-------------------------------------------------------------
----------------------- !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:    -1171.2027524843
# -----------------------------------------------------------
$ 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     6.1779     6.0000    -0.1779     3.8915     3.8915    -0.0000
  1   0     6.1579     6.0000    -0.1579     3.8722     3.8722    -0.0000
  2   0     6.1339     6.0000    -0.1339     3.8790     3.8790     0.0000
  3   0     6.1828     6.0000    -0.1828     3.9084     3.9084     0.0000
  4   0     6.1699     6.0000    -0.1699     3.8703     3.8703     0.0000
  5   0     0.9248     1.0000     0.0752     0.9800     0.9800    -0.0000
  6   0     0.9067     1.0000     0.0933     0.9751     0.9751    -0.0000
  7   0     0.9194     1.0000     0.0806     0.9720     0.9720    -0.0000
  8   0     0.9212     1.0000     0.0788     0.9727     0.9727    -0.0000
  9   0     0.9222     1.0000     0.0778     0.9769     0.9769     0.0000
 10   0     0.9250     1.0000     0.0750     0.9827     0.9827     0.0000
 11   0     0.9082     1.0000     0.0918     0.9757     0.9757     0.0000
 12   0     0.9187     1.0000     0.0813     0.9800     0.9800    -0.0000
 13   0     0.9166     1.0000     0.0834     0.9753     0.9753    -0.0000
 14   0     0.9148     1.0000     0.0852     0.9759     0.9759    -0.0000
 15   0     6.1551     6.0000    -0.1551     3.9026     3.9026    -0.0000
 16   0     6.1432     6.0000    -0.1432     3.8892     3.8892     0.0000
 17   0     6.2086     6.0000    -0.2086     3.8796     3.8796     0.0000
 18   0     6.1658     6.0000    -0.1658     3.8609     3.8609     0.0000
 19   0     6.1236     6.0000    -0.1236     3.9173     3.9173     0.0000
 20   0     0.9209     1.0000     0.0791     0.9754     0.9754    -0.0000
 21   0     0.9273     1.0000     0.0727     0.9778     0.9778    -0.0000
 22   0     0.9186     1.0000     0.0814     0.9734     0.9734     0.0000
 23   0     0.9185     1.0000     0.0815     0.9779     0.9779     0.0000
 24   0     0.9195     1.0000     0.0805     0.9771     0.9771    -0.0000
 25   0     0.9189     1.0000     0.0811     0.9770     0.9770     0.0000
 26   0     0.9182     1.0000     0.0818     0.9757     0.9757     0.0000
 27   0     0.9203     1.0000     0.0797     0.9811     0.9811     0.0000
 28   0     0.9181     1.0000     0.0819     0.9812     0.9812     0.0000
 29   0     0.9210     1.0000     0.0790     0.9798     0.9798     0.0000
 30   0     6.1597     6.0000    -0.1597     3.8958     3.8958     0.0000
 31   0     6.1906     6.0000    -0.1906     3.9138     3.9138     0.0000
 32   0     6.1900     6.0000    -0.1900     3.8650     3.8650     0.0000
 33   0     6.1275     6.0000    -0.1275     3.9091     3.9091    -0.0000
 34   0     6.1768     6.0000    -0.1768     3.9409     3.9409    -0.0000
 35   0     0.9098     1.0000     0.0902     0.9768     0.9768    -0.0000
 36   0     0.9117     1.0000     0.0883     0.9735     0.9735     0.0000
 37   0     0.9059     1.0000     0.0941     0.9706     0.9706     0.0000
 38   0     0.9036     1.0000     0.0964     0.9744     0.9744     0.0000
 39   0     0.9401     1.0000     0.0599     0.9906     0.9906     0.0000
 40   0     0.9148     1.0000     0.0852     0.9716     0.9716     0.0000
 41   0     0.9212     1.0000     0.0788     0.9796     0.9796    -0.0000
 42   0     0.9075     1.0000     0.0925     0.9767     0.9767    -0.0000
 43   0     0.9184     1.0000     0.0816     0.9761     0.9761    -0.0000
 44   0     0.9244     1.0000     0.0756     0.9779     0.9779     0.0000
 45   0     6.1941     6.0000    -0.1941     3.9295     3.9295     0.0000
 46   0     6.1795     6.0000    -0.1795     3.8783     3.8783    -0.0000
 47   0     6.0934     6.0000    -0.0934     3.9227     3.9227    -0.0000
 48   0     6.2256     6.0000    -0.2256     3.9019     3.9019     0.0000
 49   0     6.1032     6.0000    -0.1032     3.8806     3.8806     0.0000
 50   0     0.9111     1.0000     0.0889     0.9684     0.9684     0.0000
 51   0     0.9160     1.0000     0.0840     0.9806     0.9806     0.0000
 52   0     0.9250     1.0000     0.0750     0.9724     0.9724    -0.0000
 53   0     0.9290     1.0000     0.0710     0.9799     0.9799    -0.0000
 54   0     0.9227     1.0000     0.0773     0.9792     0.9792    -0.0000
 55   0     0.9248     1.0000     0.0752     0.9881     0.9881    -0.0000
 56   0     0.9086     1.0000     0.0914     0.9778     0.9778     0.0000
 57   0     0.9275     1.0000     0.0725     0.9768     0.9768     0.0000
 58   0     0.9155     1.0000     0.0845     0.9788     0.9788     0.0000
 59   0     0.9260     1.0000     0.0740     0.9801     0.9801     0.0000
 60   0     6.1709     6.0000    -0.1709     3.9019     3.9019     0.0000
 61   0     6.1506     6.0000    -0.1506     3.9275     3.9275     0.0000
 62   0     6.1086     6.0000    -0.1086     3.8550     3.8550     0.0000
 63   0     6.1542     6.0000    -0.1542     3.9260     3.9260     0.0000
 64   0     6.1620     6.0000    -0.1620     3.9093     3.9093    -0.0000
 65   0     0.9154     1.0000     0.0846     0.9809     0.9809    -0.0000
 66   0     0.9261     1.0000     0.0739     0.9712     0.9712     0.0000
 67   0     0.9286     1.0000     0.0714     0.9781     0.9781     0.0000
 68   0     0.9163     1.0000     0.0837     0.9744     0.9744     0.0000
 69   0     0.9426     1.0000     0.0574     0.9831     0.9831     0.0000
 70   0     0.9429     1.0000     0.0571     0.9852     0.9852    -0.0000
 71   0     0.9185     1.0000     0.0815     0.9843     0.9843     0.0000
 72   0     0.9269     1.0000     0.0731     0.9782     0.9782     0.0000
 73   0     0.9232     1.0000     0.0768     0.9758     0.9758    -0.0000
 74   0     0.9137     1.0000     0.0863     0.9764     0.9764    -0.0000
 75   0     6.1338     6.0000    -0.1338     3.8785     3.8785     0.0000
 76   0     6.2053     6.0000    -0.2053     3.9154     3.9154    -0.0000
 77   0     6.1873     6.0000    -0.1873     3.8415     3.8415    -0.0000
 78   0     6.1563     6.0000    -0.1563     3.8820     3.8820    -0.0000
 79   0     6.1909     6.0000    -0.1909     3.9248     3.9248    -0.0000
 80   0     0.9157     1.0000     0.0843     0.9735     0.9735     0.0000
 81   0     0.9093     1.0000     0.0907     0.9725     0.9725     0.0000
 82   0     0.9145     1.0000     0.0855     0.9709     0.9709     0.0000
 83   0     0.9118     1.0000     0.0882     0.9714     0.9714    -0.0000
