-------------------------------------------------------------
----------------------- !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:    -1171.2128168927
# -----------------------------------------------------------
$ 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     6.1965     6.0000    -0.1965     3.9158     3.9158    -0.0000
  1   0     6.0942     6.0000    -0.0942     3.8766     3.8766    -0.0000
  2   0     6.1775     6.0000    -0.1775     3.9233     3.9233    -0.0000
  3   0     6.1834     6.0000    -0.1834     3.8689     3.8689    -0.0000
  4   0     6.1602     6.0000    -0.1602     3.9118     3.9118    -0.0000
  5   0     0.9017     1.0000     0.0983     0.9737     0.9737    -0.0000
  6   0     0.9303     1.0000     0.0697     0.9753     0.9753    -0.0000
  7   0     0.9233     1.0000     0.0767     0.9793     0.9793    -0.0000
  8   0     0.9231     1.0000     0.0769     0.9792     0.9792    -0.0000
  9   0     0.9354     1.0000     0.0646     0.9944     0.9944    -0.0000
 10   0     0.9127     1.0000     0.0873     0.9781     0.9781     0.0000
 11   0     0.9189     1.0000     0.0811     0.9762     0.9762     0.0000
 12   0     0.9205     1.0000     0.0795     0.9747     0.9747     0.0000
 13   0     0.9048     1.0000     0.0952     0.9703     0.9703    -0.0000
 14   0     0.9185     1.0000     0.0815     0.9794     0.9794     0.0000
 15   0     6.1008     6.0000    -0.1008     3.8763     3.8763     0.0000
 16   0     6.2017     6.0000    -0.2017     3.9187     3.9187     0.0000
 17   0     6.2067     6.0000    -0.2067     3.8919     3.8919    -0.0000
 18   0     6.1018     6.0000    -0.1018     3.8807     3.8807    -0.0000
 19   0     6.2064     6.0000    -0.2064     3.9242     3.9242    -0.0000
 20   0     0.9437     1.0000     0.0563     0.9887     0.9887     0.0000
 21   0     0.8996     1.0000     0.1004     0.9731     0.9731     0.0000
 22   0     0.9071     1.0000     0.0929     0.9705     0.9705     0.0000
 23   0     0.9148     1.0000     0.0852     0.9734     0.9734     0.0000
 24   0     0.9019     1.0000     0.0981     0.9687     0.9687    -0.0000
 25   0     0.9192     1.0000     0.0808     0.9762     0.9762     0.0000
 26   0     0.9172     1.0000     0.0828     0.9730     0.9730    -0.0000
 27   0     0.9202     1.0000     0.0798     0.9758     0.9758    -0.0000
 28   0     0.9272     1.0000     0.0728     0.9799     0.9799     0.0000
 29   0     0.9304     1.0000     0.0696     0.9842     0.9842    -0.0000
 30   0     6.1703     6.0000    -0.1703     3.8900     3.8900    -0.0000
 31   0     6.1461     6.0000    -0.1461     3.8616     3.8616    -0.0000
 32   0     6.1688     6.0000    -0.1688     3.8956     3.8956    -0.0000
 33   0     6.1543     6.0000    -0.1543     3.8762     3.8762    -0.0000
 34   0     6.1448     6.0000    -0.1448     3.9085     3.9085    -0.0000
 35   0     0.9184     1.0000     0.0816     0.9758     0.9758    -0.0000
 36   0     0.9206     1.0000     0.0794     0.9725     0.9725    -0.0000
 37   0     0.9134     1.0000     0.0866     0.9763     0.9763    -0.0000
 38   0     0.9192     1.0000     0.0808     0.9728     0.9728     0.0000
 39   0     0.9345     1.0000     0.0655     0.9789     0.9789     0.0000
 40   0     0.9158     1.0000     0.0842     0.9770     0.9770    -0.0000
 41   0     0.9280     1.0000     0.0720     0.9818     0.9818    -0.0000
 42   0     0.9139     1.0000     0.0861     0.9759     0.9759    -0.0000
 43   0     0.9301     1.0000     0.0699     0.9864     0.9864     0.0000
 44   0     0.9187     1.0000     0.0813     0.9809     0.9809    -0.0000
 45   0     6.1917     6.0000    -0.1917     3.9218     3.9218     0.0000
 46   0     6.1276     6.0000    -0.1276     3.8981     3.8981     0.0000
 47   0     6.1659     6.0000    -0.1659     3.8732     3.8732     0.0000
 48   0     6.2100     6.0000    -0.2100     3.8702     3.8702    -0.0000
 49   0     6.1268     6.0000    -0.1268     3.8565     3.8565    -0.0000
 50   0     0.9274     1.0000     0.0726     0.9717     0.9717    -0.0000
 51   0     0.9016     1.0000     0.0984     0.9748     0.9748     0.0000
 52   0     0.9189     1.0000     0.0811     0.9774     0.9774    -0.0000
 53   0     0.9143     1.0000     0.0857     0.9758     0.9758     0.0000
 54   0     0.9180     1.0000     0.0820     0.9815     0.9815    -0.0000
 55   0     0.9163     1.0000     0.0837     0.9771     0.9771     0.0000
 56   0     0.9241     1.0000     0.0759     0.9798     0.9798    -0.0000
 57   0     0.9206     1.0000     0.0794     0.9780     0.9780     0.0000
 58   0     0.9189     1.0000     0.0811     0.9769     0.9769     0.0000
 59   0     0.9164     1.0000     0.0836     0.9786     0.9786     0.0000
 60   0     6.1580     6.0000    -0.1580     3.8939     3.8939     0.0000
 61   0     6.1518     6.0000    -0.1518     3.9101     3.9101    -0.0000
 62   0     6.1898     6.0000    -0.1898     3.8708     3.8708    -0.0000
 63   0     6.1943     6.0000    -0.1943     3.8873     3.8873     0.0000
 64   0     6.1681     6.0000    -0.1681     3.8723     3.8723     0.0000
 65   0     0.9151     1.0000     0.0849     0.9799     0.9799     0.0000
 66   0     0.9119     1.0000     0.0881     0.9768     0.9768    -0.0000
 67   0     0.9188     1.0000     0.0812     0.9768     0.9768     0.0000
 68   0     0.8960     1.0000     0.1040     0.9706     0.9706     0.0000
 69   0     0.9064     1.0000     0.0936     0.9746     0.9746    -0.0000
 70   0     0.9348     1.0000     0.0652     0.9856     0.9856     0.0000
 71   0     0.9118     1.0000     0.0882     0.9765     0.9765    -0.0000
 72   0     0.9121     1.0000     0.0879     0.9735     0.9735     0.0000
 73   0     0.9095     1.0000     0.0905     0.9765     0.9765    -0.0000
 74   0     0.9238     1.0000     0.0762     0.9764     0.9764     0.0000
 75   0     6.1484     6.0000    -0.1484     3.9076     3.9076     0.0000
 76   0     6.1525     6.0000    -0.1525     3.9181     3.9181     0.0000
