-------------------------------------------------------------
----------------------- !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:    -1171.1879632719
# -----------------------------------------------------------
$ 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     6.1572     6.0000    -0.1572     3.9036     3.9036     0.0000
  1   0     6.1438     6.0000    -0.1438     3.8965     3.8965     0.0000
  2   0     6.0763     6.0000    -0.0763     3.8263     3.8263    -0.0000
  3   0     6.1976     6.0000    -0.1976     3.9288     3.9288    -0.0000
  4   0     6.1239     6.0000    -0.1239     3.9227     3.9227    -0.0000
  5   0     0.9165     1.0000     0.0835     0.9666     0.9666     0.0000
  6   0     0.9142     1.0000     0.0858     0.9847     0.9847     0.0000
  7   0     0.9869     1.0000     0.0131     0.9949     0.9949    -0.0000
  8   0     0.9414     1.0000     0.0586     0.9794     0.9794     0.0000
  9   0     0.9943     1.0000     0.0057     1.0041     1.0041     0.0000
 10   0     0.9298     1.0000     0.0702     0.9825     0.9825    -0.0000
 11   0     0.9091     1.0000     0.0909     0.9751     0.9751    -0.0000
 12   0     0.9120     1.0000     0.0880     0.9734     0.9734    -0.0000
 13   0     0.9046     1.0000     0.0954     0.9743     0.9743    -0.0000
 14   0     0.9207     1.0000     0.0793     0.9788     0.9788    -0.0000
 15   0     6.1218     6.0000    -0.1218     3.8846     3.8846     0.0000
 16   0     6.1392     6.0000    -0.1392     3.8854     3.8854    -0.0000
 17   0     6.2142     6.0000    -0.2142     3.8829     3.8829    -0.0000
 18   0     6.1520     6.0000    -0.1520     3.8888     3.8888    -0.0000
 19   0     6.1593     6.0000    -0.1593     3.9139     3.9139     0.0000
 20   0     0.9062     1.0000     0.0938     0.9726     0.9726    -0.0000
 21   0     0.9678     1.0000     0.0322     0.9947     0.9947    -0.0000
 22   0     0.9298     1.0000     0.0702     0.9801     0.9801    -0.0000
 23   0     0.9192     1.0000     0.0808     0.9794     0.9794    -0.0000
 24   0     0.9155     1.0000     0.0845     0.9703     0.9703    -0.0000
 25   0     0.9046     1.0000     0.0954     0.9715     0.9715    -0.0000
 26   0     0.9209     1.0000     0.0791     0.9753     0.9753    -0.0000
 27   0     0.9021     1.0000     0.0979     0.9744     0.9744    -0.0000
 28   0     0.9326     1.0000     0.0674     0.9785     0.9785    -0.0000
 29   0     0.9184     1.0000     0.0816     0.9805     0.9805     0.0000
 30   0     6.2001     6.0000    -0.2001     3.9160     3.9160     0.0000
 31   0     6.2150     6.0000    -0.2150     3.8702     3.8702    -0.0000
 32   0     6.1136     6.0000    -0.1136     3.8673     3.8673    -0.0000
 33   0     6.1211     6.0000    -0.1211     3.9602     3.9602    -0.0000
 34   0     6.0974     6.0000    -0.0974     3.9017     3.9017     0.0000
 35   0     0.9200     1.0000     0.0800     0.9782     0.9782    -0.0000
 36   0     0.9044     1.0000     0.0956     0.9736     0.9736     0.0000
 37   0     0.9096     1.0000     0.0904     0.9779     0.9779     0.0000
 38   0     0.9167     1.0000     0.0833     0.9501     0.9501     0.0000
 39   0     0.9181     1.0000     0.0819     0.9709     0.9709    -0.0000
 40   0     0.9449     1.0000     0.0551     0.9897     0.9897    -0.0000
 41   0     0.9130     1.0000     0.0870     0.9722     0.9722     0.0000
 42   0     0.9519     1.0000     0.0481     0.9862     0.9862    -0.0000
 43   0     0.9164     1.0000     0.0836     0.9767     0.9767     0.0000
 44   0     0.9457     1.0000     0.0543     0.9816     0.9816     0.0000
 45   0     6.1609     6.0000    -0.1609     3.9029     3.9029    -0.0000
 46   0     6.1278     6.0000    -0.1278     3.8635     3.8635     0.0000
 47   0     6.1627     6.0000    -0.1627     3.8866     3.8866     0.0000
 48   0     6.1689     6.0000    -0.1689     3.8976     3.8976     0.0000
 49   0     6.1622     6.0000    -0.1622     3.8931     3.8931    -0.0000
 50   0     0.9216     1.0000     0.0784     0.9743     0.9743     0.0000
 51   0     0.9101     1.0000     0.0899     0.9733     0.9733    -0.0000
 52   0     0.9226     1.0000     0.0774     0.9782     0.9782     0.0000
 53   0     0.9710     1.0000     0.0290     1.0050     1.0050     0.0000
 54   0     0.9145     1.0000     0.0855     0.9698     0.9698     0.0000
 55   0     0.9211     1.0000     0.0789     0.9812     0.9812     0.0000
 56   0     0.9148     1.0000     0.0852     0.9756     0.9756     0.0000
 57   0     0.9154     1.0000     0.0846     0.9730     0.9730     0.0000
 58   0     0.9138     1.0000     0.0862     0.9718     0.9718    -0.0000
 59   0     0.9101     1.0000     0.0899     0.9714     0.9714     0.0000
 60   0     6.1512     6.0000    -0.1512     3.8862     3.8862    -0.0000
 61   0     6.1811     6.0000    -0.1811     3.8756     3.8756    -0.0000
 62   0     6.1414     6.0000    -0.1414     3.8891     3.8891     0.0000
 63   0     6.1532     6.0000    -0.1532     3.9032     3.9032     0.0000
 64   0     6.1862     6.0000    -0.1862     3.9096     3.9096    -0.0000
 65   0     0.9004     1.0000     0.0996     0.9698     0.9698    -0.0000
 66   0     0.9256     1.0000     0.0744     0.9774     0.9774    -0.0000
 67   0     0.9069     1.0000     0.0931     0.9709     0.9709    -0.0000
 68   0     0.9351     1.0000     0.0649     0.9758     0.9758    -0.0000
 69   0     0.9410     1.0000     0.0590     0.9883     0.9883    -0.0000
 70   0     0.9119     1.0000     0.0881     0.9723     0.9723     0.0000
 71   0     0.9231     1.0000     0.0769     0.9734     0.9734    -0.0000
 72   0     0.9033     1.0000     0.0967     0.9772     0.9772     0.0000
 73   0     0.9118     1.0000     0.0882     0.9725     0.9725    -0.0000
 74   0     0.9191     1.0000     0.0809     0.9764     0.9764    -0.0000
 75   0     6.2023     6.0000    -0.2023     3.9037     3.9037    -0.0000
 76   0     6.1929     6.0000    -0.1929     3.9152     3.9152    -0.0000
 77   0     6.0941     6.0000    -0.0941     3.8867     3.8867     0.0000
 78   0     6.2135     6.0000    -0.2135     3.9189     3.9189    -0.0000
 79   0     6.0798     6.0000    -0.0798     3.8294     3.8294    -0.0000
 80   0     0.9098     1.0000     0.0902     0.9698     0.9698    -0.0000
 81   0     0.9239     1.0000     0.0761     0.9719     0.9719    -0.0000
 82   0     0.9104     1.0000     0.0896     0.9773     0.9773    -0.0000
 83   0     0.9186     1.0000     0.0814     0.9754     0.9754     0.0000