 84   0     0.9143     1.0000     0.0857     0.9720     0.9720    -0.0000
 85   0     0.9232     1.0000     0.0768     0.9744     0.9744    -0.0000
 86   0     0.9137     1.0000     0.0863     0.9729     0.9729     0.0000
 87   0     0.9023     1.0000     0.0977     0.9691     0.9691    -0.0000
 88   0     0.9084     1.0000     0.0916     0.9724     0.9724    -0.0000
 89   0     0.9112     1.0000     0.0888     0.9737     0.9737     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                0.965900
                0             6               4            6                0.966369
                0             6               5            1                0.998467
                0             6               6            1                0.985322
                1             6               2            6                0.953773
                1             6               7            1                0.989236
                1             6               8            1                0.996832
                2             6               3            6                0.970140
                2             6               9            1                0.992272
                2             6              10            1                0.999670
                3             6               4            6                0.967361
                3             6              11            1                0.989199
                3             6              12            1                0.997705
                4             6              13            1                0.987434
                4             6              14            1                0.988994
               15             6              16            6                0.971473
               15             6              19            6                0.979416
               15             6              20            1                0.995290
               15             6              21            1                0.996898
               16             6              17            6                0.967583
               16             6              22            1                0.991945
               16             6              23            1                0.992917
               17             6              18            6                0.948552
               17             6              24            1                0.998610
               17             6              25            1                0.989068
               18             6              19            6                0.969707
               18             6              26            1                0.991025
               18             6              27            1                0.994768
               19             6              28            1                0.993440
               19             6              29            1                0.990560
               30             6              31            6                0.968995
               30             6              34            6                0.977540
               30             6              35            1                0.993013
               30             6              36            1                1.001855
               31             6              32            6                0.978177
               31             6              37            1                0.992564
               31             6              38            1                0.991084
               32             6              33            6                0.963746
               32             6              39            1                0.991025
               32             6              40            1                0.987155
               33             6              34            6                0.994008
               33             6              41            1                1.005630
               33             6              42            1                0.986650
               34             6              43            1                0.998048
               34             6              44            1                0.989717
               45             6              46            6                0.968098
               45             6              49            6                0.980383
               45             6              50            1                0.983657
               45             6              51            1                0.998930
               46             6              47            6                0.975644
               46             6              52            1                0.995221
               46             6              53            1                0.993038
               47             6              48            6                0.959453
               47             6              54            1                0.994855
               47             6              55            1                0.997335
               48             6              49            6                0.969016
               48             6              56            1                0.995270
               48             6              57            1                0.999290
               49             6              58            1                0.993390
               49             6              59            1                0.991955
               60             6              61            6                0.979920
               60             6              64            6                0.970044
               60             6              65            1                0.997137
               60             6              66            1                0.992038
               61             6              62            6                0.968333
               61             6              67            1                0.994775
               61             6              68            1                0.994684
               62             6              63            6                0.959552
               62             6              69            1                0.991856
               62             6              70            1                0.989843
               63             6              64            6                0.992578
