-------------------------------------------------------------
----------------------- !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:    -1171.1886012089
# -----------------------------------------------------------
$ 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     6.1564     6.0000    -0.1564     3.8705     3.8705     0.0000
  1   0     6.1955     6.0000    -0.1955     3.8995     3.8995    -0.0000
  2   0     6.0866     6.0000    -0.0866     3.8623     3.8623     0.0000
  3   0     6.1804     6.0000    -0.1804     3.9258     3.9258     0.0000
  4   0     6.1755     6.0000    -0.1755     3.8794     3.8794    -0.0000
  5   0     0.9050     1.0000     0.0950     0.9724     0.9724     0.0000
  6   0     0.9514     1.0000     0.0486     0.9903     0.9903     0.0000
  7   0     0.9069     1.0000     0.0931     0.9655     0.9655    -0.0000
  8   0     0.9144     1.0000     0.0856     0.9755     0.9755    -0.0000
  9   0     0.9831     1.0000     0.0169     1.0120     1.0120     0.0000
 10   0     0.9034     1.0000     0.0966     0.9747     0.9747     0.0000
 11   0     0.9068     1.0000     0.0932     0.9697     0.9697     0.0000
 12   0     0.9108     1.0000     0.0892     0.9725     0.9725     0.0000
 13   0     0.9149     1.0000     0.0851     0.9776     0.9776    -0.0000
 14   0     0.9211     1.0000     0.0789     0.9754     0.9754    -0.0000
 15   0     6.1764     6.0000    -0.1764     3.8641     3.8641    -0.0000
 16   0     6.1376     6.0000    -0.1376     3.8847     3.8847    -0.0000
 17   0     6.1575     6.0000    -0.1575     3.9227     3.9227     0.0000
 18   0     6.1346     6.0000    -0.1346     3.8757     3.8757     0.0000
 19   0     6.1957     6.0000    -0.1957     3.8932     3.8932     0.0000
 20   0     0.9391     1.0000     0.0609     0.9821     0.9821    -0.0000
 21   0     0.9089     1.0000     0.0911     0.9735     0.9735    -0.0000
 22   0     0.9133     1.0000     0.0867     0.9791     0.9791     0.0000
 23   0     0.9208     1.0000     0.0792     0.9769     0.9769    -0.0000
 24   0     0.9159     1.0000     0.0841     0.9808     0.9808     0.0000
 25   0     0.9199     1.0000     0.0801     0.9785     0.9785     0.0000
 26   0     0.9260     1.0000     0.0740     0.9767     0.9767    -0.0000
 27   0     0.9207     1.0000     0.0793     0.9778     0.9778     0.0000
 28   0     0.9050     1.0000     0.0950     0.9754     0.9754     0.0000
 29   0     0.9281     1.0000     0.0719     0.9789     0.9789     0.0000
 30   0     6.1836     6.0000    -0.1836     3.9325     3.9325     0.0000
 31   0     6.1395     6.0000    -0.1395     3.8688     3.8688    -0.0000
 32   0     6.1545     6.0000    -0.1545     3.9322     3.9322    -0.0000
 33   0     6.1791     6.0000    -0.1791     3.8657     3.8657     0.0000
 34   0     6.1524     6.0000    -0.1524     3.8883     3.8883     0.0000
 35   0     0.9279     1.0000     0.0721     0.9745     0.9745     0.0000
 36   0     0.9024     1.0000     0.0976     0.9769     0.9769    -0.0000
 37   0     0.9413     1.0000     0.0587     0.9888     0.9888    -0.0000
 38   0     0.9056     1.0000     0.0944     0.9750     0.9750    -0.0000
 39   0     0.9380     1.0000     0.0620     0.9788     0.9788    -0.0000
 40   0     0.9030     1.0000     0.0970     0.9752     0.9752    -0.0000
 41   0     0.9116     1.0000     0.0884     0.9719     0.9719     0.0000
 42   0     0.9259     1.0000     0.0741     0.9699     0.9699    -0.0000
 43   0     0.9106     1.0000     0.0894     0.9743     0.9743     0.0000
 44   0     0.9192     1.0000     0.0808     0.9803     0.9803     0.0000
 45   0     6.1709     6.0000    -0.1709     3.8890     3.8890     0.0000
 46   0     6.1802     6.0000    -0.1802     3.8784     3.8784     0.0000
 47   0     6.1285     6.0000    -0.1285     3.8933     3.8933    -0.0000
 48   0     6.1934     6.0000    -0.1934     3.8810     3.8810    -0.0000
 49   0     6.2052     6.0000    -0.2052     3.8692     3.8692    -0.0000
 50   0     0.9067     1.0000     0.0933     0.9734     0.9734     0.0000
 51   0     0.9101     1.0000     0.0899     0.9740     0.9740     0.0000
 52   0     0.9081     1.0000     0.0919     0.9771     0.9771     0.0000
 53   0     0.9098     1.0000     0.0902     0.9707     0.9707    -0.0000
 54   0     0.9045     1.0000     0.0955     0.9683     0.9683    -0.0000
 55   0     0.9118     1.0000     0.0882     0.9735     0.9735    -0.0000
 56   0     0.9225     1.0000     0.0775     0.9827     0.9827     0.0000
 57   0     0.9095     1.0000     0.0905     0.9727     0.9727     0.0000
 58   0     0.9176     1.0000     0.0824     0.9781     0.9781    -0.0000
 59   0     0.9139     1.0000     0.0861     0.9757     0.9757    -0.0000
 60   0     6.1048     6.0000    -0.1048     3.8611     3.8611    -0.0000
 61   0     6.1685     6.0000    -0.1685     3.9191     3.9191    -0.0000
 62   0     6.1266     6.0000    -0.1266     3.8909     3.8909    -0.0000
 63   0     6.2060     6.0000    -0.2060     3.9025     3.9025     0.0000
 64   0     6.1593     6.0000    -0.1593     3.8790     3.8790    -0.0000
 65   0     0.9296     1.0000     0.0704     0.9765     0.9765     0.0000
 66   0     0.9646     1.0000     0.0354     1.0018     1.0018    -0.0000
 67   0     0.9083     1.0000     0.0917     0.9799     0.9799    -0.0000
 68   0     0.9225     1.0000     0.0775     0.9766     0.9766     0.0000
 69   0     0.9186     1.0000     0.0814     0.9779     0.9779    -0.0000
 70   0     0.9225     1.0000     0.0775     0.9841     0.9841    -0.0000
 71   0     0.9273     1.0000     0.0727     0.9762     0.9762     0.0000
 72   0     0.9071     1.0000     0.0929     0.9730     0.9730    -0.0000
 73   0     0.9190     1.0000     0.0810     0.9780     0.9780    -0.0000
 74   0     0.9198     1.0000     0.0802     0.9825     0.9825    -0.0000
 75   0     6.1576     6.0000    -0.1576     3.8431     3.8431    -0.0000
 76   0     6.1706     6.0000    -0.1706     3.8825     3.8825    -0.0000
 77   0     6.1359     6.0000    -0.1359     3.8894     3.8894     0.0000
 78   0     6.1870     6.0000    -0.1870     3.8970     3.8970    -0.0000
 79   0     6.1719     6.0000    -0.1719     3.8871     3.8871    -0.0000
 80   0     0.9296     1.0000     0.0704     0.9746     0.9746    -0.0000
 81   0     0.9262     1.0000     0.0738     0.9768     0.9768    -0.0000
 82   0     0.9299     1.0000     0.0701     0.9802     0.9802     0.0000
 83   0     0.9219     1.0000     0.0781     0.9798     0.9798    -0.0000