 84   0     0.9194     1.0000     0.0806     0.9764     0.9764     0.0000
 85   0     0.9182     1.0000     0.0818     0.9776     0.9776    -0.0000
 86   0     0.9111     1.0000     0.0889     0.9744     0.9744    -0.0000
 87   0     0.9176     1.0000     0.0824     0.9716     0.9716    -0.0000
 88   0     0.9226     1.0000     0.0774     0.9783     0.9783    -0.0000
 89   0     0.9574     1.0000     0.0426     1.0013     1.0013     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                0.967975
                0             6               4            6                0.978394
                0             6               5            1                0.994400
                0             6               6            1                0.987251
                1             6               2            6                0.975631
                1             6               7            1                0.987967
                1             6               8            1                0.986618
                2             6               3            6                0.946158
                2             6               9            1                0.998331
                2             6              10            1                1.000644
                3             6               4            6                0.990229
                3             6              11            1                0.994283
                3             6              12            1                0.997444
                4             6              13            1                0.994428
                4             6              14            1                0.991609
               15             6              16            6                0.973426
               15             6              19            6                0.972171
               15             6              20            1                0.985514
               15             6              21            1                0.990087
               16             6              17            6                0.950063
               16             6              22            1                1.002713
               16             6              23            1                0.994474
               17             6              18            6                0.970858
               17             6              24            1                1.000230
               17             6              25            1                0.989441
               18             6              19            6                0.962764
               18             6              26            1                0.997753
               18             6              27            1                0.985253
               19             6              28            1                1.000451
               19             6              29            1                0.994959
               30             6              31            6                0.982901
               30             6              34            6                0.970863
               30             6              35            1                0.991659
               30             6              36            1                0.993630
               31             6              32            6                0.943928
               31             6              37            1                0.988777
               31             6              38            1                0.988956
               32             6              33            6                0.981556
               32             6              39            1                0.986278
               32             6              40            1                0.997848
               33             6              34            6                0.991055
               33             6              41            1                0.995261
               33             6              42            1                0.993555
               34             6              43            1                0.994443
               34             6              44            1                0.990081
               45             6              46            6                0.972578
               45             6              49            6                0.964155
               45             6              50            1                0.991844
               45             6              51            1                0.992379
               46             6              47            6                0.958782
               46             6              52            1                0.991424
               46             6              53            1                0.998058
               47             6              48            6                0.971181
               47             6              54            1                0.984530
               47             6              55            1                1.002602
               48             6              49            6                0.974394
               48             6              56            1                0.995937
               48             6              57            1                0.987180
               49             6              58            1                0.994817
               49             6              59            1                0.992993
               60             6              61            6                0.961056
               60             6              64            6                0.975979
               60             6              65            1                0.984303
               60             6              66            1                1.002451
               61             6              62            6                0.971830
               61             6              67            1                0.990262
               61             6              68            1                0.990337
               62             6              63            6                0.972265
               62             6              69            1                0.994130
               62             6              70            1                0.985044
               63             6              64            6                0.977478