 77   0     6.1385     6.0000    -0.1385     3.8960     3.8960    -0.0000
 78   0     6.1651     6.0000    -0.1651     3.8558     3.8558     0.0000
 79   0     6.1739     6.0000    -0.1739     3.9178     3.9178     0.0000
 80   0     0.9226     1.0000     0.0774     0.9790     0.9790    -0.0000
 81   0     0.9152     1.0000     0.0848     0.9769     0.9769     0.0000
 82   0     0.9188     1.0000     0.0812     0.9781     0.9781     0.0000
 83   0     0.9276     1.0000     0.0724     0.9717     0.9717     0.0000
 84   0     0.9077     1.0000     0.0923     0.9781     0.9781    -0.0000
 85   0     0.9341     1.0000     0.0659     0.9798     0.9798    -0.0000
 86   0     0.9352     1.0000     0.0648     0.9736     0.9736     0.0000
 87   0     0.9291     1.0000     0.0709     0.9629     0.9629     0.0000
 88   0     0.9205     1.0000     0.0795     0.9759     0.9759     0.0000
 89   0     0.9136     1.0000     0.0864     0.9730     0.9730     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                0.974382
                0             6               4            6                0.979205
                0             6               5            1                0.990366
                0             6               6            1                0.993586
                1             6               2            6                0.969336
                1             6               7            1                0.990246
                1             6               8            1                0.993759
                2             6               3            6                0.974452
                2             6               9            1                0.999762
                2             6              10            1                0.990161
                3             6               4            6                0.963036
                3             6              11            1                0.994307
                3             6              12            1                0.991945
                4             6              13            1                0.991263
                4             6              14            1                1.001556
               15             6              16            6                0.966357
               15             6              19            6                0.967657
               15             6              20            1                0.993909
               15             6              21            1                0.993766
               16             6              17            6                0.984648
               16             6              22            1                0.987481
               16             6              23            1                0.999350
               17             6              18            6                0.962892
               17             6              24            1                0.989003
               17             6              25            1                0.996020
               18             6              19            6                0.975854
               18             6              26            1                0.998110
               18             6              27            1                1.000245
               19             6              28            1                1.000981
               19             6              29            1                0.992139
               30             6              31            6                0.961633
               30             6              34            6                0.969562
               30             6              35            1                0.996197
               30             6              36            1                0.994448
               31             6              32            6                0.958388
               31             6              37            1                0.996833
               31             6              38            1                0.993591
               32             6              33            6                0.955714
               32             6              39            1                1.004029
               32             6              40            1                0.994224
               33             6              34            6                0.966965
               33             6              41            1                1.004665
               33             6              42            1                0.994335
               34             6              43            1                0.999854
               34             6              44            1                0.993527
               45             6              46            6                0.977990
               45             6              49            6                0.968554
               45             6              50            1                1.000085
               45             6              51            1                0.992032
               46             6              47            6                0.976916
               46             6              52            1                0.989521
               46             6              53            1                0.989899
               47             6              48            6                0.959618
               47             6              54            1                0.995200
               47             6              55            1                0.983470
               48             6              49            6                0.954429
               48             6              56            1                0.998232
               48             6              57            1                0.991353
               49             6              58            1                0.988020