 84   0     0.9280     1.0000     0.0720     0.9778     0.9778    -0.0000
 85   0     0.8987     1.0000     0.1013     0.9725     0.9725     0.0000
 86   0     0.8945     1.0000     0.1055     0.9628     0.9628    -0.0000
 87   0     0.9159     1.0000     0.0841     0.9799     0.9799    -0.0000
 88   0     0.9230     1.0000     0.0770     0.9799     0.9799    -0.0000
 89   0     0.9060     1.0000     0.0940     0.9716     0.9716    -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                0.968121
                0             6               4            6                0.954007
                0             6               5            1                0.991784
                0             6               6            1                0.997804
                1             6               2            6                0.953656
                1             6               7            1                0.995393
                1             6               8            1                0.988575
                2             6               3            6                0.962064
                2             6               9            1                1.005631
                2             6              10            1                0.984794
                3             6               4            6                0.982517
                3             6              11            1                0.984125
                3             6              12            1                0.995721
                4             6              13            1                0.981512
                4             6              14            1                0.999183
               15             6              16            6                0.935320
               15             6              19            6                0.969899
               15             6              20            1                1.007021
               15             6              21            1                0.990838
               16             6              17            6                0.987455
               16             6              22            1                0.990573
               16             6              23            1                0.995014
               17             6              18            6                0.976146
               17             6              24            1                0.991722
               17             6              25            1                0.995905
               18             6              19            6                0.960293
               18             6              26            1                0.993964
               18             6              27            1                0.993776
               19             6              28            1                0.984146
               19             6              29            1                1.003173
               30             6              31            6                0.951249
               30             6              34            6                1.000140
               30             6              35            1                0.989147
               30             6              36            1                0.995891
               31             6              32            6                0.979241
               31             6              37            1                1.011587
               31             6              38            1                0.983913
               32             6              33            6                0.971692
               32             6              39            1                0.998739
               32             6              40            1                0.986039
               33             6              34            6                0.945043
               33             6              41            1                0.996433
               33             6              42            1                1.000860
               34             6              43            1                0.985905
               34             6              44            1                0.985983
               45             6              46            6                0.965916
               45             6              49            6                0.963891
               45             6              50            1                0.987557
               45             6              51            1                0.996073
               46             6              47            6                0.972907
               46             6              52            1                0.994000
               46             6              53            1                0.991576
               47             6              48            6                0.958422
               47             6              54            1                0.998607
               47             6              55            1                0.984862
               48             6              49            6                0.956904
               48             6              56            1                0.997473
               48             6              57            1                0.990332
               49             6              58            1                0.995265
               49             6              59            1                0.994106
               60             6              61            6                0.959013
               60             6              64            6                0.958751
               60             6              65            1                1.002575
               60             6              66            1                0.996497
               61             6              62            6                0.976786
               61             6              67            1                0.992882
               61             6              68            1                1.003295
               62             6              63            6                0.968637
               62             6              69            1                0.991091
               62             6              70            1                0.991560
               63             6              64            6                0.965507