               63             6              71            1                0.998200
               63             6              72            1                0.989149
               64             6              73            1                0.990391
               64             6              74            1                0.988764
               75             6              76            6                0.972390
               75             6              79            6                0.947608
               75             6              80            1                0.998288
               75             6              81            1                1.001642
               76             6              77            6                0.975863
               76             6              82            1                0.997766
               76             6              83            1                0.994961
               77             6              78            6                0.972599
               77             6              84            1                0.995055
               77             6              85            1                0.994449
               78             6              79            6                0.958618
               78             6              86            1                0.993693
               78             6              87            1                0.994005
               79             6              88            1                0.989086
               79             6              89            1                1.002267
# -----------------------------------------------------------
$ 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     6.1657     6.0000    -0.1657     4.0150     3.6947     0.3203
  1   0     6.1517     6.0000    -0.1517     4.0070     3.6729     0.3341
  2   0     6.0844     6.0000    -0.0844     3.9331     3.6114     0.3217
  3   0     6.2056     6.0000    -0.2056     4.0386     3.7153     0.3233
  4   0     6.1329     6.0000    -0.1329     4.0316     3.7137     0.3179
  5   0     0.9124     1.0000     0.0876     0.9763     0.9248     0.0515
  6   0     0.9100     1.0000     0.0900     0.9937     0.9428     0.0509
  7   0     0.9827     1.0000     0.0173     1.0077     0.9459     0.0618
  8   0     0.9369     1.0000     0.0631     0.9899     0.9354     0.0545
  9   0     0.9898     1.0000     0.0102     1.0165     0.9583     0.0582
 10   0     0.9255     1.0000     0.0745     0.9918     0.9376     0.0542
 11   0     0.9052     1.0000     0.0948     0.9839     0.9322     0.0517
 12   0     0.9082     1.0000     0.0918     0.9826     0.9295     0.0531
 13   0     0.9004     1.0000     0.0996     0.9830     0.9321     0.0509
 14   0     0.9164     1.0000     0.0836     0.9880     0.9366     0.0514
 15   0     6.1294     6.0000    -0.1294     3.9895     3.6711     0.3184
 16   0     6.1471     6.0000    -0.1471     3.9929     3.6766     0.3163
 17   0     6.2220     6.0000    -0.2220     3.9962     3.6742     0.3220
 18   0     6.1599     6.0000    -0.1599     3.9988     3.6751     0.3237
 19   0     6.1670     6.0000    -0.1670     4.0213     3.7030     0.3183
 20   0     0.9020     1.0000     0.0980     0.9813     0.9316     0.0497
 21   0     0.9647     1.0000     0.0353     1.0072     0.9464     0.0608
 22   0     0.9258     1.0000     0.0742     0.9898     0.9361     0.0537
 23   0     0.9152     1.0000     0.0848     0.9888     0.9381     0.0507
 24   0     0.9118     1.0000     0.0882     0.9797     0.9246     0.0551
 25   0     0.9008     1.0000     0.0992     0.9804     0.9287     0.0517
 26   0     0.9172     1.0000     0.0828     0.9851     0.9301     0.0550
 27   0     0.8980     1.0000     0.1020     0.9830     0.9320     0.0510
 28   0     0.9286     1.0000     0.0714     0.9883     0.9358     0.0525
 29   0     0.9144     1.0000     0.0856     0.9898     0.9405     0.0493
 30   0     6.2071     6.0000    -0.2071     4.0263     3.6999     0.3264
 31   0     6.2233     6.0000    -0.2233     3.9880     3.6531     0.3349
 32   0     6.1232     6.0000    -0.1232     3.9785     3.6564     0.3221
 33   0     6.1294     6.0000    -0.1294     4.0639     3.7457     0.3182
 34   0     6.1062     6.0000    -0.1062     4.0094     3.6872     0.3222
 35   0     0.9161     1.0000     0.0839     0.9878     0.9334     0.0544
 36   0     0.9004     1.0000     0.0996     0.9824     0.9330     0.0494
 37   0     0.9050     1.0000     0.0950     0.9864     0.9348     0.0516
 38   0     0.9133     1.0000     0.0867     0.9615     0.9061     0.0554
 39   0     0.9137     1.0000     0.0863     0.9801     0.9281     0.0520
 40   0     0.9404     1.0000     0.0596     0.9995     0.9467     0.0528
 41   0     0.9088     1.0000     0.0912     0.9812     0.9303     0.0509
 42   0     0.9477     1.0000     0.0523     0.9965     0.9413     0.0552
 43   0     0.9120     1.0000     0.0880     0.9857     0.9355     0.0502
 44   0     0.9418     1.0000     0.0582     0.9925     0.9363     0.0562
 45   0     6.1685     6.0000    -0.1685     4.0108     3.6934     0.3174
 46   0     6.1356     6.0000    -0.1356     3.9721     3.6493     0.3228
 47   0     6.1702     6.0000    -0.1702     3.9953     3.6729     0.3224
 48   0     6.1768     6.0000    -0.1768     4.0059     3.6872     0.3187
 49   0     6.1706     6.0000    -0.1706     4.0051     3.6843     0.3208
 50   0     0.9179     1.0000     0.0821     0.9842     0.9299     0.0543
 51   0     0.9059     1.0000     0.0941     0.9821     0.9312     0.0509
 52   0     0.9184     1.0000     0.0816     0.9876     0.9357     0.0519
 53   0     0.9673     1.0000     0.0327     1.0168     0.9608     0.0560
 54   0     0.9105     1.0000     0.0895     0.9793     0.9232     0.0561
 55   0     0.9173     1.0000     0.0827     0.9907     0.9414     0.0493
 56   0     0.9108     1.0000     0.0892     0.9846     0.9350     0.0496
 57   0     0.9116     1.0000     0.0884     0.9823     0.9282     0.0541
 58   0     0.9096     1.0000     0.0904     0.9811     0.9290     0.0521
 59   0     0.9062     1.0000     0.0938     0.9806     0.9288     0.0518
 60   0     6.1588     6.0000    -0.1588     3.9952     3.6723     0.3229
 61   0     6.1880     6.0000    -0.1880     3.9858     3.6632     0.3226
 62   0     6.1494     6.0000    -0.1494     3.9990     3.6764     0.3226
 63   0     6.1607     6.0000    -0.1607     4.0117     3.6890     0.3227
