-------------------------------------------------------------
----------------------- !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:    -1171.1989095233
# -----------------------------------------------------------
$ 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     6.1774     6.0000    -0.1774     3.9128     3.9128     0.0000
  1   0     6.1350     6.0000    -0.1350     3.8772     3.8772     0.0000
  2   0     6.1906     6.0000    -0.1906     3.8823     3.8823    -0.0000
  3   0     6.1599     6.0000    -0.1599     3.8786     3.8786    -0.0000
  4   0     6.1562     6.0000    -0.1562     3.9121     3.9121    -0.0000
  5   0     0.9098     1.0000     0.0902     0.9765     0.9765     0.0000
  6   0     0.9232     1.0000     0.0768     0.9787     0.9787     0.0000
  7   0     0.9169     1.0000     0.0831     0.9745     0.9745     0.0000
  8   0     0.9137     1.0000     0.0863     0.9752     0.9752    -0.0000
  9   0     0.9262     1.0000     0.0738     0.9822     0.9822    -0.0000
 10   0     0.9235     1.0000     0.0765     0.9795     0.9795    -0.0000
 11   0     0.9480     1.0000     0.0520     0.9921     0.9921    -0.0000
 12   0     0.8998     1.0000     0.1002     0.9722     0.9722    -0.0000
 13   0     0.9069     1.0000     0.0931     0.9716     0.9716    -0.0000
 14   0     0.9219     1.0000     0.0781     0.9832     0.9832    -0.0000
 15   0     6.1214     6.0000    -0.1214     3.9045     3.9045    -0.0000
 16   0     6.1901     6.0000    -0.1901     3.9147     3.9147    -0.0000
 17   0     6.1925     6.0000    -0.1925     3.8679     3.8679     0.0000
 18   0     6.1810     6.0000    -0.1810     3.8646     3.8646     0.0000
 19   0     6.1986     6.0000    -0.1986     3.9163     3.9163    -0.0000
 20   0     0.9051     1.0000     0.0949     0.9760     0.9760    -0.0000
 21   0     0.9149     1.0000     0.0851     0.9773     0.9773    -0.0000
 22   0     0.9195     1.0000     0.0805     0.9816     0.9816    -0.0000
 23   0     0.9012     1.0000     0.0988     0.9658     0.9658    -0.0000
 24   0     0.9172     1.0000     0.0828     0.9706     0.9706    -0.0000
 25   0     0.9216     1.0000     0.0784     0.9754     0.9754     0.0000
 26   0     0.9072     1.0000     0.0928     0.9698     0.9698     0.0000
 27   0     0.9064     1.0000     0.0936     0.9715     0.9715    -0.0000
 28   0     0.9189     1.0000     0.0811     0.9773     0.9773     0.0000
 29   0     0.8971     1.0000     0.1029     0.9688     0.9688    -0.0000
 30   0     6.1743     6.0000    -0.1743     3.8784     3.8784    -0.0000
 31   0     6.1502     6.0000    -0.1502     3.9074     3.9074    -0.0000
 32   0     6.1903     6.0000    -0.1903     3.8853     3.8853     0.0000
 33   0     6.1604     6.0000    -0.1604     3.8821     3.8821     0.0000
 34   0     6.1389     6.0000    -0.1389     3.8880     3.8880    -0.0000
 35   0     0.9094     1.0000     0.0906     0.9775     0.9775     0.0000
 36   0     0.9197     1.0000     0.0803     0.9765     0.9765    -0.0000
 37   0     0.9216     1.0000     0.0784     0.9777     0.9777    -0.0000
 38   0     0.9161     1.0000     0.0839     0.9823     0.9823    -0.0000
 39   0     0.9215     1.0000     0.0785     0.9690     0.9690     0.0000
 40   0     0.9114     1.0000     0.0886     0.9699     0.9699     0.0000
 41   0     0.9394     1.0000     0.0606     0.9806     0.9806     0.0000
 42   0     0.9174     1.0000     0.0826     0.9793     0.9793     0.0000
 43   0     0.9213     1.0000     0.0787     0.9829     0.9829    -0.0000
 44   0     0.9151     1.0000     0.0849     0.9822     0.9822     0.0000
 45   0     6.2305     6.0000    -0.2305     3.8871     3.8871     0.0000
 46   0     6.1439     6.0000    -0.1439     3.8314     3.8314    -0.0000
 47   0     6.1370     6.0000    -0.1370     3.9077     3.9077     0.0000
 48   0     6.1629     6.0000    -0.1629     3.9435     3.9435     0.0000
 49   0     6.0974     6.0000    -0.0974     3.8737     3.8737     0.0000
 50   0     0.9124     1.0000     0.0876     0.9727     0.9727     0.0000
 51   0     0.9222     1.0000     0.0778     0.9775     0.9775     0.0000
 52   0     0.9585     1.0000     0.0415     1.0057     1.0057    -0.0000
 53   0     0.9162     1.0000     0.0838     0.9727     0.9727     0.0000
 54   0     0.9257     1.0000     0.0743     0.9762     0.9762     0.0000
 55   0     0.9127     1.0000     0.0873     0.9805     0.9805     0.0000
 56   0     0.9175     1.0000     0.0825     0.9810     0.9810    -0.0000
 57   0     0.9211     1.0000     0.0789     0.9751     0.9751     0.0000
 58   0     0.9120     1.0000     0.0880     0.9745     0.9745     0.0000
 59   0     0.9292     1.0000     0.0708     0.9821     0.9821     0.0000
 60   0     6.1270     6.0000    -0.1270     3.9010     3.9010     0.0000
 61   0     6.2201     6.0000    -0.2201     3.9132     3.9132     0.0000
 62   0     6.1341     6.0000    -0.1341     3.8438     3.8438     0.0000
 63   0     6.1377     6.0000    -0.1377     3.8540     3.8540    -0.0000
 64   0     6.1756     6.0000    -0.1756     3.9096     3.9096     0.0000
 65   0     0.9136     1.0000     0.0864     0.9781     0.9781    -0.0000
 66   0     0.9113     1.0000     0.0887     0.9741     0.9741    -0.0000
 67   0     0.9063     1.0000     0.0937     0.9721     0.9721     0.0000
 68   0     0.9168     1.0000     0.0832     0.9762     0.9762     0.0000
 69   0     0.9117     1.0000     0.0883     0.9717     0.9717     0.0000
 70   0     0.9310     1.0000     0.0690     0.9772     0.9772     0.0000
 71   0     0.9225     1.0000     0.0775     0.9708     0.9708     0.0000
 72   0     0.9650     1.0000     0.0350     0.9971     0.9971    -0.0000
 73   0     0.9096     1.0000     0.0904     0.9717     0.9717    -0.0000
 74   0     0.9167     1.0000     0.0833     0.9735     0.9735     0.0000
 75   0     6.1720     6.0000    -0.1720     3.9154     3.9154     0.0000
 76   0     6.1664     6.0000    -0.1664     3.8940     3.8940    -0.0000
 77   0     6.1174     6.0000    -0.1174     3.8252     3.8252    -0.0000
 78   0     6.1725     6.0000    -0.1725     3.8986     3.8986    -0.0000
 79   0     6.1584     6.0000    -0.1584     3.8975     3.8975     0.0000
 80   0     0.9038     1.0000     0.0962     0.9762     0.9762    -0.0000
 81   0     0.9309     1.0000     0.0691     0.9738     0.9738    -0.0000
 82   0     0.9114     1.0000     0.0886     0.9693     0.9693    -0.0000
 83   0     0.9150     1.0000     0.0850     0.9739     0.9739    -0.0000