               63             6              71            1                1.002506
               63             6              72            1                0.988339
               64             6              73            1                0.989640
               64             6              74            1                0.993256
               75             6              76            6                0.955861
               75             6              79            6                0.951215
               75             6              80            1                0.997452
               75             6              81            1                0.994913
               76             6              77            6                0.964647
               76             6              82            1                0.995056
               76             6              83            1                0.997790
               77             6              78            6                0.979185
               77             6              84            1                0.989115
               77             6              85            1                0.983847
               78             6              79            6                0.973724
               78             6              86            1                0.977987
               78             6              87            1                0.991636
               79             6              88            1                0.996682
               79             6              89            1                0.992876
# -----------------------------------------------------------
$ 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     6.1641     6.0000    -0.1641     3.9804     3.6542     0.3262
  1   0     6.2038     6.0000    -0.2038     4.0130     3.6846     0.3284
  2   0     6.0933     6.0000    -0.0933     3.9666     3.6436     0.3230
  3   0     6.1888     6.0000    -0.1888     4.0366     3.7098     0.3268
  4   0     6.1826     6.0000    -0.1826     3.9900     3.6624     0.3276
  5   0     0.9011     1.0000     0.0989     0.9812     0.9308     0.0504
  6   0     0.9477     1.0000     0.0523     1.0013     0.9455     0.0558
  7   0     0.9029     1.0000     0.0971     0.9745     0.9234     0.0511
  8   0     0.9104     1.0000     0.0896     0.9850     0.9321     0.0529
  9   0     0.9796     1.0000     0.0204     1.0241     0.9632     0.0609
 10   0     0.8993     1.0000     0.1007     0.9833     0.9315     0.0518
 11   0     0.9031     1.0000     0.0969     0.9788     0.9223     0.0565
 12   0     0.9067     1.0000     0.0933     0.9816     0.9301     0.0515
 13   0     0.9114     1.0000     0.0886     0.9876     0.9326     0.0550
 14   0     0.9171     1.0000     0.0829     0.9849     0.9312     0.0537
 15   0     6.1843     6.0000    -0.1843     3.9774     3.6525     0.3249
 16   0     6.1457     6.0000    -0.1457     3.9930     3.6738     0.3192
 17   0     6.1646     6.0000    -0.1646     4.0286     3.7130     0.3156
 18   0     6.1430     6.0000    -0.1430     3.9844     3.6625     0.3219
 19   0     6.2028     6.0000    -0.2028     4.0042     3.6809     0.3233
 20   0     0.9354     1.0000     0.0646     0.9929     0.9401     0.0528
 21   0     0.9049     1.0000     0.0951     0.9825     0.9303     0.0522
 22   0     0.9095     1.0000     0.0905     0.9883     0.9376     0.0507
 23   0     0.9170     1.0000     0.0830     0.9861     0.9344     0.0517
 24   0     0.9122     1.0000     0.0878     0.9902     0.9402     0.0500
 25   0     0.9161     1.0000     0.0839     0.9881     0.9372     0.0509
 26   0     0.9222     1.0000     0.0778     0.9865     0.9322     0.0543
 27   0     0.9168     1.0000     0.0832     0.9871     0.9375     0.0496
 28   0     0.9014     1.0000     0.0986     0.9846     0.9323     0.0523
 29   0     0.9242     1.0000     0.0758     0.9885     0.9359     0.0526
 30   0     6.1922     6.0000    -0.1922     4.0436     3.7198     0.3238
 31   0     6.1473     6.0000    -0.1473     3.9795     3.6557     0.3238
 32   0     6.1620     6.0000    -0.1620     4.0380     3.7238     0.3142
 33   0     6.1881     6.0000    -0.1881     3.9812     3.6558     0.3254
 34   0     6.1592     6.0000    -0.1592     3.9968     3.6757     0.3211
 35   0     0.9239     1.0000     0.0761     0.9845     0.9305     0.0540
 36   0     0.8984     1.0000     0.1016     0.9856     0.9357     0.0499
 37   0     0.9373     1.0000     0.0627     0.9994     0.9462     0.0532
 38   0     0.9017     1.0000     0.0983     0.9842     0.9322     0.0520
 39   0     0.9340     1.0000     0.0660     0.9888     0.9370     0.0518
 40   0     0.8993     1.0000     0.1007     0.9841     0.9362     0.0479
 41   0     0.9073     1.0000     0.0927     0.9808     0.9301     0.0507
 42   0     0.9219     1.0000     0.0781     0.9799     0.9261     0.0538
 43   0     0.9067     1.0000     0.0933     0.9837     0.9321     0.0516
 44   0     0.9150     1.0000     0.0850     0.9896     0.9370     0.0526
 45   0     6.1794     6.0000    -0.1794     4.0018     3.6705     0.3313
 46   0     6.1880     6.0000    -0.1880     3.9906     3.6662     0.3244
 47   0     6.1378     6.0000    -0.1378     4.0043     3.6824     0.3219
 48   0     6.2001     6.0000    -0.2001     3.9929     3.6654     0.3275
 49   0     6.2121     6.0000    -0.2121     3.9837     3.6523     0.3314
 50   0     0.9028     1.0000     0.0972     0.9823     0.9298     0.0525
 51   0     0.9063     1.0000     0.0937     0.9834     0.9331     0.0503
 52   0     0.9042     1.0000     0.0958     0.9860     0.9339     0.0521
 53   0     0.9058     1.0000     0.0942     0.9800     0.9292     0.0508
 54   0     0.9006     1.0000     0.0994     0.9774     0.9292     0.0482
 55   0     0.9075     1.0000     0.0925     0.9825     0.9307     0.0518
 56   0     0.9186     1.0000     0.0814     0.9923     0.9402     0.0521
 57   0     0.9056     1.0000     0.0944     0.9820     0.9282     0.0538
 58   0     0.9141     1.0000     0.0859     0.9882     0.9351     0.0531
 59   0     0.9099     1.0000     0.0901     0.9850     0.9326     0.0524
 60   0     6.1125     6.0000    -0.1125     3.9659     3.6521     0.3138
 61   0     6.1761     6.0000    -0.1761     4.0266     3.7126     0.3140
 62   0     6.1340     6.0000    -0.1340     3.9966     3.6829     0.3137
 63   0     6.2137     6.0000    -0.2137     4.0141     3.6891     0.3250