 64   0     6.1941     6.0000    -0.1941     4.0200     3.6933     0.3267
 65   0     0.8966     1.0000     0.1034     0.9786     0.9276     0.0510
 66   0     0.9218     1.0000     0.0782     0.9873     0.9338     0.0535
 67   0     0.9028     1.0000     0.0972     0.9796     0.9281     0.0515
 68   0     0.9313     1.0000     0.0687     0.9864     0.9304     0.0560
 69   0     0.9372     1.0000     0.0628     0.9987     0.9435     0.0552
 70   0     0.9081     1.0000     0.0919     0.9817     0.9316     0.0501
 71   0     0.9193     1.0000     0.0807     0.9832     0.9282     0.0550
 72   0     0.8995     1.0000     0.1005     0.9861     0.9361     0.0500
 73   0     0.9079     1.0000     0.0921     0.9816     0.9295     0.0521
 74   0     0.9154     1.0000     0.0846     0.9861     0.9330     0.0531
 75   0     6.2102     6.0000    -0.2102     4.0165     3.6922     0.3243
 76   0     6.2001     6.0000    -0.2001     4.0248     3.7029     0.3219
 77   0     6.1018     6.0000    -0.1018     3.9906     3.6777     0.3129
 78   0     6.2214     6.0000    -0.2214     4.0311     3.7064     0.3247
 79   0     6.0865     6.0000    -0.0865     3.9345     3.6157     0.3188
 80   0     0.9060     1.0000     0.0940     0.9789     0.9287     0.0502
 81   0     0.9201     1.0000     0.0799     0.9818     0.9279     0.0539
 82   0     0.9069     1.0000     0.0931     0.9865     0.9367     0.0498
 83   0     0.9150     1.0000     0.0850     0.9850     0.9316     0.0534
 84   0     0.9156     1.0000     0.0844     0.9860     0.9344     0.0516
 85   0     0.9144     1.0000     0.0856     0.9870     0.9355     0.0515
 86   0     0.9073     1.0000     0.0927     0.9835     0.9302     0.0533
 87   0     0.9136     1.0000     0.0864     0.9808     0.9275     0.0533
 88   0     0.9187     1.0000     0.0813     0.9878     0.9364     0.0514
 89   0     0.9542     1.0000     0.0458     1.0132     0.9566     0.0566
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.903145
                0             6               4            6                0.919097
                0             6               5            1                0.953742
                0             6               6            1                0.946895
                1             6               2            6                0.911408
                1             6               7            1                0.940270
                1             6               8            1                0.943495
                2             6               3            6                0.885492
                2             6               9            1                0.953585
                2             6              10            1                0.956265
                3             6               4            6                0.925599
                3             6              11            1                0.952748
                3             6              12            1                0.955032
                4             6              13            1                0.953473
                4             6              14            1                0.950877
               15             6              16            6                0.911010
               15             6              19            6                0.910600
               15             6              20            1                0.945830
               15             6              21            1                0.943259
               16             6              17            6                0.889987
               16             6              22            1                0.959772
               16             6              23            1                0.954483
               17             6              18            6                0.911440
               17             6              24            1                0.955703
               17             6              25            1                0.948211
               18             6              19            6                0.897461
               18             6              26            1                0.953539
               18             6              27            1                0.944426
               19             6              28            1                0.958625
               19             6              29            1                0.956293
               30             6              31            6                0.916190
               30             6              34            6                0.907399
               30             6              35            1                0.948014
               30             6              36            1                0.954562
               31             6              32            6                0.882072
               31             6              37            1                0.947091
               31             6              38            1                0.945291
               32             6              33            6                0.919020
               32             6              39            1                0.944647
               32             6              40            1                0.955814
               33             6              34            6                0.927600
               33             6              41            1                0.954288
               33             6              42            1                0.949760
               34             6              43            1                0.954189
               34             6              44            1                0.945881
               45             6              46            6                0.910963
               45             6              49            6                0.904230
               45             6              50            1                0.948342
               45             6              51            1                0.951687
               46             6              47            6                0.893251
               46             6              52            1                0.950013
               46             6              53            1                0.955377
               47             6              48            6                0.909780
               47             6              54            1                0.939568