               63             6              71            1                0.992453
               63             6              72            1                0.993787
               64             6              73            1                0.990114
               64             6              74            1                0.989675
               75             6              76            6                0.970928
               75             6              79            6                0.972540
               75             6              80            1                0.996607
               75             6              81            1                0.997488
               76             6              77            6                0.967251
               76             6              82            1                0.992982
               76             6              83            1                0.994555
               77             6              78            6                0.948848
               77             6              84            1                0.998604
               77             6              85            1                0.976986
               78             6              79            6                0.987560
               78             6              86            1                0.992041
               78             6              87            1                0.987032
               79             6              88            1                0.992093
               79             6              89            1                0.991904
# -----------------------------------------------------------
$ 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     6.1855     6.0000    -0.1855     4.0022     3.6784     0.3238
  1   0     6.1662     6.0000    -0.1662     3.9816     3.6665     0.3151
  2   0     6.1412     6.0000    -0.1412     3.9846     3.6708     0.3138
  3   0     6.1902     6.0000    -0.1902     4.0175     3.6996     0.3179
  4   0     6.1777     6.0000    -0.1777     3.9819     3.6516     0.3303
  5   0     0.9212     1.0000     0.0788     0.9900     0.9377     0.0523
  6   0     0.9027     1.0000     0.0973     0.9841     0.9325     0.0516
  7   0     0.9153     1.0000     0.0847     0.9814     0.9302     0.0512
  8   0     0.9173     1.0000     0.0827     0.9823     0.9282     0.0541
  9   0     0.9183     1.0000     0.0817     0.9864     0.9332     0.0532
 10   0     0.9214     1.0000     0.0786     0.9928     0.9411     0.0517
 11   0     0.9044     1.0000     0.0956     0.9847     0.9343     0.0504
 12   0     0.9150     1.0000     0.0850     0.9895     0.9397     0.0498
 13   0     0.9128     1.0000     0.0872     0.9850     0.9324     0.0526
 14   0     0.9108     1.0000     0.0892     0.9852     0.9333     0.0519
 15   0     6.1629     6.0000    -0.1629     4.0092     3.6947     0.3145
 16   0     6.1511     6.0000    -0.1511     3.9970     3.6763     0.3207
 17   0     6.2157     6.0000    -0.2157     3.9934     3.6629     0.3305
 18   0     6.1731     6.0000    -0.1731     3.9725     3.6438     0.3287
 19   0     6.1312     6.0000    -0.1312     4.0217     3.7114     0.3103
 20   0     0.9171     1.0000     0.0829     0.9850     0.9345     0.0505
 21   0     0.9235     1.0000     0.0765     0.9876     0.9360     0.0516
 22   0     0.9148     1.0000     0.0852     0.9828     0.9285     0.0543
 23   0     0.9148     1.0000     0.0852     0.9873     0.9351     0.0522
 24   0     0.9158     1.0000     0.0842     0.9867     0.9359     0.0508
 25   0     0.9152     1.0000     0.0848     0.9866     0.9302     0.0564
 26   0     0.9141     1.0000     0.0859     0.9851     0.9309     0.0542
 27   0     0.9167     1.0000     0.0833     0.9910     0.9392     0.0518
 28   0     0.9143     1.0000     0.0857     0.9905     0.9432     0.0473
 29   0     0.9172     1.0000     0.0828     0.9891     0.9387     0.0504
 30   0     6.1667     6.0000    -0.1667     4.0046     3.6863     0.3183
 31   0     6.1999     6.0000    -0.1999     4.0302     3.6978     0.3324
 32   0     6.1965     6.0000    -0.1965     3.9770     3.6487     0.3283
 33   0     6.1355     6.0000    -0.1355     4.0172     3.6983     0.3189
 34   0     6.1851     6.0000    -0.1851     4.0513     3.7285     0.3228
 35   0     0.9059     1.0000     0.0941     0.9861     0.9349     0.0512
 36   0     0.9077     1.0000     0.0923     0.9826     0.9322     0.0504
 37   0     0.9018     1.0000     0.0982     0.9795     0.9275     0.0520
 38   0     0.8994     1.0000     0.1006     0.9830     0.9310     0.0520
 39   0     0.9378     1.0000     0.0622     1.0035     0.9503     0.0532
 40   0     0.9105     1.0000     0.0895     0.9808     0.9271     0.0537
 41   0     0.9173     1.0000     0.0827     0.9892     0.9401     0.0491
 42   0     0.9035     1.0000     0.0965     0.9857     0.9354     0.0503
 43   0     0.9144     1.0000     0.0856     0.9852     0.9353     0.0499
 44   0     0.9204     1.0000     0.0796     0.9875     0.9325     0.0550
 45   0     6.2017     6.0000    -0.2017     4.0402     3.7160     0.3242
 46   0     6.1877     6.0000    -0.1877     3.9905     3.6659     0.3246
 47   0     6.1012     6.0000    -0.1012     4.0279     3.7168     0.3111
 48   0     6.2338     6.0000    -0.2338     4.0176     3.6862     0.3314
 49   0     6.1111     6.0000    -0.1111     3.9880     3.6616     0.3264
 50   0     0.9079     1.0000     0.0921     0.9791     0.9246     0.0545
 51   0     0.9115     1.0000     0.0885     0.9892     0.9428     0.0464
 52   0     0.9207     1.0000     0.0793     0.9820     0.9270     0.0550
 53   0     0.9254     1.0000     0.0746     0.9900     0.9351     0.0549
 54   0     0.9184     1.0000     0.0816     0.9886     0.9396     0.0490
 55   0     0.9207     1.0000     0.0793     0.9976     0.9492     0.0484
 56   0     0.9044     1.0000     0.0956     0.9865     0.9364     0.0501
 57   0     0.9238     1.0000     0.0762     0.9870     0.9319     0.0551
 58   0     0.9115     1.0000     0.0885     0.9881     0.9375     0.0506
 59   0     0.9223     1.0000     0.0777     0.9901     0.9344     0.0557
 60   0     6.1787     6.0000    -0.1787     4.0094     3.6933     0.3161
 61   0     6.1586     6.0000    -0.1586     4.0332     3.7236     0.3096
 62   0     6.1161     6.0000    -0.1161     3.9603     3.6489     0.3114
 63   0     6.1621     6.0000    -0.1621     4.0327     3.7166     0.3161