 64   0     6.1665     6.0000    -0.1665     3.9882     3.6680     0.3202
 65   0     0.9256     1.0000     0.0744     0.9860     0.9319     0.0541
 66   0     0.9614     1.0000     0.0386     1.0136     0.9597     0.0539
 67   0     0.9045     1.0000     0.0955     0.9889     0.9409     0.0480
 68   0     0.9186     1.0000     0.0814     0.9863     0.9349     0.0514
 69   0     0.9148     1.0000     0.0852     0.9874     0.9382     0.0492
 70   0     0.9188     1.0000     0.0812     0.9937     0.9437     0.0500
 71   0     0.9235     1.0000     0.0765     0.9861     0.9350     0.0511
 72   0     0.9035     1.0000     0.0965     0.9823     0.9316     0.0507
 73   0     0.9150     1.0000     0.0850     0.9875     0.9358     0.0517
 74   0     0.9160     1.0000     0.0840     0.9921     0.9412     0.0509
 75   0     6.1653     6.0000    -0.1653     3.9519     3.6388     0.3131
 76   0     6.1775     6.0000    -0.1775     3.9910     3.6756     0.3154
 77   0     6.1440     6.0000    -0.1440     3.9985     3.6730     0.3255
 78   0     6.1950     6.0000    -0.1950     4.0102     3.6772     0.3330
 79   0     6.1796     6.0000    -0.1796     3.9971     3.6751     0.3220
 80   0     0.9257     1.0000     0.0743     0.9845     0.9320     0.0525
 81   0     0.9223     1.0000     0.0777     0.9866     0.9332     0.0534
 82   0     0.9265     1.0000     0.0735     0.9908     0.9384     0.0524
 83   0     0.9179     1.0000     0.0821     0.9893     0.9387     0.0506
 84   0     0.9242     1.0000     0.0758     0.9876     0.9307     0.0569
 85   0     0.8949     1.0000     0.1051     0.9813     0.9317     0.0496
 86   0     0.8906     1.0000     0.1094     0.9714     0.9194     0.0520
 87   0     0.9118     1.0000     0.0882     0.9892     0.9370     0.0522
 88   0     0.9192     1.0000     0.0808     0.9894     0.9388     0.0506
 89   0     0.9021     1.0000     0.0979     0.9806     0.9300     0.0506
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.903641
                0             6               4            6                0.889340
                0             6               5            1                0.951413
                0             6               6            1                0.954181
                1             6               2            6                0.890012
                1             6               7            1                0.954246
                1             6               8            1                0.946574
                2             6               3            6                0.900084
                2             6               9            1                0.957922
                2             6              10            1                0.943152
                3             6               4            6                0.920013
                3             6              11            1                0.938225
                3             6              12            1                0.954480
                4             6              13            1                0.938089
                4             6              14            1                0.955956
               15             6              16            6                0.871978
               15             6              19            6                0.907979
               15             6              20            1                0.965564
               15             6              21            1                0.948753
               16             6              17            6                0.925119
               16             6              22            1                0.950500
               16             6              23            1                0.953704
               17             6              18            6                0.911464
               17             6              24            1                0.952465
               17             6              25            1                0.955731
               18             6              19            6                0.896783
               18             6              26            1                0.950680
               18             6              27            1                0.954736
               19             6              28            1                0.942495
               19             6              29            1                0.960989
               30             6              31            6                0.888195
               30             6              34            6                0.937078
               30             6              35            1                0.946443
               30             6              36            1                0.956043
               31             6              32            6                0.914994
               31             6              37            1                0.969524
               31             6              38            1                0.942557
               32             6              33            6                0.910148
               32             6              39            1                0.957952
               32             6              40            1                0.948647
               33             6              34            6                0.882391
               33             6              41            1                0.955814
               33             6              42            1                0.957994
               34             6              43            1                0.945082
               34             6              44            1                0.943611
               45             6              46            6                0.900955
               45             6              49            6                0.896056
               45             6              50            1                0.945393
               45             6              51            1                0.956218
               46             6              47            6                0.910722
               46             6              52            1                0.952168
               46             6              53            1                0.951178
               47             6              48            6                0.893684
               47             6              54            1                0.960262