               47             6              55            1                0.963679
               48             6              49            6                0.911857
               48             6              56            1                0.956551
               48             6              57            1                0.943771
               49             6              58            1                0.953286
               49             6              59            1                0.951496
               60             6              61            6                0.899411
               60             6              64            6                0.910059
               60             6              65            1                0.943624
               60             6              66            1                0.959711
               61             6              62            6                0.910281
               61             6              67            1                0.948592
               61             6              68            1                0.945946
               62             6              63            6                0.908090
               62             6              69            1                0.950594
               62             6              70            1                0.945505
               63             6              64            6                0.914287
               63             6              71            1                0.954036
               63             6              72            1                0.949617
               64             6              73            1                0.948719
               64             6              74            1                0.946848
               75             6              76            6                0.909898
               75             6              79            6                0.884078
               75             6              80            1                0.958322
               75             6              81            1                0.958710
               76             6              77            6                0.911658
               76             6              82            1                0.958363
               76             6              83            1                0.952463
               77             6              78            6                0.912232
               77             6              84            1                0.954176
               77             6              85            1                0.953623
               78             6              79            6                0.896276
               78             6              86            1                0.950664
               78             6              87            1                0.950974
               79             6              88            1                0.947908
               79             6              89            1                0.958239
# -----------------------------------------------------------
$ 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     6.2195     6.0000    -0.2195     4.0002     3.6845     0.3157
  1   0     6.1862     6.0000    -0.1862     3.9651     3.6365     0.3286
  2   0     6.1564     6.0000    -0.1564     3.9253     3.6082     0.3171
  3   0     6.2403     6.0000    -0.2403     4.0091     3.6903     0.3188
  4   0     6.1864     6.0000    -0.1864     4.0138     3.7001     0.3137
  5   0     0.8926     1.0000     0.1074     0.9786     0.9283     0.0503
  6   0     0.8840     1.0000     0.1160     0.9865     0.9369     0.0496
  7   0     0.9600     1.0000     0.0400     1.0112     0.9510     0.0602
  8   0     0.9177     1.0000     0.0823     0.9923     0.9393     0.0530
  9   0     0.9564     1.0000     0.0436     1.0120     0.9556     0.0564
 10   0     0.8963     1.0000     0.1037     0.9877     0.9349     0.0528
 11   0     0.8830     1.0000     0.1170     0.9773     0.9266     0.0507
 12   0     0.8844     1.0000     0.1156     0.9763     0.9244     0.0519
 13   0     0.8769     1.0000     0.1231     0.9771     0.9274     0.0497
 14   0     0.8925     1.0000     0.1075     0.9798     0.9295     0.0503
 15   0     6.1851     6.0000    -0.1851     3.9695     3.6553     0.3142
 16   0     6.2055     6.0000    -0.2055     3.9741     3.6617     0.3124
 17   0     6.2610     6.0000    -0.2610     3.9868     3.6696     0.3172
 18   0     6.2112     6.0000    -0.2112     3.9873     3.6677     0.3196
 19   0     6.2204     6.0000    -0.2204     3.9930     3.6788     0.3142
 20   0     0.8798     1.0000     0.1202     0.9756     0.9269     0.0487
 21   0     0.9332     1.0000     0.0668     1.0039     0.9447     0.0592
 22   0     0.8948     1.0000     0.1052     0.9835     0.9312     0.0523
 23   0     0.8903     1.0000     0.1097     0.9782     0.9286     0.0496
 24   0     0.8855     1.0000     0.1145     0.9715     0.9176     0.0539
 25   0     0.8771     1.0000     0.1229     0.9718     0.9211     0.0507
 26   0     0.8919     1.0000     0.1081     0.9810     0.9273     0.0537
 27   0     0.8787     1.0000     0.1213     0.9767     0.9266     0.0501
 28   0     0.8988     1.0000     0.1012     0.9817     0.9305     0.0512
 29   0     0.8891     1.0000     0.1109     0.9804     0.9322     0.0482
 30   0     6.2379     6.0000    -0.2379     3.9826     3.6607     0.3219
 31   0     6.2714     6.0000    -0.2714     3.9728     3.6429     0.3299
 32   0     6.1936     6.0000    -0.1936     3.9654     3.6477     0.3177
 33   0     6.1738     6.0000    -0.1738     4.0183     3.7044     0.3139
 34   0     6.1784     6.0000    -0.1784     4.0011     3.6829     0.3182
 35   0     0.8887     1.0000     0.1113     0.9796     0.9265     0.0531
 36   0     0.8771     1.0000     0.1229     0.9746     0.9263     0.0483
 37   0     0.8821     1.0000     0.1179     0.9809     0.9305     0.0504
 38   0     0.8919     1.0000     0.1081     0.9686     0.9148     0.0538
 39   0     0.8912     1.0000     0.1088     0.9745     0.9236     0.0509
 40   0     0.9031     1.0000     0.0969     0.9913     0.9402     0.0511
 41   0     0.8864     1.0000     0.1136     0.9745     0.9247     0.0498
 42   0     0.9159     1.0000     0.0841     0.9972     0.9435     0.0537
 43   0     0.8884     1.0000     0.1116     0.9762     0.9271     0.0491
 44   0     0.9107     1.0000     0.0893     0.9938     0.9392     0.0546
