                0.908880
                2             6               9            1                0.927953
                2             6              10            1                0.942513
                3             6               4            6                0.904598
                3             6              11            1                0.943841
                3             6              12            1                0.928295
                4             6              13            1                0.941912
                4             6              14            1                0.935788
               15             6              16            6                0.924824
               15             6              19            6                0.918045
               15             6              20            1                0.934190
               15             6              21            1                0.936044
               16             6              17            6                0.925998
               16             6              22            1                0.930449
               16             6              23            1                0.929233
               17             6              18            6                0.909545
               17             6              24            1                0.937126
               17             6              25            1                0.947689
               18             6              19            6                0.909130
               18             6              26            1                0.933617
               18             6              27            1                0.940515
               19             6              28            1                0.935237
               19             6              29            1                0.937241
               30             6              31            6                0.921925
               30             6              34            6                0.929197
               30             6              35            1                0.937443
               30             6              36            1                0.926146
               31             6              32            6                0.903201
               31             6              37            1                0.940750
               31             6              38            1                0.936001
               32             6              33            6                0.915723
               32             6              39            1                0.946100
               32             6              40            1                0.931345
               33             6              34            6                0.916822
               33             6              41            1                0.937235
               33             6              42            1                0.934711
               34             6              43            1                0.933283
               34             6              44            1                0.932319
               45             6              46            6                0.904511
               45             6              49            6                0.922056
               45             6              50            1                0.931559
               45             6              51            1                0.933417
               46             6              47            6                0.908121
               46             6              52            1                0.941577
               46             6              53            1                0.933141
               47             6              48            6                0.905127
               47             6              54            1                0.945355
               47             6              55            1                0.940373
               48             6              49            6                0.906330
               48             6              56            1                0.941377
               48             6              57            1                0.935126
               49             6              58            1                0.939648
               49             6              59            1                0.936232
               60             6              61            6                0.909892
               60             6              64            6                0.928472
               60             6              65            1                0.934884
               60             6              66            1                0.944821
               61             6              62            6                0.911073
               61             6              67            1                0.927254
               61             6              68            1                0.932901
               62             6              63            6                0.931844
               62             6              69            1                0.936271
               62             6              70            1                0.937098
               63             6              64            6                0.932035
               63             6              71            1                0.938658
               63             6              72            1                0.938270
               64             6              73            1                0.925784
               64             6              74            1                0.939998
               75             6              76            6                0.928841
               75             6              79            6                0.926565
               75             6              80            1                0.928124
               75             6              81            1                0.937689
               76             6              77            6                0.903784
               76             6              82            1                0.931954
               76             6              83            1                0.920658
               77             6              78            6                0.932933
               77             6              84            1                0.938190
               77             6              85            1                0.942842
               78             6              79            6                0.898300
               78             6              86            1                0.931110
               78             6              87            1                0.943267
               79             6              88            1                0.945888
               79             6              89            1                0.927284
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2106833165
        Correlation Energy:       -5.0731877129
        Total MP2 Energy:      -1176.2838710294
# -----------------------------------------------------------
$ 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) :        0.4672611705
        Electronic Contribution:
                  0    
      0       0.378375
      1      -0.484997
      2       0.625245
        Nuclear Contribution:
                  0    
      0      -0.482003
      1       0.498070
      2      -0.473970
        Total Dipole moment:
                  0    
      0      -0.103628
      1       0.013073
      2       0.151275
# -----------------------------------------------------------
$ 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) :        0.4690925697