               47             6              55            1                0.943463
               48             6              49            6                0.894480
               48             6              56            1                0.956057
               48             6              57            1                0.947099
               49             6              58            1                0.953401
               49             6              59            1                0.952085
               60             6              61            6                0.898025
               60             6              64            6                0.898028
               60             6              65            1                0.958842
               60             6              66            1                0.955936
               61             6              62            6                0.913500
               61             6              67            1                0.955210
               61             6              68            1                0.962538
               62             6              63            6                0.904684
               62             6              69            1                0.952597
               62             6              70            1                0.952573
               63             6              64            6                0.899666
               63             6              71            1                0.961980
               63             6              72            1                0.948308
               64             6              73            1                0.948641
               64             6              74            1                0.953037
               75             6              76            6                0.897214
               75             6              79            6                0.891483
               75             6              80            1                0.956073
               75             6              81            1                0.952674
               76             6              77            6                0.900717
               76             6              82            1                0.954490
               76             6              83            1                0.957862
               77             6              78            6                0.915528
               77             6              84            1                0.943388
               77             6              85            1                0.944606
               78             6              79            6                0.905039
               78             6              86            1                0.936061
               78             6              87            1                0.949969
               79             6              88            1                0.956708
               79             6              89            1                0.952638
# -----------------------------------------------------------
$ 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     6.2191     6.0000    -0.2191     3.9599     3.6378     0.3221
  1   0     6.2488     6.0000    -0.2488     3.9938     3.6698     0.3240
  2   0     6.1526     6.0000    -0.1526     3.9594     3.6405     0.3189
  3   0     6.2326     6.0000    -0.2326     4.0210     3.6989     0.3221
  4   0     6.2281     6.0000    -0.2281     3.9748     3.6518     0.3230
  5   0     0.8776     1.0000     0.1224     0.9726     0.9232     0.0494
  6   0     0.9150     1.0000     0.0850     0.9944     0.9400     0.0544
  7   0     0.8798     1.0000     0.1202     0.9713     0.9214     0.0499
  8   0     0.8872     1.0000     0.1128     0.9762     0.9244     0.0518
  9   0     0.9409     1.0000     0.0591     1.0161     0.9569     0.0592
 10   0     0.8801     1.0000     0.1199     0.9762     0.9254     0.0508
 11   0     0.8816     1.0000     0.1184     0.9747     0.9193     0.0554
 12   0     0.8851     1.0000     0.1149     0.9733     0.9227     0.0506
 13   0     0.8893     1.0000     0.1107     0.9857     0.9319     0.0538
 14   0     0.8909     1.0000     0.1091     0.9746     0.9220     0.0526
 15   0     6.2441     6.0000    -0.2441     3.9686     3.6479     0.3207
 16   0     6.1995     6.0000    -0.1995     3.9806     3.6652     0.3154
 17   0     6.2160     6.0000    -0.2160     4.0050     3.6931     0.3119
 18   0     6.1975     6.0000    -0.1975     3.9663     3.6484     0.3179
 19   0     6.2441     6.0000    -0.2441     3.9790     3.6601     0.3189
 20   0     0.9038     1.0000     0.0962     0.9835     0.9321     0.0514
 21   0     0.8776     1.0000     0.1224     0.9734     0.9224     0.0510
 22   0     0.8860     1.0000     0.1140     0.9804     0.9307     0.0497
 23   0     0.8924     1.0000     0.1076     0.9794     0.9287     0.0507
 24   0     0.8869     1.0000     0.1131     0.9818     0.9329     0.0489
 25   0     0.8905     1.0000     0.1095     0.9796     0.9298     0.0498
 26   0     0.8969     1.0000     0.1031     0.9786     0.9254     0.0532
 27   0     0.8914     1.0000     0.1086     0.9806     0.9320     0.0486
 28   0     0.8788     1.0000     0.1212     0.9781     0.9268     0.0513
 29   0     0.8949     1.0000     0.1051     0.9801     0.9287     0.0514
 30   0     6.2401     6.0000    -0.2401     4.0201     3.7007     0.3194
 31   0     6.2028     6.0000    -0.2028     3.9555     3.6357     0.3198
 32   0     6.2163     6.0000    -0.2163     4.0030     3.6927     0.3103
 33   0     6.2411     6.0000    -0.2411     3.9561     3.6349     0.3212
 34   0     6.2069     6.0000    -0.2069     3.9838     3.6670     0.3168
 35   0     0.8975     1.0000     0.1025     0.9786     0.9259     0.0527
 36   0     0.8760     1.0000     0.1240     0.9798     0.9310     0.0488
 37   0     0.9052     1.0000     0.0948     0.9884     0.9366     0.0518
 38   0     0.8785     1.0000     0.1215     0.9802     0.9295     0.0507
 39   0     0.9046     1.0000     0.0954     0.9806     0.9300     0.0506
 40   0     0.8761     1.0000     0.1239     0.9821     0.9352     0.0469
 41   0     0.8801     1.0000     0.1199     0.9712     0.9218     0.0494
 42   0     0.8932     1.0000     0.1068     0.9734     0.9210     0.0524
 43   0     0.8860     1.0000     0.1140     0.9792     0.9287     0.0505
 44   0     0.8906     1.0000     0.1094     0.9822     0.9310     0.0512