 64   0     6.1699     6.0000    -0.1699     4.0177     3.6941     0.3236
 65   0     0.9116     1.0000     0.0884     0.9900     0.9408     0.0492
 66   0     0.9223     1.0000     0.0777     0.9808     0.9253     0.0555
 67   0     0.9246     1.0000     0.0754     0.9876     0.9350     0.0526
 68   0     0.9124     1.0000     0.0876     0.9838     0.9337     0.0501
 69   0     0.9387     1.0000     0.0613     0.9936     0.9413     0.0523
 70   0     0.9384     1.0000     0.0616     0.9948     0.9427     0.0521
 71   0     0.9147     1.0000     0.0853     0.9937     0.9434     0.0503
 72   0     0.9229     1.0000     0.0771     0.9878     0.9370     0.0508
 73   0     0.9193     1.0000     0.0807     0.9853     0.9302     0.0551
 74   0     0.9099     1.0000     0.0901     0.9857     0.9336     0.0521
 75   0     6.1414     6.0000    -0.1414     3.9863     3.6708     0.3155
 76   0     6.2136     6.0000    -0.2136     4.0286     3.7004     0.3282
 77   0     6.1944     6.0000    -0.1944     3.9569     3.6224     0.3345
 78   0     6.1645     6.0000    -0.1645     3.9941     3.6620     0.3321
 79   0     6.1986     6.0000    -0.1986     4.0345     3.7120     0.3225
 80   0     0.9120     1.0000     0.0880     0.9830     0.9299     0.0531
 81   0     0.9054     1.0000     0.0946     0.9816     0.9297     0.0519
 82   0     0.9105     1.0000     0.0895     0.9801     0.9263     0.0538
 83   0     0.9079     1.0000     0.0921     0.9805     0.9278     0.0527
 84   0     0.9098     1.0000     0.0902     0.9812     0.9293     0.0519
 85   0     0.9198     1.0000     0.0802     0.9855     0.9285     0.0570
 86   0     0.9096     1.0000     0.0904     0.9821     0.9302     0.0519
 87   0     0.8985     1.0000     0.1015     0.9781     0.9247     0.0534
 88   0     0.9045     1.0000     0.0955     0.9816     0.9310     0.0506
 89   0     0.9073     1.0000     0.0927     0.9829     0.9297     0.0532
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.907242
                0             6               4            6                0.897593
                0             6               5            1                0.957296
                0             6               6            1                0.944359
                1             6               2            6                0.893861
                1             6               7            1                0.948797
                1             6               8            1                0.953538
                2             6               3            6                0.908111
                2             6               9            1                0.949984
                2             6              10            1                0.959207
                3             6               4            6                0.903449
                3             6              11            1                0.949250
                3             6              12            1                0.958579
                4             6              13            1                0.945877
                4             6              14            1                0.947756
               15             6              16            6                0.908613
               15             6              19            6                0.917750
               15             6              20            1                0.955443
               15             6              21            1                0.956238
               16             6              17            6                0.905695
               16             6              22            1                0.948362
               16             6              23            1                0.951381
               17             6              18            6                0.882625
               17             6              24            1                0.958397
               17             6              25            1                0.943840
               18             6              19            6                0.906049
               18             6              26            1                0.947409
               18             6              27            1                0.953762
               19             6              28            1                0.956737
               19             6              29            1                0.950677
               30             6              31            6                0.905752
               30             6              34            6                0.915080
               30             6              35            1                0.952267
               30             6              36            1                0.961371
               31             6              32            6                0.913253
               31             6              37            1                0.950526
               31             6              38            1                0.948981
               32             6              33            6                0.897159
               32             6              39            1                0.952071
               32             6              40            1                0.943774
               33             6              34            6                0.931114
               33             6              41            1                0.966867
               33             6              42            1                0.946686
               34             6              43            1                0.958287
               34             6              44            1                0.945734
               45             6              46            6                0.906185
               45             6              49            6                0.912315
               45             6              50            1                0.940809
               45             6              51            1                0.962152
               46             6              47            6                0.915055
               46             6              52            1                0.951295
               46             6              53            1                0.949483
               47             6              48            6                0.895416
               47             6              54            1                0.956166