 84   0     0.9569     1.0000     0.0431     0.9875     0.9875    -0.0000
 85   0     0.9175     1.0000     0.0825     0.9734     0.9734    -0.0000
 86   0     0.9227     1.0000     0.0773     0.9723     0.9723     0.0000
 87   0     0.9182     1.0000     0.0818     0.9746     0.9746     0.0000
 88   0     0.9106     1.0000     0.0894     0.9720     0.9720     0.0000
 89   0     0.9191     1.0000     0.0809     0.9807     0.9807     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                0.981560
                0             6               4            6                0.976254
                0             6               5            1                0.991779
                0             6               6            1                0.995983
                1             6               2            6                0.953313
                1             6               7            1                0.990962
                1             6               8            1                0.990097
                2             6               3            6                0.968736
                2             6               9            1                0.992947
                2             6              10            1                0.990704
                3             6               4            6                0.976529
                3             6              11            1                0.994357
                3             6              12            1                0.981847
                4             6              13            1                0.986600
                4             6              14            1                0.998156
               15             6              16            6                0.985236
               15             6              19            6                0.978003
               15             6              20            1                0.992549
               15             6              21            1                0.990830
               16             6              17            6                0.970564
               16             6              22            1                0.996003
               16             6              23            1                0.987617
               17             6              18            6                0.951259
               17             6              24            1                0.981888
               17             6              25            1                1.006698
               18             6              19            6                0.967461
               18             6              26            1                0.983933
               18             6              27            1                0.988407
               19             6              28            1                0.988935
               19             6              29            1                0.995619
               30             6              31            6                0.967317
               30             6              34            6                0.956206
               30             6              35            1                0.990468
               30             6              36            1                1.003982
               31             6              32            6                0.977828
               31             6              37            1                0.997329
               31             6              38            1                0.993502
               32             6              33            6                0.951897
               32             6              39            1                0.997497
               32             6              40            1                0.997030
               33             6              34            6                0.975801
               33             6              41            1                0.993087
               33             6              42            1                0.998865
               34             6              43            1                0.992749
               34             6              44            1                0.986939
               45             6              46            6                0.952670
               45             6              49            6                0.961921
               45             6              50            1                0.990050
               45             6              51            1                0.997997
               46             6              47            6                0.956655
               46             6              52            1                0.999217
               46             6              53            1                0.993736
               47             6              48            6                0.983172
               47             6              54            1                0.995215
               47             6              55            1                0.997621
               48             6              49            6                0.994545
               48             6              56            1                0.988788
               48             6              57            1                0.991655
               49             6              58            1                0.980715
               49             6              59            1                0.994354
               60             6              61            6                0.976566
               60             6              64            6                0.978151
               60             6              65            1                0.990003
               60             6              66            1                0.988573
               61             6              62            6                0.959084
               61             6              67            1                0.990938
               61             6              68            1                0.993962
               62             6              63            6                0.941786
               62             6              69            1                0.992876
               62             6              70            1                1.003377
               63             6              64            6                0.965928