 45   0     6.2211     6.0000    -0.2211     3.9957     3.6827     0.3130
 46   0     6.1970     6.0000    -0.1970     3.9579     3.6395     0.3184
 47   0     6.2159     6.0000    -0.2159     3.9723     3.6544     0.3179
 48   0     6.2256     6.0000    -0.2256     3.9918     3.6774     0.3144
 49   0     6.2224     6.0000    -0.2224     3.9860     3.6693     0.3167
 50   0     0.8850     1.0000     0.1150     0.9757     0.9228     0.0529
 51   0     0.8836     1.0000     0.1164     0.9755     0.9256     0.0499
 52   0     0.8940     1.0000     0.1060     0.9792     0.9285     0.0507
 53   0     0.9314     1.0000     0.0686     1.0128     0.9584     0.0544
 54   0     0.8889     1.0000     0.1111     0.9732     0.9181     0.0551
 55   0     0.8897     1.0000     0.1103     0.9857     0.9376     0.0481
 56   0     0.8860     1.0000     0.1140     0.9761     0.9276     0.0485
 57   0     0.8872     1.0000     0.1128     0.9753     0.9222     0.0531
 58   0     0.8865     1.0000     0.1135     0.9724     0.9214     0.0510
 59   0     0.8798     1.0000     0.1202     0.9734     0.9229     0.0505
 60   0     6.2069     6.0000    -0.2069     3.9811     3.6623     0.3188
 61   0     6.2358     6.0000    -0.2358     3.9738     3.6558     0.3180
 62   0     6.2130     6.0000    -0.2130     3.9889     3.6704     0.3185
 63   0     6.2070     6.0000    -0.2070     3.9940     3.6754     0.3186
 64   0     6.2404     6.0000    -0.2404     4.0074     3.6848     0.3226
 65   0     0.8758     1.0000     0.1242     0.9727     0.9227     0.0500
 66   0     0.8954     1.0000     0.1046     0.9770     0.9245     0.0525
 67   0     0.8782     1.0000     0.1218     0.9719     0.9216     0.0503
 68   0     0.9015     1.0000     0.0985     0.9776     0.9230     0.0546
 69   0     0.9037     1.0000     0.0963     0.9904     0.9367     0.0537
 70   0     0.8838     1.0000     0.1162     0.9752     0.9262     0.0490
 71   0     0.8955     1.0000     0.1045     0.9746     0.9206     0.0540
 72   0     0.8770     1.0000     0.1230     0.9784     0.9294     0.0490
 73   0     0.8848     1.0000     0.1152     0.9731     0.9220     0.0511
 74   0     0.8915     1.0000     0.1085     0.9774     0.9253     0.0521
 75   0     6.2546     6.0000    -0.2546     3.9951     3.6749     0.3202
 76   0     6.2496     6.0000    -0.2496     4.0115     3.6935     0.3180
 77   0     6.1594     6.0000    -0.1594     3.9851     3.6759     0.3092
 78   0     6.2645     6.0000    -0.2645     4.0186     3.6985     0.3201
 79   0     6.1581     6.0000    -0.1581     3.9383     3.6234     0.3149
 80   0     0.8802     1.0000     0.1198     0.9711     0.9220     0.0491
 81   0     0.8929     1.0000     0.1071     0.9729     0.9201     0.0528
 82   0     0.8810     1.0000     0.1190     0.9760     0.9273     0.0487
 83   0     0.8893     1.0000     0.1107     0.9748     0.9225     0.0523
 84   0     0.8910     1.0000     0.1090     0.9780     0.9275     0.0505
 85   0     0.8904     1.0000     0.1096     0.9789     0.9284     0.0505
 86   0     0.8811     1.0000     0.1189     0.9748     0.9227     0.0521
 87   0     0.8887     1.0000     0.1113     0.9736     0.9214     0.0522
 88   0     0.8934     1.0000     0.1066     0.9795     0.9293     0.0502
 89   0     0.9153     1.0000     0.0847     0.9985     0.9436     0.0549
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.902505
                0             6               4            6                0.935452
                0             6               5            1                0.940424
                0             6               6            1                0.930791
                1             6               2            6                0.916218
                1             6               7            1                0.920303
                1             6               8            1                0.930342
                2             6               3            6                0.901302
                2             6               9            1                0.934622
                2             6              10            1                0.942695
                3             6               4            6                0.930761
                3             6              11            1                0.936512
                3             6              12            1                0.936489
                4             6              13            1                0.937513
                4             6              14            1                0.934752
               15             6              16            6                0.918503
               15             6              19            6                0.915854
               15             6              20            1                0.935602
               15             6              21            1                0.928989
               16             6              17            6                0.902876
               16             6              22            1                0.945690
               16             6              23            1                0.938599
               17             6              18            6                0.927687
               17             6              24            1                0.937873
               17             6              25            1                0.931922
               18             6              19            6                0.901543
               18             6              26            1                0.939331
               18             6              27            1                0.929917
               19             6              28            1                0.947331
               19             6              29            1                0.943143
               30             6              31            6                0.914385
               30             6              34            6                0.916629
               30             6              35            1                0.930518
               30             6              36            1                0.940782
               31             6              32            6                0.891419
               31             6              37            1                0.932841
               31             6              38            1                0.935248