               47             6              55            1                0.959603
               48             6              49            6                0.904845
               48             6              56            1                0.955213
               48             6              57            1                0.955482
               49             6              58            1                0.953459
               49             6              59            1                0.947418
               60             6              61            6                0.919896
               60             6              64            6                0.908109
               60             6              65            1                0.958400
               60             6              66            1                0.947479
               61             6              62            6                0.909259
               61             6              67            1                0.952885
               61             6              68            1                0.955320
               62             6              63            6                0.897962
               62             6              69            1                0.950757
               62             6              70            1                0.948560
               63             6              64            6                0.928049
               63             6              71            1                0.952921
               63             6              72            1                0.953670
               64             6              73            1                0.945740
               64             6              74            1                0.948308
               75             6              76            6                0.910151
               75             6              79            6                0.912338
               75             6              80            1                0.954090
               75             6              81            1                0.955833
               76             6              77            6                0.902499
               76             6              82            1                0.949676
               76             6              83            1                0.952123
               77             6              78            6                0.883414
               77             6              84            1                0.956607
               77             6              85            1                0.932639
               78             6              79            6                0.921467
               78             6              86            1                0.950352
               78             6              87            1                0.943625
               79             6              88            1                0.951896
               79             6              89            1                0.949234
# -----------------------------------------------------------
$ 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     6.2333     6.0000    -0.2333     3.9814     3.6618     0.3196
  1   0     6.2171     6.0000    -0.2171     3.9656     3.6547     0.3109
  2   0     6.1889     6.0000    -0.1889     3.9674     3.6578     0.3096
  3   0     6.2433     6.0000    -0.2433     4.0006     3.6865     0.3141
  4   0     6.2229     6.0000    -0.2229     3.9653     3.6390     0.3263
  5   0     0.8944     1.0000     0.1056     0.9844     0.9334     0.0510
  6   0     0.8812     1.0000     0.1188     0.9766     0.9260     0.0506
  7   0     0.8916     1.0000     0.1084     0.9741     0.9239     0.0502
  8   0     0.8895     1.0000     0.1105     0.9758     0.9230     0.0528
  9   0     0.8953     1.0000     0.1047     0.9797     0.9275     0.0522
 10   0     0.8968     1.0000     0.1032     0.9895     0.9389     0.0506
 11   0     0.8797     1.0000     0.1203     0.9764     0.9271     0.0493
 12   0     0.8873     1.0000     0.1127     0.9805     0.9318     0.0487
 13   0     0.8904     1.0000     0.1096     0.9773     0.9256     0.0517
 14   0     0.8878     1.0000     0.1122     0.9788     0.9279     0.0509
 15   0     6.2160     6.0000    -0.2160     3.9834     3.6728     0.3106
 16   0     6.2012     6.0000    -0.2012     3.9785     3.6619     0.3166
 17   0     6.2659     6.0000    -0.2659     3.9802     3.6541     0.3261
 18   0     6.2187     6.0000    -0.2187     3.9583     3.6339     0.3244
 19   0     6.1924     6.0000    -0.1924     4.0064     3.6998     0.3066
 20   0     0.8910     1.0000     0.1090     0.9780     0.9285     0.0495
 21   0     0.8958     1.0000     0.1042     0.9789     0.9284     0.0505
 22   0     0.8903     1.0000     0.1097     0.9755     0.9222     0.0533
 23   0     0.8900     1.0000     0.1100     0.9796     0.9284     0.0512
 24   0     0.8876     1.0000     0.1124     0.9759     0.9263     0.0496
 25   0     0.8880     1.0000     0.1120     0.9780     0.9229     0.0551
 26   0     0.8890     1.0000     0.1110     0.9777     0.9247     0.0530
 27   0     0.8906     1.0000     0.1094     0.9823     0.9317     0.0506
 28   0     0.8897     1.0000     0.1103     0.9834     0.9371     0.0463
 29   0     0.8907     1.0000     0.1093     0.9816     0.9322     0.0494
 30   0     6.2219     6.0000    -0.2219     3.9986     3.6843     0.3143
 31   0     6.2521     6.0000    -0.2521     4.0235     3.6956     0.3279
 32   0     6.2471     6.0000    -0.2471     3.9598     3.6363     0.3235
 33   0     6.1908     6.0000    -0.1908     3.9960     3.6809     0.3151
 34   0     6.2324     6.0000    -0.2324     4.0287     3.7104     0.3183
 35   0     0.8812     1.0000     0.1188     0.9787     0.9286     0.0501
 36   0     0.8810     1.0000     0.1190     0.9724     0.9231     0.0493
 37   0     0.8764     1.0000     0.1236     0.9735     0.9227     0.0508
 38   0     0.8754     1.0000     0.1246     0.9746     0.9238     0.0508
 39   0     0.9113     1.0000     0.0887     1.0022     0.9504     0.0518
 40   0     0.8852     1.0000     0.1148     0.9721     0.9197     0.0524
 41   0     0.8899     1.0000     0.1101     0.9827     0.9348     0.0479
 42   0     0.8805     1.0000     0.1195     0.9782     0.9289     0.0493
 43   0     0.8870     1.0000     0.1130     0.9762     0.9275     0.0487
 44   0     0.8953     1.0000     0.1047     0.9803     0.9265     0.0538