               63             6              71            1                0.996624
               63             6              72            1                0.999809
               64             6              73            1                0.991612
               64             6              74            1                0.996588
               75             6              76            6                0.981551
               75             6              79            6                0.973840
               75             6              80            1                0.986403
               75             6              81            1                0.996963
               76             6              77            6                0.941613
               76             6              82            1                0.993154
               76             6              83            1                0.987461
               77             6              78            6                0.953653
               77             6              84            1                0.995031
               77             6              85            1                0.995086
               78             6              79            6                0.973818
               78             6              86            1                1.000591
               78             6              87            1                0.990000
               79             6              88            1                0.986841
               79             6              89            1                0.989893
# -----------------------------------------------------------
$ 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     6.1847     6.0000    -0.1847     4.0212     3.7014     0.3198
  1   0     6.1429     6.0000    -0.1429     3.9856     3.6669     0.3187
  2   0     6.1978     6.0000    -0.1978     3.9954     3.6585     0.3369
  3   0     6.1673     6.0000    -0.1673     3.9905     3.6599     0.3306
  4   0     6.1643     6.0000    -0.1643     4.0216     3.6966     0.3250
  5   0     0.9061     1.0000     0.0939     0.9858     0.9366     0.0492
  6   0     0.9195     1.0000     0.0805     0.9884     0.9364     0.0520
  7   0     0.9131     1.0000     0.0869     0.9838     0.9314     0.0524
  8   0     0.9098     1.0000     0.0902     0.9845     0.9320     0.0525
  9   0     0.9227     1.0000     0.0773     0.9927     0.9391     0.0536
 10   0     0.9196     1.0000     0.0804     0.9893     0.9346     0.0547
 11   0     0.9441     1.0000     0.0559     1.0028     0.9452     0.0576
 12   0     0.8957     1.0000     0.1043     0.9809     0.9306     0.0503
 13   0     0.9032     1.0000     0.0968     0.9807     0.9289     0.0518
 14   0     0.9180     1.0000     0.0820     0.9926     0.9420     0.0506
 15   0     6.1305     6.0000    -0.1305     4.0152     3.6958     0.3194
 16   0     6.1984     6.0000    -0.1984     4.0281     3.6951     0.3330
 17   0     6.2005     6.0000    -0.2005     3.9834     3.6473     0.3361
 18   0     6.1893     6.0000    -0.1893     3.9817     3.6458     0.3359
 19   0     6.2070     6.0000    -0.2070     4.0314     3.7025     0.3289
 20   0     0.9009     1.0000     0.0991     0.9847     0.9323     0.0524
 21   0     0.9108     1.0000     0.0892     0.9865     0.9365     0.0500
 22   0     0.9150     1.0000     0.0850     0.9904     0.9362     0.0542
 23   0     0.8970     1.0000     0.1030     0.9743     0.9242     0.0501
 24   0     0.9134     1.0000     0.0866     0.9809     0.9265     0.0544
 25   0     0.9175     1.0000     0.0825     0.9849     0.9310     0.0539
 26   0     0.9029     1.0000     0.0971     0.9792     0.9262     0.0530
 27   0     0.9019     1.0000     0.0981     0.9801     0.9299     0.0502
 28   0     0.9150     1.0000     0.0850     0.9877     0.9316     0.0561
 29   0     0.8924     1.0000     0.1076     0.9766     0.9270     0.0496
 30   0     6.1823     6.0000    -0.1823     3.9910     3.6603     0.3307
 31   0     6.1572     6.0000    -0.1572     4.0125     3.6994     0.3131
 32   0     6.1988     6.0000    -0.1988     3.9979     3.6724     0.3255
 33   0     6.1689     6.0000    -0.1689     3.9938     3.6727     0.3211
 34   0     6.1459     6.0000    -0.1459     3.9972     3.6761     0.3211
 35   0     0.9058     1.0000     0.0942     0.9871     0.9362     0.0509
 36   0     0.9158     1.0000     0.0842     0.9860     0.9324     0.0536
 37   0     0.9177     1.0000     0.0823     0.9872     0.9367     0.0505
 38   0     0.9124     1.0000     0.0876     0.9917     0.9423     0.0494
 39   0     0.9176     1.0000     0.0824     0.9786     0.9234     0.0552
 40   0     0.9076     1.0000     0.0924     0.9792     0.9244     0.0548
 41   0     0.9350     1.0000     0.0650     0.9904     0.9360     0.0544
 42   0     0.9134     1.0000     0.0866     0.9884     0.9366     0.0518
 43   0     0.9174     1.0000     0.0826     0.9926     0.9404     0.0522
 44   0     0.9111     1.0000     0.0889     0.9915     0.9420     0.0495
 45   0     6.2379     6.0000    -0.2379     4.0007     3.6709     0.3298
 46   0     6.1516     6.0000    -0.1516     3.9435     3.6172     0.3263
 47   0     6.1452     6.0000    -0.1452     4.0149     3.7017     0.3132
 48   0     6.1705     6.0000    -0.1705     4.0489     3.7321     0.3168
 49   0     6.1056     6.0000    -0.1056     3.9804     3.6661     0.3143
 50   0     0.9084     1.0000     0.0916     0.9817     0.9301     0.0516
 51   0     0.9184     1.0000     0.0816     0.9871     0.9318     0.0553
 52   0     0.9552     1.0000     0.0448     1.0176     0.9625     0.0551
 53   0     0.9119     1.0000     0.0881     0.9820     0.9269     0.0551
 54   0     0.9219     1.0000     0.0781     0.9860     0.9348     0.0512
 55   0     0.9086     1.0000     0.0914     0.9892     0.9416     0.0476
 56   0     0.9136     1.0000     0.0864     0.9901     0.9395     0.0506
 57   0     0.9172     1.0000     0.0828     0.9846     0.9320     0.0526
 58   0     0.9082     1.0000     0.0918     0.9837     0.9319     0.0518
 59   0     0.9251     1.0000     0.0749     0.9917     0.9399     0.0518
 60   0     6.1345     6.0000    -0.1345     4.0073     3.6902     0.3171
 61   0     6.2280     6.0000    -0.2280     4.0272     3.6977     0.3295
 62   0     6.1416     6.0000    -0.1416     3.9539     3.6326     0.3213
 63   0     6.1456     6.0000    -0.1456     3.9635     3.6382     0.3253