               32             6              33            6                0.921725
               32             6              39            1                0.928041
               32             6              40            1                0.946189
               33             6              34            6                0.933094
               33             6              41            1                0.938822
               33             6              42            1                0.935706
               34             6              43            1                0.938324
               34             6              44            1                0.932075
               45             6              46            6                0.915655
               45             6              49            6                0.916470
               45             6              50            1                0.933170
               45             6              51            1                0.938225
               46             6              47            6                0.896870
               46             6              52            1                0.934614
               46             6              53            1                0.947220
               47             6              48            6                0.920449
               47             6              54            1                0.922079
               47             6              55            1                0.956041
               48             6              49            6                0.918480
               48             6              56            1                0.944340
               48             6              57            1                0.929009
               49             6              58            1                0.936337
               49             6              59            1                0.939697
               60             6              61            6                0.910692
               60             6              64            6                0.917246
               60             6              65            1                0.932262
               60             6              66            1                0.943917
               61             6              62            6                0.918098
               61             6              67            1                0.938573
               61             6              68            1                0.928357
               62             6              63            6                0.915766
               62             6              69            1                0.935840
               62             6              70            1                0.934624
               63             6              64            6                0.925209
               63             6              71            1                0.936125
               63             6              72            1                0.938131
               64             6              73            1                0.935832
               64             6              74            1                0.933859
               75             6              76            6                0.918092
               75             6              79            6                0.894308
               75             6              80            1                0.944857
               75             6              81            1                0.943027
               76             6              77            6                0.920342
               76             6              82            1                0.945624
               76             6              83            1                0.936928
               77             6              78            6                0.926688
               77             6              84            1                0.942630
               77             6              85            1                0.939604
               78             6              79            6                0.909080
               78             6              86            1                0.935616
               78             6              87            1                0.937431
               79             6              88            1                0.937190
               79             6              89            1                0.942462
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1879632719
        Correlation Energy:       -5.0885309930
        Total MP2 Energy:      -1176.2764942650
# -----------------------------------------------------------
$ 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) :        0.4664806723
        Electronic Contribution:
                  0    
      0      -0.600573
      1       0.028614
      2       0.684386
        Nuclear Contribution:
                  0    
      0       0.731039
      1      -0.136568
      2      -0.755139
        Total Dipole moment:
                  0    
      0       0.130465
      1      -0.107953
      2      -0.070752
# -----------------------------------------------------------
$ 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) :        0.4696807136
        Electronic Contribution:
                  0    
      0      -0.599690
      1       0.028039
      2       0.683627
        Nuclear Contribution:
                  0    
      0       0.731039
      1      -0.136568
      2      -0.755139
        Total Dipole moment:
                  0    
      0       0.131348
      1      -0.108528
      2      -0.071512
# -----------------------------------------------------------
$ 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) :        0.4800983681
        Electronic Contribution:
                  0    
      0      -0.597043
      1       0.039980
      2       0.663530
        Nuclear Contribution:
                  0    
      0       0.731039
      1      -0.136568
      2      -0.755139
        Total Dipole moment:
                  0    
      0       0.133996
      1      -0.096587
      2      -0.091609
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     15.720000000000   19.160000000000   14.700000000000
               1 C     16.670000000000   19.260000000000   13.480000000000
               2 C     17.940000000000   19.890000000000   14.000000000000
               3 C     17.760000000000   20.520000000000   15.340000000000