 45   0     6.2321     6.0000    -0.2321     3.9842     3.6569     0.3273
 46   0     6.2325     6.0000    -0.2325     3.9730     3.6529     0.3201
 47   0     6.2052     6.0000    -0.2052     3.9962     3.6782     0.3180
 48   0     6.2398     6.0000    -0.2398     3.9696     3.6467     0.3229
 49   0     6.2567     6.0000    -0.2567     3.9694     3.6426     0.3268
 50   0     0.8814     1.0000     0.1186     0.9752     0.9237     0.0515
 51   0     0.8815     1.0000     0.1185     0.9780     0.9288     0.0492
 52   0     0.8787     1.0000     0.1213     0.9771     0.9261     0.0510
 53   0     0.8836     1.0000     0.1164     0.9719     0.9221     0.0498
 54   0     0.8751     1.0000     0.1249     0.9746     0.9277     0.0469
 55   0     0.8856     1.0000     0.1144     0.9756     0.9248     0.0508
 56   0     0.8900     1.0000     0.1100     0.9847     0.9339     0.0508
 57   0     0.8819     1.0000     0.1181     0.9743     0.9216     0.0527
 58   0     0.8868     1.0000     0.1132     0.9811     0.9293     0.0518
 59   0     0.8840     1.0000     0.1160     0.9754     0.9241     0.0513
 60   0     6.1798     6.0000    -0.1798     3.9563     3.6465     0.3098
 61   0     6.2218     6.0000    -0.2218     3.9962     3.6860     0.3102
 62   0     6.1892     6.0000    -0.1892     3.9800     3.6699     0.3101
 63   0     6.2631     6.0000    -0.2631     3.9889     3.6677     0.3212
 64   0     6.2107     6.0000    -0.2107     3.9694     3.6535     0.3159
 65   0     0.8971     1.0000     0.1029     0.9765     0.9236     0.0529
 66   0     0.9307     1.0000     0.0693     1.0117     0.9591     0.0526
 67   0     0.8809     1.0000     0.1191     0.9820     0.9350     0.0470
 68   0     0.8928     1.0000     0.1072     0.9767     0.9263     0.0504
 69   0     0.8903     1.0000     0.1097     0.9808     0.9326     0.0482
 70   0     0.8930     1.0000     0.1070     0.9843     0.9354     0.0489
 71   0     0.8932     1.0000     0.1068     0.9757     0.9257     0.0500
 72   0     0.8788     1.0000     0.1212     0.9753     0.9256     0.0497
 73   0     0.8916     1.0000     0.1084     0.9831     0.9326     0.0505
 74   0     0.8924     1.0000     0.1076     0.9854     0.9355     0.0499
 75   0     6.2152     6.0000    -0.2152     3.9306     3.6219     0.3087
 76   0     6.2347     6.0000    -0.2347     3.9737     3.6623     0.3114
 77   0     6.1945     6.0000    -0.1945     3.9892     3.6679     0.3213
 78   0     6.2392     6.0000    -0.2392     3.9997     3.6710     0.3287
 79   0     6.2242     6.0000    -0.2242     3.9721     3.6541     0.3180
 80   0     0.8977     1.0000     0.1023     0.9762     0.9249     0.0513
 81   0     0.8943     1.0000     0.1057     0.9795     0.9274     0.0521
 82   0     0.8958     1.0000     0.1042     0.9812     0.9302     0.0510
 83   0     0.8909     1.0000     0.1091     0.9805     0.9311     0.0494
 84   0     0.8985     1.0000     0.1015     0.9796     0.9238     0.0558
 85   0     0.8755     1.0000     0.1245     0.9765     0.9278     0.0487
 86   0     0.8703     1.0000     0.1297     0.9713     0.9203     0.0510
 87   0     0.8910     1.0000     0.1090     0.9797     0.9284     0.0513
 88   0     0.8930     1.0000     0.1070     0.9820     0.9325     0.0495
 89   0     0.8806     1.0000     0.1194     0.9750     0.9254     0.0496
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.906697
                0             6               4            6                0.897116
                0             6               5            1                0.938777
                0             6               6            1                0.940661
                1             6               2            6                0.903225
                1             6               7            1                0.943507
                1             6               8            1                0.931449
                2             6               3            6                0.914155
                2             6               9            1                0.942557
                2             6              10            1                0.927981
                3             6               4            6                0.930686
                3             6              11            1                0.922111
                3             6              12            1                0.939284
                4             6              13            1                0.924321
                4             6              14            1                0.941792
               15             6              16            6                0.882457
               15             6              19            6                0.912823
               15             6              20            1                0.956698
               15             6              21            1                0.934532
               16             6              17            6                0.931481
               16             6              22            1                0.936848
               16             6              23            1                0.942371
               17             6              18            6                0.916528
               17             6              24            1                0.941181
               17             6              25            1                0.944043
               18             6              19            6                0.903169
               18             6              26            1                0.935250
               18             6              27            1                0.945817
               19             6              28            1                0.929398
               19             6              29            1                0.950378
               30             6              31            6                0.899287
               30             6              34            6                0.939578
               30             6              35            1                0.933271
               30             6              36            1                0.942604
               31             6              32            6                0.913690
               31             6              37            1                0.956234
               31             6              38            1                0.927500