 64   0     6.1841     6.0000    -0.1841     4.0207     3.6996     0.3211
 65   0     0.9098     1.0000     0.0902     0.9873     0.9390     0.0483
 66   0     0.9074     1.0000     0.0926     0.9833     0.9326     0.0507
 67   0     0.9026     1.0000     0.0974     0.9814     0.9316     0.0498
 68   0     0.9131     1.0000     0.0869     0.9857     0.9332     0.0525
 69   0     0.9074     1.0000     0.0926     0.9807     0.9303     0.0504
 70   0     0.9271     1.0000     0.0729     0.9870     0.9330     0.0540
 71   0     0.9184     1.0000     0.0816     0.9803     0.9262     0.0541
 72   0     0.9614     1.0000     0.0386     1.0091     0.9519     0.0572
 73   0     0.9055     1.0000     0.0945     0.9808     0.9297     0.0511
 74   0     0.9127     1.0000     0.0873     0.9828     0.9309     0.0519
 75   0     6.1793     6.0000    -0.1793     4.0227     3.7040     0.3187
 76   0     6.1753     6.0000    -0.1753     4.0054     3.6818     0.3236
 77   0     6.1248     6.0000    -0.1248     3.9338     3.6119     0.3219
 78   0     6.1808     6.0000    -0.1808     4.0086     3.6853     0.3233
 79   0     6.1664     6.0000    -0.1664     4.0064     3.6890     0.3174
 80   0     0.8998     1.0000     0.1002     0.9849     0.9370     0.0479
 81   0     0.9271     1.0000     0.0729     0.9839     0.9267     0.0572
 82   0     0.9074     1.0000     0.0926     0.9782     0.9254     0.0528
 83   0     0.9109     1.0000     0.0891     0.9832     0.9325     0.0507
 84   0     0.9536     1.0000     0.0464     0.9998     0.9428     0.0570
 85   0     0.9133     1.0000     0.0867     0.9825     0.9329     0.0496
 86   0     0.9189     1.0000     0.0811     0.9821     0.9318     0.0503
 87   0     0.9140     1.0000     0.0860     0.9839     0.9307     0.0532
 88   0     0.9065     1.0000     0.0935     0.9809     0.9299     0.0510
 89   0     0.9151     1.0000     0.0849     0.9900     0.9394     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                0.923081
                0             6               4            6                0.906880
                0             6               5            1                0.953150
                0             6               6            1                0.954808
                1             6               2            6                0.887711
                1             6               7            1                0.949156
                1             6               8            1                0.948391
                2             6               3            6                0.900575
                2             6               9            1                0.950865
                2             6              10            1                0.946856
                3             6               4            6                0.915076
                3             6              11            1                0.948565
                3             6              12            1                0.941609
                4             6              13            1                0.945272
                4             6              14            1                0.958294
               15             6              16            6                0.920024
               15             6              19            6                0.919791
               15             6              20            1                0.950503
               15             6              21            1                0.951131
               16             6              17            6                0.904749
               16             6              22            1                0.951816
               16             6              23            1                0.947286
               17             6              18            6                0.885180
               17             6              24            1                0.939250
               17             6              25            1                0.962832
               18             6              19            6                0.901344
               18             6              26            1                0.941199
               18             6              27            1                0.947832
               19             6              28            1                0.944857
               19             6              29            1                0.954536
               30             6              31            6                0.902588
               30             6              34            6                0.888732
               30             6              35            1                0.950687
               30             6              36            1                0.960747
               31             6              32            6                0.916456
               31             6              37            1                0.957441
               31             6              38            1                0.954863
               32             6              33            6                0.891613
               32             6              39            1                0.952893
               32             6              40            1                0.952896
               33             6              34            6                0.915533
               33             6              41            1                0.949520
               33             6              42            1                0.957180
               34             6              43            1                0.951279
               34             6              44            1                0.948130
               45             6              46            6                0.887776
               45             6              49            6                0.900014
               45             6              50            1                0.948954
               45             6              51            1                0.953573
               46             6              47            6                0.896359
               46             6              52            1                0.957361
               46             6              53            1                0.948744
               47             6              48            6                0.918632
               47             6              54            1                0.955029