 45   0     6.2506     6.0000    -0.2506     4.0199     3.6999     0.3200
 46   0     6.2297     6.0000    -0.2297     3.9712     3.6518     0.3194
 47   0     6.1696     6.0000    -0.1696     4.0075     3.7001     0.3074
 48   0     6.2799     6.0000    -0.2799     4.0050     3.6781     0.3269
 49   0     6.1600     6.0000    -0.1600     3.9730     3.6508     0.3222
 50   0     0.8829     1.0000     0.1171     0.9741     0.9210     0.0531
 51   0     0.8856     1.0000     0.1144     0.9794     0.9341     0.0453
 52   0     0.8962     1.0000     0.1038     0.9731     0.9192     0.0539
 53   0     0.8990     1.0000     0.1010     0.9877     0.9341     0.0536
 54   0     0.8920     1.0000     0.1080     0.9767     0.9288     0.0479
 55   0     0.8900     1.0000     0.1100     0.9896     0.9426     0.0470
 56   0     0.8814     1.0000     0.1186     0.9761     0.9270     0.0491
 57   0     0.8935     1.0000     0.1065     0.9807     0.9270     0.0537
 58   0     0.8914     1.0000     0.1086     0.9812     0.9316     0.0496
 59   0     0.8978     1.0000     0.1022     0.9847     0.9302     0.0545
 60   0     6.2293     6.0000    -0.2293     3.9934     3.6815     0.3119
 61   0     6.2051     6.0000    -0.2051     3.9995     3.6940     0.3055
 62   0     6.1891     6.0000    -0.1891     3.9543     3.6468     0.3075
 63   0     6.2121     6.0000    -0.2121     4.0082     3.6961     0.3121
 64   0     6.2146     6.0000    -0.2146     3.9971     3.6778     0.3193
 65   0     0.8858     1.0000     0.1142     0.9814     0.9333     0.0481
 66   0     0.8964     1.0000     0.1036     0.9727     0.9183     0.0544
 67   0     0.8958     1.0000     0.1042     0.9789     0.9275     0.0514
 68   0     0.8885     1.0000     0.1115     0.9782     0.9291     0.0491
 69   0     0.9080     1.0000     0.0920     0.9865     0.9356     0.0509
 70   0     0.9056     1.0000     0.0944     0.9851     0.9344     0.0507
 71   0     0.8895     1.0000     0.1105     0.9887     0.9395     0.0492
 72   0     0.8973     1.0000     0.1027     0.9802     0.9304     0.0498
 73   0     0.8959     1.0000     0.1041     0.9782     0.9241     0.0541
 74   0     0.8875     1.0000     0.1125     0.9795     0.9284     0.0511
 75   0     6.1957     6.0000    -0.1957     3.9730     3.6617     0.3113
 76   0     6.2557     6.0000    -0.2557     4.0103     3.6867     0.3236
 77   0     6.2418     6.0000    -0.2418     3.9477     3.6181     0.3296
 78   0     6.2190     6.0000    -0.2190     3.9804     3.6525     0.3279
 79   0     6.2435     6.0000    -0.2435     4.0178     3.6996     0.3182
 80   0     0.8854     1.0000     0.1146     0.9740     0.9221     0.0519
 81   0     0.8819     1.0000     0.1181     0.9733     0.9224     0.0509
 82   0     0.8872     1.0000     0.1128     0.9722     0.9195     0.0527
 83   0     0.8830     1.0000     0.1170     0.9755     0.9241     0.0514
 84   0     0.8840     1.0000     0.1160     0.9730     0.9224     0.0506
 85   0     0.8938     1.0000     0.1062     0.9801     0.9245     0.0556
 86   0     0.8874     1.0000     0.1126     0.9751     0.9243     0.0508
 87   0     0.8730     1.0000     0.1270     0.9716     0.9195     0.0521
 88   0     0.8812     1.0000     0.1188     0.9730     0.9235     0.0495
 89   0     0.8837     1.0000     0.1163     0.9745     0.9224     0.0521
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.915815
                0             6               4            6                0.902742
                0             6               5            1                0.946115
                0             6               6            1                0.930549
                1             6               2            6                0.905319
                1             6               7            1                0.935468
                1             6               8            1                0.939356
                2             6               3            6                0.915829
                2             6               9            1                0.934784
                2             6              10            1                0.948201
                3             6               4            6                0.910529
                3             6              11            1                0.937146
                3             6              12            1                0.948221
                4             6              13            1                0.933690
                4             6              14            1                0.937070
               15             6              16            6                0.914492
               15             6              19            6                0.920235
               15             6              20            1                0.945285
               15             6              21            1                0.943679
               16             6              17            6                0.915775
               16             6              22            1                0.934412
               16             6              23            1                0.938922
               17             6              18            6                0.891094
               17             6              24            1                0.946838
               17             6              25            1                0.927871
               18             6              19            6                0.912715
               18             6              26            1                0.935438
               18             6              27            1                0.942202
               19             6              28            1                0.947282
               19             6              29            1                0.941328
               30             6              31            6                0.918961
               30             6              34            6                0.922541
               30             6              35            1                0.939064
               30             6              36            1                0.946252
               31             6              32            6                0.921777
               31             6              37            1                0.936519
               31             6              38            1                0.933451