               4 C     16.260000000000   20.210000000000   15.590000000000
               5 H     15.820000000000   18.210000000000   15.190000000000
               6 H     14.720000000000   19.270000000000   14.310000000000
               7 H     16.330000000000   19.960000000000   12.630000000000
               8 H     16.960000000000   18.270000000000   13.140000000000
               9 H     18.240000000000   20.670000000000   13.280000000000
              10 H     18.720000000000   19.110000000000   13.970000000000
              11 H     18.020000000000   21.590000000000   15.310000000000
              12 H     18.460000000000   20.070000000000   16.080000000000
              13 H     15.750000000000   21.150000000000   15.420000000000
              14 H     16.140000000000   19.930000000000   16.630000000000
              15 C     17.710000000000   15.540000000000   15.090000000000
              16 C     18.630000000000   15.490000000000   13.870000000000
              17 C     19.920000000000   16.220000000000   14.130000000000
              18 C     19.790000000000   16.880000000000   15.470000000000
              19 C     18.380000000000   16.470000000000   16.060000000000
              20 H     17.480000000000   14.580000000000   15.530000000000
              21 H     16.720000000000   16.040000000000   14.800000000000
              22 H     18.190000000000   15.870000000000   12.930000000000
              23 H     18.800000000000   14.460000000000   13.680000000000
              24 H     20.060000000000   16.820000000000   13.200000000000
              25 H     20.860000000000   15.680000000000   13.990000000000
              26 H     19.720000000000   17.990000000000   15.430000000000
              27 H     20.620000000000   16.680000000000   16.170000000000
              28 H     17.740000000000   17.320000000000   16.240000000000
              29 H     18.480000000000   15.980000000000   16.980000000000
              30 C     18.090000000000   19.370000000000   10.030000000000
              31 C     17.120000000000   20.600000000000   10.200000000000
              32 C     15.720000000000   20.010000000000   10.060000000000
              33 C     15.780000000000   18.520000000000   10.200000000000
              34 C     17.250000000000   18.110000000000   10.340000000000
              35 H     18.930000000000   19.410000000000   10.750000000000
              36 H     18.560000000000   19.350000000000    9.080000000000
              37 H     17.490000000000   21.270000000000    9.410000000000
              38 H     17.240000000000   21.000000000000   11.210000000000
              39 H     15.380000000000   20.360000000000    9.080000000000
              40 H     15.070000000000   20.400000000000   10.820000000000
              41 H     15.350000000000   18.150000000000    9.280000000000
              42 H     15.100000000000   18.310000000000   11.050000000000
              43 H     17.450000000000   17.370000000000    9.600000000000
              44 H     17.490000000000   17.600000000000   11.310000000000
              45 C     15.170000000000   23.590000000000   11.560000000000
              46 C     14.730000000000   22.790000000000   12.740000000000
              47 C     13.220000000000   22.390000000000   12.510000000000
              48 C     12.840000000000   22.700000000000   11.080000000000
              49 C     14.080000000000   23.410000000000   10.520000000000
              50 H     16.110000000000   23.140000000000   11.190000000000
              51 H     15.410000000000   24.590000000000   11.940000000000
              52 H     14.890000000000   23.460000000000   13.570000000000
              53 H     15.320000000000   21.900000000000   12.940000000000
              54 H     12.480000000000   22.970000000000   13.200000000000
              55 H     13.230000000000   21.390000000000   12.750000000000
              56 H     12.000000000000   23.350000000000   11.010000000000
              57 H     12.520000000000   21.730000000000   10.590000000000
              58 H     13.720000000000   24.310000000000   10.020000000000
              59 H     14.400000000000   22.900000000000    9.630000000000
              60 C     13.030000000000   14.800000000000   13.980000000000
              61 C     13.830000000000   16.040000000000   13.570000000000
              62 C     12.860000000000   17.150000000000   13.190000000000
              63 C     11.510000000000   16.430000000000   12.820000000000
              64 C     11.540000000000   15.030000000000   13.480000000000
              65 H     13.120000000000   14.460000000000   15.020000000000
              66 H     13.430000000000   13.980000000000   13.370000000000
              67 H     14.600000000000   15.860000000000   12.810000000000
              68 H     14.430000000000   16.360000000000   14.450000000000
              69 H     13.330000000000   17.690000000000   12.340000000000
              70 H     12.680000000000   17.860000000000   13.960000000000
              71 H     11.540000000000   16.280000000000   11.700000000000
              72 H     10.580000000000   16.930000000000   13.030000000000
              73 H     11.250000000000   14.220000000000   12.790000000000
              74 H     10.830000000000   14.980000000000   14.330000000000
              75 C     21.190000000000   22.770000000000   11.300000000000
              76 C     21.600000000000   24.240000000000   11.600000000000
              77 C     20.240000000000   24.970000000000   11.880000000000
              78 C     19.080000000000   24.000000000000   11.800000000000
              79 C     19.640000000000   22.640000000000   11.340000000000
              80 H     21.640000000000   22.020000000000   11.890000000000
              81 H     21.530000000000   22.370000000000   10.330000000000
              82 H     22.230000000000   24.660000000000   10.870000000000
              83 H     22.330000000000   24.350000000000   12.420000000000
              84 H     20.190000000000   25.740000000000   11.120000000000
              85 H     20.240000000000   25.440000000000   12.860000000000
              86 H     18.310000000000   24.400000000000   11.100000000000
              87 H     18.530000000000   23.850000000000   12.760000000000
              88 H     19.350000000000   22.320000000000   10.360000000000
              89 H     19.400000000000   21.850000000000   12.070000000000