               47             6              55            1                0.959948
               48             6              49            6                0.933395
               48             6              56            1                0.948829
               48             6              57            1                0.949915
               49             6              58            1                0.939693
               49             6              59            1                0.953470
               60             6              61            6                0.909235
               60             6              64            6                0.916377
               60             6              65            1                0.952147
               60             6              66            1                0.948392
               61             6              62            6                0.895788
               61             6              67            1                0.951551
               61             6              68            1                0.952300
               62             6              63            6                0.879973
               62             6              69            1                0.952796
               62             6              70            1                0.959891
               63             6              64            6                0.903133
               63             6              71            1                0.952860
               63             6              72            1                0.955676
               64             6              73            1                0.950926
               64             6              74            1                0.955110
               75             6              76            6                0.918868
               75             6              79            6                0.912637
               75             6              80            1                0.948903
               75             6              81            1                0.950922
               76             6              77            6                0.879129
               76             6              82            1                0.950174
               76             6              83            1                0.947435
               77             6              78            6                0.888657
               77             6              84            1                0.951488
               77             6              85            1                0.955450
               78             6              79            6                0.911258
               78             6              86            1                0.960650
               78             6              87            1                0.947666
               79             6              88            1                0.946222
               79             6              89            1                0.949899
# -----------------------------------------------------------
$ 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     6.2375     6.0000    -0.2375     4.0017     3.6859     0.3158
  1   0     6.1885     6.0000    -0.1885     3.9720     3.6577     0.3143
  2   0     6.2448     6.0000    -0.2448     3.9763     3.6440     0.3323
  3   0     6.2234     6.0000    -0.2234     3.9865     3.6604     0.3261
  4   0     6.2138     6.0000    -0.2138     4.0020     3.6810     0.3210
  5   0     0.8817     1.0000     0.1183     0.9780     0.9299     0.0481
  6   0     0.8926     1.0000     0.1074     0.9782     0.9273     0.0509
  7   0     0.8889     1.0000     0.1111     0.9771     0.9257     0.0514
  8   0     0.8869     1.0000     0.1131     0.9773     0.9258     0.0515
  9   0     0.8987     1.0000     0.1013     0.9902     0.9379     0.0523
 10   0     0.8927     1.0000     0.1073     0.9786     0.9251     0.0535
 11   0     0.9095     1.0000     0.0905     0.9943     0.9382     0.0561
 12   0     0.8751     1.0000     0.1249     0.9747     0.9254     0.0493
 13   0     0.8813     1.0000     0.1187     0.9751     0.9243     0.0508
 14   0     0.8920     1.0000     0.1080     0.9831     0.9336     0.0495
 15   0     6.1908     6.0000    -0.1908     4.0070     3.6921     0.3149
 16   0     6.2423     6.0000    -0.2423     3.9986     3.6702     0.3284
 17   0     6.2456     6.0000    -0.2456     3.9637     3.6324     0.3313
 18   0     6.2289     6.0000    -0.2289     3.9653     3.6343     0.3310
 19   0     6.2511     6.0000    -0.2511     4.0095     3.6853     0.3242
 20   0     0.8777     1.0000     0.1223     0.9769     0.9256     0.0513
 21   0     0.8875     1.0000     0.1125     0.9821     0.9332     0.0489
 22   0     0.8920     1.0000     0.1080     0.9836     0.9307     0.0529
 23   0     0.8736     1.0000     0.1264     0.9688     0.9199     0.0489
 24   0     0.8897     1.0000     0.1103     0.9812     0.9281     0.0531
 25   0     0.8891     1.0000     0.1109     0.9763     0.9238     0.0525
 26   0     0.8832     1.0000     0.1168     0.9751     0.9234     0.0517
 27   0     0.8807     1.0000     0.1193     0.9764     0.9274     0.0490
 28   0     0.8974     1.0000     0.1026     0.9889     0.9341     0.0548
 29   0     0.8691     1.0000     0.1309     0.9732     0.9249     0.0483
 30   0     6.2349     6.0000    -0.2349     3.9754     3.6485     0.3269
 31   0     6.2123     6.0000    -0.2123     3.9967     3.6875     0.3092
 32   0     6.2351     6.0000    -0.2351     3.9729     3.6522     0.3207
 33   0     6.2259     6.0000    -0.2259     3.9826     3.6660     0.3166
 34   0     6.1988     6.0000    -0.1988     3.9875     3.6710     0.3165
 35   0     0.8808     1.0000     0.1192     0.9810     0.9312     0.0498
 36   0     0.8897     1.0000     0.1103     0.9763     0.9237     0.0526
 37   0     0.8914     1.0000     0.1086     0.9778     0.9283     0.0495
 38   0     0.8867     1.0000     0.1133     0.9825     0.9342     0.0483
 39   0     0.8923     1.0000     0.1077     0.9709     0.9168     0.0541
 40   0     0.8837     1.0000     0.1163     0.9727     0.9190     0.0537
 41   0     0.9117     1.0000     0.0883     0.9883     0.9353     0.0530
 42   0     0.8843     1.0000     0.1157     0.9788     0.9284     0.0504
 43   0     0.8971     1.0000     0.1029     0.9879     0.9368     0.0511
 44   0     0.8853     1.0000     0.1147     0.9854     0.9372     0.0482