        Electronic Contribution:
                  0    
      0       0.376724
      1      -0.483917
      2       0.624884
        Nuclear Contribution:
                  0    
      0      -0.482003
      1       0.498070
      2      -0.473970
        Total Dipole moment:
                  0    
      0      -0.105280
      1       0.014154
      2       0.150914
# -----------------------------------------------------------
$ 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) :        0.4427532157
        Electronic Contribution:
                  0    
      0       0.368742
      1      -0.454805
      2       0.599037
        Nuclear Contribution:
                  0    
      0      -0.482003
      1       0.498070
      2      -0.473970
        Total Dipole moment:
                  0    
      0      -0.113262
      1       0.043265
      2       0.125067
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     16.760000000000   15.050000000000   19.840000000000
               1 C     15.600000000000   14.120000000000   20.140000000000
               2 C     14.390000000000   14.860000000000   19.770000000000
               3 C     14.670000000000   16.080000000000   18.950000000000
               4 C     16.140000000000   16.320000000000   19.130000000000
               5 H     17.480000000000   14.510000000000   19.180000000000
               6 H     17.220000000000   15.350000000000   20.750000000000
               7 H     15.580000000000   13.800000000000   21.160000000000
               8 H     15.650000000000   13.220000000000   19.560000000000
               9 H     13.730000000000   15.210000000000   20.620000000000
              10 H     13.860000000000   14.180000000000   19.110000000000
              11 H     14.180000000000   16.980000000000   19.290000000000
              12 H     14.470000000000   15.930000000000   17.860000000000
              13 H     16.230000000000   17.250000000000   19.730000000000
              14 H     16.580000000000   16.480000000000   18.130000000000
              15 C     21.590000000000   17.670000000000   19.110000000000
              16 C     21.030000000000   19.040000000000   19.670000000000
              17 C     19.610000000000   19.080000000000   19.230000000000
              18 C     19.370000000000   18.020000000000   18.100000000000
              19 C     20.660000000000   17.180000000000   18.020000000000
              20 H     21.710000000000   16.860000000000   19.850000000000
              21 H     22.580000000000   17.770000000000   18.630000000000
              22 H     21.580000000000   19.960000000000   19.320000000000
              23 H     21.100000000000   19.050000000000   20.800000000000
              24 H     19.310000000000   20.070000000000   18.930000000000
              25 H     18.900000000000   18.970000000000   20.000000000000
              26 H     19.160000000000   18.490000000000   17.120000000000
              27 H     18.520000000000   17.350000000000   18.370000000000
              28 H     21.110000000000   17.340000000000   17.000000000000
              29 H     20.470000000000   16.100000000000   18.150000000000
              30 C     19.540000000000   16.740000000000   22.750000000000
              31 C     18.810000000000   15.640000000000   23.550000000000
              32 C     17.910000000000   16.360000000000   24.570000000000
              33 C     17.930000000000   17.880000000000   24.190000000000
              34 C     18.770000000000   18.070000000000   22.940000000000
              35 H     19.430000000000   16.510000000000   21.660000000000
              36 H     20.610000000000   16.780000000000   23.020000000000
              37 H     19.430000000000   15.070000000000   24.210000000000
              38 H     18.180000000000   15.010000000000   22.930000000000
              39 H     18.310000000000   16.270000000000   25.560000000000
              40 H     16.870000000000   15.970000000000   24.510000000000
              41 H     18.260000000000   18.430000000000   25.090000000000
              42 H     16.900000000000   18.300000000000   23.960000000000
              43 H     19.480000000000   18.900000000000   23.050000000000
              44 H     18.130000000000   18.320000000000   22.060000000000
              45 C     20.760000000000   11.970000000000   22.790000000000
              46 C     19.490000000000   11.950000000000   23.710000000000
              47 C     18.310000000000   11.680000000000   22.770000000000
              48 C     18.820000000000   11.640000000000   21.280000000000
              49 C     20.400000000000   11.710000000000   21.300000000000
              50 H     21.540000000000   11.230000000000   23.170000000000
              51 H     21.290000000000   12.960000000000   22.860000000000
              52 H     19.280000000000   12.880000000000   24.270000000000
              53 H     19.560000000000   11.220000000000   24.540000000000
              54 H     17.630000000000   12.470000000000   22.910000000000
              55 H     17.880000000000   10.710000000000   22.970000000000
              56 H     18.420000000000   12.440000000000   20.640000000000
              57 H     18.430000000000   10.670000000000   20.850000000000
              58 H     20.670000000000   12.580000000000   20.680000000000
              59 H     20.870000000000   10.820000000000   20.930000000000
              60 C     12.440000000000   18.690000000000   21.430000000000
              61 C     13.570000000000   17.700000000000   21.870000000000
              62 C     13.900000000000   18.190000000000   23.350000000000
              63 C     12.670000000000   18.920000000000   23.820000000000
              64 C     11.690000000000   19.160000000000   22.610000000000
              65 H     11.740000000000   18.250000000000   20.700000000000
              66 H     12.850000000000   19.540000000000   20.930000000000
              67 H     14.440000000000   17.780000000000   21.190000000000
              68 H     13.110000000000   16.730000000000   21.790000000000
              69 H     14.780000000000   18.850000000000   23.320000000000
              70 H     14.190000000000   17.400000000000   24.020000000000
              71 H     13.000000000000   19.860000000000   24.250000000000
              72 H     12.130000000000   18.430000000000   24.630000000000
              73 H     11.510000000000   20.270000000000   22.390000000000
              74 H     10.790000000000   18.580000000000   22.730000000000
              75 C     10.170000000000   16.210000000000   16.920000000000
              76 C     10.950000000000   16.140000000000   18.210000000000
              77 C     10.790000000000   14.700000000000   18.660000000000
              78 C     10.530000000000   13.860000000000   17.490000000000
              79 C     10.240000000000   14.810000000000   16.320000000000
              80 H     10.740000000000   16.910000000000   16.260000000000
              81 H      9.160000000000   16.530000000000   17.080000000000
              82 H     10.380000000000   16.670000000000   19.000000000000
              83 H     12.020000000000   16.560000000000   18.200000000000
              84 H      9.970000000000   14.600000000000   19.370000000000
              85 H     11.640000000000   14.260000000000   19.080000000000
              86 H      9.600000000000   13.230000000000   17.450000000000
              87 H     11.380000000000   13.290000000000   17.160000000000
              88 H      9.300000000000   14.610000000000   15.860000000000
              89 H     11.100000000000   14.740000000000   15.550000000000