               32             6              33            6                0.898511
               32             6              39            1                0.943135
               32             6              40            1                0.927546
               33             6              34            6                0.938578
               33             6              41            1                0.954426
               33             6              42            1                0.934278
               34             6              43            1                0.945464
               34             6              44            1                0.927770
               45             6              46            6                0.913342
               45             6              49            6                0.918630
               45             6              50            1                0.925883
               45             6              51            1                0.951314
               46             6              47            6                0.926634
               46             6              52            1                0.932126
               46             6              53            1                0.935400
               47             6              48            6                0.900364
               47             6              54            1                0.942638
               47             6              55            1                0.945065
               48             6              49            6                0.918297
               48             6              56            1                0.938910
               48             6              57            1                0.940669
               49             6              58            1                0.939927
               49             6              59            1                0.933909
               60             6              61            6                0.925599
               60             6              64            6                0.918350
               60             6              65            1                0.945432
               60             6              66            1                0.931848
               61             6              62            6                0.918253
               61             6              67            1                0.939205
               61             6              68            1                0.940920
               62             6              63            6                0.903495
               62             6              69            1                0.940186
               62             6              70            1                0.937925
               63             6              64            6                0.933391
               63             6              71            1                0.942856
               63             6              72            1                0.941094
               64             6              73            1                0.931117
               64             6              74            1                0.936292
               75             6              76            6                0.920017
               75             6              79            6                0.925362
               75             6              80            1                0.938949
               75             6              81            1                0.939158
               76             6              77            6                0.910149
               76             6              82            1                0.935624
               76             6              83            1                0.936759
               77             6              78            6                0.892423
               77             6              84            1                0.943528
               77             6              85            1                0.919543
               78             6              79            6                0.926548
               78             6              86            1                0.936969
               78             6              87            1                0.930740
               79             6              88            1                0.938613
               79             6              89            1                0.933221
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2027524843
        Correlation Energy:       -5.0683161746
        Total MP2 Energy:      -1176.2710686589
# -----------------------------------------------------------
$ 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) :        0.3635879069
        Electronic Contribution:
                  0    
      0      -0.147942
      1      -0.047020
      2       0.371183
        Nuclear Contribution:
                  0    
      0       0.072301
      1       0.136568
      2      -0.289202
        Total Dipole moment:
                  0    
      0      -0.075642
      1       0.089548
      2       0.081981
# -----------------------------------------------------------
$ 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) :        0.3639067455
        Electronic Contribution:
                  0    
      0      -0.149362
      1      -0.047557
      2       0.370663
        Nuclear Contribution:
                  0    
      0       0.072301
      1       0.136568
      2      -0.289202
        Total Dipole moment:
                  0    
      0      -0.077062
      1       0.089011
      2       0.081461
# -----------------------------------------------------------
$ 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) :        0.2989742325
        Electronic Contribution:
                  0    
      0      -0.148141
      1      -0.066719
      2       0.345810
        Nuclear Contribution:
                  0    
      0       0.072301
      1       0.136568
      2      -0.289202
        Total Dipole moment:
                  0    
      0      -0.075841
      1       0.069849
      2       0.056608
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     20.280000000000   17.120000000000   17.280000000000
               1 C     19.350000000000   17.480000000000   16.170000000000
               2 C     17.990000000000   16.970000000000   16.480000000000
               3 C     18.010000000000   16.090000000000   17.750000000000