 45   0     6.2736     6.0000    -0.2736     3.9749     3.6497     0.3252
 46   0     6.2140     6.0000    -0.2140     3.9450     3.6234     0.3216
 47   0     6.2055     6.0000    -0.2055     4.0033     3.6938     0.3095
 48   0     6.2147     6.0000    -0.2147     4.0221     3.7093     0.3128
 49   0     6.1642     6.0000    -0.1642     3.9733     3.6631     0.3102
 50   0     0.8841     1.0000     0.1159     0.9734     0.9229     0.0505
 51   0     0.8909     1.0000     0.1091     0.9810     0.9271     0.0539
 52   0     0.9189     1.0000     0.0811     1.0108     0.9572     0.0536
 53   0     0.8867     1.0000     0.1133     0.9730     0.9190     0.0540
 54   0     0.8944     1.0000     0.1056     0.9800     0.9300     0.0500
 55   0     0.8833     1.0000     0.1167     0.9803     0.9338     0.0465
 56   0     0.8906     1.0000     0.1094     0.9826     0.9330     0.0496
 57   0     0.8935     1.0000     0.1065     0.9776     0.9259     0.0517
 58   0     0.8862     1.0000     0.1138     0.9789     0.9281     0.0508
 59   0     0.8978     1.0000     0.1022     0.9822     0.9316     0.0506
 60   0     6.1900     6.0000    -0.1900     3.9972     3.6839     0.3133
 61   0     6.2709     6.0000    -0.2709     4.0099     3.6845     0.3254
 62   0     6.1980     6.0000    -0.1980     3.9417     3.6245     0.3172
 63   0     6.2049     6.0000    -0.2049     3.9467     3.6256     0.3211
 64   0     6.2295     6.0000    -0.2295     3.9992     3.6823     0.3169
 65   0     0.8848     1.0000     0.1152     0.9814     0.9342     0.0472
 66   0     0.8855     1.0000     0.1145     0.9753     0.9256     0.0497
 67   0     0.8794     1.0000     0.1206     0.9727     0.9239     0.0488
 68   0     0.8876     1.0000     0.1124     0.9773     0.9260     0.0513
 69   0     0.8846     1.0000     0.1154     0.9726     0.9233     0.0493
 70   0     0.8951     1.0000     0.1049     0.9787     0.9262     0.0525
 71   0     0.8934     1.0000     0.1066     0.9724     0.9195     0.0529
 72   0     0.9217     1.0000     0.0783     1.0009     0.9455     0.0554
 73   0     0.8840     1.0000     0.1160     0.9740     0.9239     0.0501
 74   0     0.8865     1.0000     0.1135     0.9763     0.9257     0.0506
 75   0     6.2239     6.0000    -0.2239     3.9990     3.6847     0.3143
 76   0     6.2244     6.0000    -0.2244     3.9825     3.6631     0.3194
 77   0     6.1893     6.0000    -0.1893     3.9081     3.5900     0.3181
 78   0     6.2244     6.0000    -0.2244     3.9768     3.6580     0.3188
 79   0     6.2168     6.0000    -0.2168     3.9913     3.6780     0.3133
 80   0     0.8794     1.0000     0.1206     0.9801     0.9331     0.0470
 81   0     0.8994     1.0000     0.1006     0.9767     0.9208     0.0559
 82   0     0.8810     1.0000     0.1190     0.9723     0.9207     0.0516
 83   0     0.8891     1.0000     0.1109     0.9767     0.9270     0.0497
 84   0     0.9158     1.0000     0.0842     0.9942     0.9389     0.0553
 85   0     0.8877     1.0000     0.1123     0.9747     0.9263     0.0484
 86   0     0.8918     1.0000     0.1082     0.9795     0.9304     0.0491
 87   0     0.8927     1.0000     0.1073     0.9782     0.9260     0.0522
 88   0     0.8832     1.0000     0.1168     0.9754     0.9254     0.0500
 89   0     0.8901     1.0000     0.1099     0.9812     0.9316     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                0.937090
                0             6               4            6                0.905171
                0             6               5            1                0.941879
                0             6               6            1                0.941087
                1             6               2            6                0.895379
                1             6               7            1                0.936192
                1             6               8            1                0.933880
                2             6               3            6                0.904771
                2             6               9            1                0.939687
                2             6              10            1                0.932703
                3             6               4            6                0.929244
                3             6              11            1                0.932780
                3             6              12            1                0.931457
                4             6              13            1                0.933639
                4             6              14            1                0.945691
               15             6              16            6                0.924500
               15             6              19            6                0.935886
               15             6              20            1                0.931167
               15             6              21            1                0.938865
               16             6              17            6                0.907630
               16             6              22            1                0.933539
               16             6              23            1                0.935215
               17             6              18            6                0.893293
               17             6              24            1                0.925029
               17             6              25            1                0.947259
               18             6              19            6                0.905084
               18             6              26            1                0.927573
               18             6              27            1                0.936784
               19             6              28            1                0.925636
               19             6              29            1                0.937369
               30             6              31            6                0.907832
               30             6              34            6                0.898179
               30             6              35            1                0.938487
               30             6              36            1                0.945524
               31             6              32            6                0.924873
               31             6              37            1                0.945695
               31             6              38            1                0.942586