               32             6              33            6                0.911861
               32             6              39            1                0.945668
               32             6              40            1                0.936513
               33             6              34            6                0.894026
               33             6              41            1                0.940700
               33             6              42            1                0.944295
               34             6              43            1                0.935865
               34             6              44            1                0.929325
               45             6              46            6                0.906098
               45             6              49            6                0.901229
               45             6              50            1                0.930695
               45             6              51            1                0.945895
               46             6              47            6                0.920770
               46             6              52            1                0.937953
               46             6              53            1                0.937323
               47             6              48            6                0.897611
               47             6              54            1                0.951824
               47             6              55            1                0.928215
               48             6              49            6                0.905827
               48             6              56            1                0.943960
               48             6              57            1                0.931865
               49             6              58            1                0.941445
               49             6              59            1                0.938352
               60             6              61            6                0.904755
               60             6              64            6                0.911860
               60             6              65            1                0.944099
               60             6              66            1                0.943183
               61             6              62            6                0.918592
               61             6              67            1                0.943971
               61             6              68            1                0.947415
               62             6              63            6                0.909862
               62             6              69            1                0.943404
               62             6              70            1                0.940413
               63             6              64            6                0.899440
               63             6              71            1                0.950719
               63             6              72            1                0.937483
               64             6              73            1                0.938172
               64             6              74            1                0.942853
               75             6              76            6                0.904408
               75             6              79            6                0.899379
               75             6              80            1                0.943136
               75             6              81            1                0.938949
               76             6              77            6                0.908858
               76             6              82            1                0.943625
               76             6              83            1                0.943992
               77             6              78            6                0.929154
               77             6              84            1                0.928259
               77             6              85            1                0.934477
               78             6              79            6                0.906266
               78             6              86            1                0.925141
               78             6              87            1                0.935346
               79             6              88            1                0.947146
               79             6              89            1                0.939648
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1886012089
        Correlation Energy:       -5.0674792024
        Total MP2 Energy:      -1176.2560804112
# -----------------------------------------------------------
$ 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) :        0.2553577575
        Electronic Contribution:
                  0    
      0       0.164167
      1      -0.109484
      2       0.474242
        Nuclear Contribution:
                  0    
      0      -0.232968
      1       0.096401
      2      -0.546271
        Total Dipole moment:
                  0    
      0      -0.068802
      1      -0.013083
      2      -0.072028
# -----------------------------------------------------------
$ 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) :        0.2574132431
        Electronic Contribution:
                  0    
      0       0.163649
      1      -0.109177
      2       0.473555
        Nuclear Contribution:
                  0    
      0      -0.232968
      1       0.096401
      2      -0.546271
        Total Dipole moment:
                  0    
      0      -0.069320
      1      -0.012776
      2      -0.072716
# -----------------------------------------------------------
$ 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) :        0.2194087347
        Electronic Contribution:
                  0    
      0       0.170268
      1      -0.096032
      2       0.486944
        Nuclear Contribution:
                  0    
      0      -0.232968
      1       0.096401
      2      -0.546271
        Total Dipole moment:
                  0    
      0      -0.062701
      1       0.000368
      2      -0.059327
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     13.520000000000   16.160000000000   14.550000000000
               1 C     13.760000000000   17.660000000000   14.190000000000
               2 C     15.230000000000   17.790000000000   13.670000000000
               3 C     15.940000000000   16.450000000000   13.840000000000