               4 C     19.510000000000   16.030000000000   18.190000000000
               5 H     20.440000000000   17.890000000000   18.000000000000
               6 H     21.300000000000   16.780000000000   17.020000000000
               7 H     19.690000000000   17.080000000000   15.220000000000
               8 H     19.330000000000   18.590000000000   16.010000000000
               9 H     17.680000000000   16.330000000000   15.620000000000
              10 H     17.480000000000   17.900000000000   16.550000000000
              11 H     17.550000000000   15.120000000000   17.620000000000
              12 H     17.440000000000   16.510000000000   18.520000000000
              13 H     19.930000000000   15.040000000000   17.940000000000
              14 H     19.620000000000   16.300000000000   19.250000000000
              15 C     15.320000000000   17.590000000000   24.180000000000
              16 C     15.380000000000   17.590000000000   22.640000000000
              17 C     15.640000000000   19.040000000000   22.200000000000
              18 C     15.780000000000   19.900000000000   23.540000000000
              19 C     15.450000000000   18.990000000000   24.770000000000
              20 H     16.080000000000   16.960000000000   24.590000000000
              21 H     14.370000000000   17.160000000000   24.430000000000
              22 H     14.400000000000   17.220000000000   22.200000000000
              23 H     16.170000000000   16.890000000000   22.340000000000
              24 H     14.850000000000   19.460000000000   21.650000000000
              25 H     16.460000000000   19.130000000000   21.400000000000
              26 H     15.130000000000   20.820000000000   23.420000000000
              27 H     16.790000000000   20.240000000000   23.600000000000
              28 H     14.580000000000   19.310000000000   25.200000000000
              29 H     16.270000000000   18.960000000000   25.470000000000
              30 C     19.010000000000   20.410000000000   19.090000000000
              31 C     18.760000000000   21.350000000000   20.310000000000
              32 C     17.550000000000   22.260000000000   19.930000000000
              33 C     17.540000000000   22.260000000000   18.340000000000
              34 C     18.200000000000   20.950000000000   17.900000000000
              35 H     18.860000000000   19.360000000000   19.280000000000
              36 H     20.050000000000   20.440000000000   18.890000000000
              37 H     19.550000000000   22.050000000000   20.600000000000
              38 H     18.590000000000   20.740000000000   21.210000000000
              39 H     17.640000000000   23.220000000000   20.240000000000
              40 H     16.560000000000   21.830000000000   20.230000000000
              41 H     18.110000000000   23.080000000000   18.100000000000
              42 H     16.570000000000   22.340000000000   17.870000000000
              43 H     18.820000000000   21.150000000000   17.080000000000
              44 H     17.420000000000   20.240000000000   17.470000000000
              45 C     17.400000000000   23.180000000000   23.440000000000
              46 C     16.490000000000   24.230000000000   22.840000000000
              47 C     17.080000000000   25.600000000000   23.060000000000
              48 C     18.630000000000   25.450000000000   23.230000000000
              49 C     18.790000000000   23.960000000000   23.620000000000
              50 H     17.530000000000   22.310000000000   22.760000000000
              51 H     17.000000000000   22.940000000000   24.340000000000
              52 H     15.470000000000   24.160000000000   23.320000000000
              53 H     16.220000000000   23.990000000000   21.800000000000
              54 H     16.750000000000   25.950000000000   23.980000000000
              55 H     16.770000000000   26.330000000000   22.420000000000
              56 H     19.030000000000   26.170000000000   23.920000000000
              57 H     19.330000000000   25.580000000000   22.380000000000
              58 H     19.030000000000   23.890000000000   24.660000000000
              59 H     19.500000000000   23.510000000000   22.860000000000
              60 C     23.650000000000   25.210000000000   19.310000000000
              61 C     22.600000000000   24.240000000000   19.760000000000
              62 C     21.280000000000   24.670000000000   19.250000000000
              63 C     21.490000000000   25.620000000000   18.100000000000
              64 C     23.000000000000   26.020000000000   18.200000000000
              65 H     24.560000000000   24.770000000000   19.020000000000
              66 H     23.970000000000   25.910000000000   20.160000000000
              67 H     22.560000000000   24.270000000000   20.850000000000
              68 H     22.810000000000   23.230000000000   19.480000000000
              69 H     20.710000000000   25.210000000000   19.980000000000
              70 H     20.730000000000   23.810000000000   18.900000000000
              71 H     20.790000000000   26.420000000000   18.190000000000
              72 H     21.340000000000   25.060000000000   17.200000000000
              73 H     23.030000000000   27.120000000000   18.500000000000
              74 H     23.590000000000   25.820000000000   17.290000000000
              75 C     15.550000000000   27.140000000000   19.490000000000
              76 C     16.330000000000   25.890000000000   19.140000000000
              77 C     17.810000000000   26.170000000000   19.540000000000
              78 C     17.890000000000   27.610000000000   20.200000000000
              79 C     16.450000000000   28.230000000000   20.030000000000
              80 H     14.790000000000   26.820000000000   20.210000000000
              81 H     14.910000000000   27.500000000000   18.670000000000
              82 H     16.270000000000   25.710000000000   18.030000000000
              83 H     15.960000000000   24.970000000000   19.620000000000
              84 H     18.340000000000   26.170000000000   18.590000000000
              85 H     18.270000000000   25.380000000000   20.190000000000
              86 H     18.630000000000   28.140000000000   19.600000000000
              87 H     18.220000000000   27.620000000000   21.280000000000
              88 H     16.490000000000   29.080000000000   19.370000000000
              89 H     16.180000000000   28.690000000000   21.010000000000