               32             6              33            6                0.903696
               32             6              39            1                0.936893
               32             6              40            1                0.935358
               33             6              34            6                0.922876
               33             6              41            1                0.931423
               33             6              42            1                0.944484
               34             6              43            1                0.938084
               34             6              44            1                0.939420
               45             6              46            6                0.893223
               45             6              49            6                0.911942
               45             6              50            1                0.936325
               45             6              51            1                0.933704
               46             6              47            6                0.913266
               46             6              52            1                0.948532
               46             6              53            1                0.930298
               47             6              48            6                0.919186
               47             6              54            1                0.942804
               47             6              55            1                0.948659
               48             6              49            6                0.944916
               48             6              56            1                0.935989
               48             6              57            1                0.936156
               49             6              58            1                0.926788
               49             6              59            1                0.939938
               60             6              61            6                0.912766
               60             6              64            6                0.927517
               60             6              65            1                0.944286
               60             6              66            1                0.935326
               61             6              62            6                0.906687
               61             6              67            1                0.939350
               61             6              68            1                0.938893
               62             6              63            6                0.889204
               62             6              69            1                0.938897
               62             6              70            1                0.945879
               63             6              64            6                0.909178
               63             6              71            1                0.938221
               63             6              72            1                0.942059
               64             6              73            1                0.937562
               64             6              74            1                0.942226
               75             6              76            6                0.927360
               75             6              79            6                0.921082
               75             6              80            1                0.939515
               75             6              81            1                0.933025
               76             6              77            6                0.882827
               76             6              82            1                0.937223
               76             6              83            1                0.935232
               77             6              78            6                0.888443
               77             6              84            1                0.939251
               77             6              85            1                0.944305
               78             6              79            6                0.918368
               78             6              86            1                0.949999
               78             6              87            1                0.932959
               79             6              88            1                0.934501
               79             6              89            1                0.937402
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1989095233
        Correlation Energy:       -5.0781598172
        Total MP2 Energy:      -1176.2770693405
# -----------------------------------------------------------
$ 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) :        0.2561806996
        Electronic Contribution:
                  0    
      0       0.126706
      1       0.036163
      2      -0.021426
        Nuclear Contribution:
                  0    
      0      -0.216902
      1      -0.072301
      2       0.048200
        Total Dipole moment:
                  0    
      0      -0.090196
      1      -0.036138
      2       0.026774
# -----------------------------------------------------------
$ 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) :        0.2586670243
        Electronic Contribution:
                  0    
      0       0.126490
      1       0.034021
      2      -0.021430
        Nuclear Contribution:
                  0    
      0      -0.216902
      1      -0.072301
      2       0.048200
        Total Dipole moment:
                  0    
      0      -0.090412
      1      -0.038279
      2       0.026770
# -----------------------------------------------------------
$ 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) :        0.2448587443
        Electronic Contribution:
                  0    
      0       0.139858
      1       0.017827
      2      -0.028784
        Nuclear Contribution:
                  0    
      0      -0.216902
      1      -0.072301
      2       0.048200
        Total Dipole moment:
                  0    
      0      -0.077043
      1      -0.054473
      2       0.019416
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     16.280000000000   18.220000000000   17.530000000000
               1 C     16.470000000000   19.690000000000   17.560000000000
               2 C     17.250000000000   20.130000000000   16.260000000000
               3 C     17.330000000000   18.820000000000   15.320000000000