               4 C     14.930000000000   15.480000000000   14.470000000000
               5 H     12.760000000000   15.680000000000   13.950000000000
               6 H     13.110000000000   16.090000000000   15.570000000000
               7 H     13.520000000000   18.290000000000   15.030000000000
               8 H     13.010000000000   17.930000000000   13.420000000000
               9 H     15.770000000000   18.510000000000   14.370000000000
              10 H     15.300000000000   18.230000000000   12.650000000000
              11 H     16.950000000000   16.550000000000   14.430000000000
              12 H     16.180000000000   16.030000000000   12.860000000000
              13 H     15.170000000000   15.000000000000   15.460000000000
              14 H     14.750000000000   14.670000000000   13.740000000000
              15 C     16.600000000000   17.440000000000   22.060000000000
              16 C     17.070000000000   18.650000000000   22.920000000000
              17 C     18.410000000000   18.170000000000   23.520000000000
              18 C     18.750000000000   16.720000000000   23.020000000000
              19 C     17.570000000000   16.250000000000   22.140000000000
              20 H     16.580000000000   17.870000000000   21.100000000000
              21 H     15.560000000000   17.110000000000   22.210000000000
              22 H     16.280000000000   18.890000000000   23.620000000000
              23 H     17.150000000000   19.470000000000   22.200000000000
              24 H     18.400000000000   18.150000000000   24.580000000000
              25 H     19.210000000000   18.810000000000   23.210000000000
              26 H     18.840000000000   16.030000000000   23.910000000000
              27 H     19.630000000000   16.690000000000   22.440000000000
              28 H     17.260000000000   15.250000000000   22.510000000000
              29 H     18.030000000000   16.120000000000   21.170000000000
              30 C     15.430000000000   14.090000000000   18.960000000000
              31 C     14.210000000000   13.890000000000   18.060000000000
              32 C     12.980000000000   14.740000000000   18.460000000000
              33 C     13.530000000000   15.490000000000   19.640000000000
              34 C     14.950000000000   15.040000000000   20.070000000000
              35 H     16.190000000000   14.570000000000   18.320000000000
              36 H     15.850000000000   13.140000000000   19.250000000000
              37 H     13.950000000000   12.930000000000   18.410000000000
              38 H     14.350000000000   13.820000000000   16.970000000000
              39 H     12.260000000000   14.110000000000   18.930000000000
              40 H     12.510000000000   15.270000000000   17.700000000000
              41 H     12.790000000000   15.550000000000   20.410000000000
              42 H     13.550000000000   16.550000000000   19.400000000000
              43 H     14.980000000000   14.570000000000   21.060000000000
              44 H     15.470000000000   16.000000000000   20.050000000000
              45 C     17.800000000000   18.910000000000   16.470000000000
              46 C     16.890000000000   20.180000000000   16.260000000000
              47 C     15.450000000000   19.830000000000   16.680000000000
              48 C     15.500000000000   18.520000000000   17.570000000000
              49 C     16.920000000000   17.940000000000   17.430000000000
              50 H     18.780000000000   19.140000000000   16.960000000000
              51 H     18.010000000000   18.430000000000   15.550000000000
              52 H     17.020000000000   20.560000000000   15.230000000000
              53 H     17.300000000000   20.960000000000   16.880000000000
              54 H     14.870000000000   19.700000000000   15.840000000000
              55 H     15.010000000000   20.640000000000   17.290000000000
              56 H     14.740000000000   17.840000000000   17.240000000000
              57 H     15.280000000000   18.670000000000   18.660000000000
              58 H     16.850000000000   16.930000000000   17.070000000000
              59 H     17.460000000000   17.790000000000   18.370000000000
              60 C     10.230000000000   11.980000000000   22.460000000000
              61 C      9.220000000000   12.120000000000   23.580000000000
              62 C      9.480000000000   13.490000000000   24.300000000000
              63 C     10.390000000000   14.310000000000   23.360000000000
              64 C     10.940000000000   13.300000000000   22.260000000000
              65 H      9.690000000000   11.740000000000   21.510000000000
              66 H     10.870000000000   11.150000000000   22.610000000000
              67 H      9.120000000000   11.320000000000   24.240000000000
              68 H      8.290000000000   12.150000000000   23.050000000000
              69 H      9.960000000000   13.350000000000   25.230000000000
              70 H      8.680000000000   14.160000000000   24.380000000000
              71 H     11.190000000000   14.620000000000   23.970000000000
              72 H     10.020000000000   15.250000000000   22.970000000000
              73 H     12.010000000000   13.210000000000   22.430000000000
              74 H     10.650000000000   13.650000000000   21.290000000000
              75 C     13.920000000000    9.930000000000   20.300000000000
              76 C     14.570000000000   10.840000000000   21.270000000000
              77 C     14.360000000000   10.250000000000   22.710000000000
              78 C     13.180000000000    9.240000000000   22.580000000000
              79 C     13.070000000000    8.910000000000   20.990000000000
              80 H     14.670000000000    9.420000000000   19.700000000000
              81 H     13.320000000000   10.490000000000   19.570000000000
              82 H     14.170000000000   11.820000000000   21.170000000000
              83 H     15.580000000000   10.970000000000   20.970000000000
              84 H     13.980000000000   11.150000000000   23.330000000000
              85 H     15.260000000000    9.810000000000   23.110000000000
              86 H     12.230000000000    9.610000000000   23.040000000000
              87 H     13.460000000000    8.260000000000   22.980000000000
              88 H     12.070000000000    9.060000000000   20.670000000000
              89 H     13.410000000000    7.930000000000   20.660000000000