               4 C     17.020000000000   17.620000000000   16.210000000000
               5 H     15.290000000000   17.870000000000   17.570000000000
               6 H     16.770000000000   17.690000000000   18.330000000000
               7 H     17.150000000000   20.090000000000   18.320000000000
               8 H     15.480000000000   20.190000000000   17.640000000000
               9 H     18.200000000000   20.590000000000   16.510000000000
              10 H     16.660000000000   20.950000000000   15.790000000000
              11 H     18.410000000000   18.830000000000   14.960000000000
              12 H     16.640000000000   18.870000000000   14.480000000000
              13 H     17.860000000000   17.010000000000   16.590000000000
              14 H     16.320000000000   17.020000000000   15.680000000000
              15 C     20.520000000000   20.140000000000   13.550000000000
              16 C     20.880000000000   20.420000000000   15.050000000000
              17 C     20.490000000000   21.920000000000   15.300000000000
              18 C     19.530000000000   22.330000000000   14.120000000000
              19 C     19.460000000000   21.080000000000   13.160000000000
              20 H     20.240000000000   19.060000000000   13.440000000000
              21 H     21.410000000000   20.310000000000   13.010000000000
              22 H     21.990000000000   20.370000000000   15.270000000000
              23 H     20.380000000000   19.770000000000   15.740000000000
              24 H     21.370000000000   22.570000000000   15.510000000000
              25 H     19.840000000000   22.050000000000   16.170000000000
              26 H     20.040000000000   23.200000000000   13.680000000000
              27 H     18.550000000000   22.580000000000   14.490000000000
              28 H     19.400000000000   21.420000000000   12.080000000000
              29 H     18.520000000000   20.600000000000   13.370000000000
              30 C     25.900000000000   21.560000000000   15.380000000000
              31 C     26.090000000000   20.280000000000   16.260000000000
              32 C     24.980000000000   20.330000000000   17.300000000000
              33 C     24.220000000000   21.630000000000   17.230000000000
              34 C     24.860000000000   22.500000000000   16.190000000000
              35 H     25.620000000000   21.380000000000   14.360000000000
              36 H     26.930000000000   21.970000000000   15.340000000000
              37 H     27.070000000000   20.340000000000   16.680000000000
              38 H     26.050000000000   19.370000000000   15.740000000000
              39 H     25.390000000000   20.250000000000   18.350000000000
              40 H     24.320000000000   19.400000000000   17.250000000000
              41 H     24.180000000000   22.110000000000   18.230000000000
              42 H     23.190000000000   21.370000000000   17.030000000000
              43 H     25.530000000000   23.250000000000   16.590000000000
              44 H     24.140000000000   22.850000000000   15.520000000000
              45 C     21.300000000000   22.070000000000    9.690000000000
              46 C     22.010000000000   22.730000000000   10.910000000000
              47 C     23.470000000000   22.330000000000   10.950000000000
              48 C     23.670000000000   21.310000000000    9.790000000000
              49 C     22.290000000000   20.970000000000    9.290000000000
              50 H     21.060000000000   22.790000000000    8.900000000000
              51 H     20.290000000000   21.710000000000   10.040000000000
              52 H     21.420000000000   22.470000000000   11.760000000000
              53 H     21.940000000000   23.860000000000   10.760000000000
              54 H     23.710000000000   21.890000000000   11.890000000000
              55 H     24.130000000000   23.120000000000   10.840000000000
              56 H     24.150000000000   20.390000000000   10.090000000000
              57 H     24.260000000000   21.860000000000    9.030000000000
              58 H     21.940000000000   19.980000000000    9.640000000000
              59 H     22.280000000000   21.050000000000    8.220000000000
              60 C     17.780000000000   25.630000000000   13.650000000000
              61 C     16.690000000000   24.650000000000   12.990000000000
              62 C     17.400000000000   24.050000000000   11.730000000000
              63 C     18.750000000000   24.730000000000   11.490000000000
              64 C     18.940000000000   25.730000000000   12.640000000000
              65 H     18.070000000000   25.230000000000   14.560000000000
              66 H     17.270000000000   26.570000000000   13.820000000000
              67 H     15.780000000000   25.060000000000   12.640000000000
              68 H     16.320000000000   23.970000000000   13.760000000000
              69 H     16.830000000000   24.090000000000   10.820000000000
              70 H     17.620000000000   22.980000000000   11.810000000000
              71 H     18.790000000000   25.320000000000   10.540000000000
              72 H     19.530000000000   23.960000000000   11.310000000000
              73 H     19.060000000000   26.700000000000   12.160000000000
              74 H     19.880000000000   25.530000000000   13.140000000000
              75 C     25.050000000000   25.830000000000   18.220000000000
              76 C     24.000000000000   25.780000000000   17.110000000000
              77 C     22.800000000000   24.980000000000   17.660000000000
              78 C     23.200000000000   24.510000000000   19.090000000000
              79 C     24.640000000000   24.940000000000   19.390000000000
              80 H     25.260000000000   26.830000000000   18.450000000000
              81 H     25.940000000000   25.310000000000   17.720000000000
              82 H     24.360000000000   25.260000000000   16.190000000000
              83 H     23.640000000000   26.760000000000   16.830000000000
              84 H     22.460000000000   24.170000000000   16.990000000000
              85 H     21.910000000000   25.520000000000   17.790000000000
              86 H     23.140000000000   23.470000000000   19.070000000000
              87 H     22.430000000000   24.990000000000   19.750000000000
              88 H     25.220000000000   24.030000000000   19.570000000000
              89 H     24.640000000000   25.530000000000   20.290000000000