               49             6              59            1                0.993240
               60             6              61            6                0.990631
               60             6              64            6                0.959378
               60             6              65            1                0.991694
               60             6              66            1                0.985687
               61             6              62            6                0.964155
               61             6              67            1                0.989525
               61             6              68            1                0.983760
               62             6              63            6                0.957992
               62             6              69            1                0.989541
               62             6              70            1                0.993121
               63             6              64            6                0.974850
               63             6              71            1                0.987910
               63             6              72            1                0.990844
               64             6              73            1                0.986862
               64             6              74            1                0.994613
               75             6              76            6                0.977903
               75             6              79            6                0.983031
               75             6              80            1                0.996360
               75             6              81            1                0.990220
               76             6              77            6                0.981857
               76             6              82            1                0.991912
               76             6              83            1                0.997050
               77             6              78            6                0.966326
               77             6              84            1                0.982848
               77             6              85            1                0.995815
               78             6              79            6                0.963493
               78             6              86            1                0.997096
               78             6              87            1                0.983393
               79             6              88            1                0.994862
               79             6              89            1                0.993951
# -----------------------------------------------------------
$ 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     6.2045     6.0000    -0.2045     4.0276     3.7006     0.3270
  1   0     6.1020     6.0000    -0.1020     3.9815     3.6729     0.3086
  2   0     6.1846     6.0000    -0.1846     4.0319     3.7098     0.3221
  3   0     6.1914     6.0000    -0.1914     3.9814     3.6610     0.3204
  4   0     6.1680     6.0000    -0.1680     4.0205     3.6990     0.3215
  5   0     0.8978     1.0000     0.1022     0.9826     0.9329     0.0497
  6   0     0.9264     1.0000     0.0736     0.9853     0.9312     0.0541
  7   0     0.9193     1.0000     0.0807     0.9887     0.9379     0.0508
  8   0     0.9192     1.0000     0.0808     0.9888     0.9402     0.0486
  9   0     0.9319     1.0000     0.0681     1.0048     0.9530     0.0518
 10   0     0.9088     1.0000     0.0912     0.9873     0.9360     0.0513
 11   0     0.9148     1.0000     0.0852     0.9855     0.9344     0.0511
 12   0     0.9165     1.0000     0.0835     0.9843     0.9324     0.0519
 13   0     0.9010     1.0000     0.0990     0.9791     0.9272     0.0519
 14   0     0.9148     1.0000     0.0852     0.9891     0.9377     0.0514
 15   0     6.1096     6.0000    -0.1096     3.9875     3.6619     0.3256
 16   0     6.2101     6.0000    -0.2101     4.0325     3.7031     0.3294
 17   0     6.2148     6.0000    -0.2148     4.0065     3.6766     0.3299
 18   0     6.1103     6.0000    -0.1103     3.9885     3.6759     0.3126
 19   0     6.2139     6.0000    -0.2139     4.0367     3.7062     0.3305
 20   0     0.9393     1.0000     0.0607     0.9989     0.9442     0.0547
 21   0     0.8956     1.0000     0.1044     0.9817     0.9304     0.0513
 22   0     0.9032     1.0000     0.0968     0.9796     0.9271     0.0525
 23   0     0.9105     1.0000     0.0895     0.9823     0.9323     0.0500
 24   0     0.8979     1.0000     0.1021     0.9776     0.9230     0.0546
 25   0     0.9150     1.0000     0.0850     0.9853     0.9333     0.0520
 26   0     0.9133     1.0000     0.0867     0.9825     0.9322     0.0503
 27   0     0.9160     1.0000     0.0840     0.9850     0.9359     0.0491
 28   0     0.9234     1.0000     0.0766     0.9899     0.9359     0.0540
 29   0     0.9263     1.0000     0.0737     0.9938     0.9364     0.0574
 30   0     6.1781     6.0000    -0.1781     3.9986     3.6811     0.3175
 31   0     6.1535     6.0000    -0.1535     3.9689     3.6555     0.3134
 32   0     6.1773     6.0000    -0.1773     4.0064     3.6889     0.3175
 33   0     6.1619     6.0000    -0.1619     3.9852     3.6671     0.3181
 34   0     6.1525     6.0000    -0.1525     4.0150     3.7022     0.3128
 35   0     0.9144     1.0000     0.0856     0.9851     0.9324     0.0527
 36   0     0.9169     1.0000     0.0831     0.9823     0.9280     0.0543
 37   0     0.9095     1.0000     0.0905     0.9855     0.9337     0.0518
 38   0     0.9154     1.0000     0.0846     0.9825     0.9297     0.0528
 39   0     0.9305     1.0000     0.0695     0.9885     0.9394     0.0491
 40   0     0.9117     1.0000     0.0883     0.9861     0.9373     0.0488
 41   0     0.9246     1.0000     0.0754     0.9921     0.9404     0.0517
 42   0     0.9098     1.0000     0.0902     0.9851     0.9333     0.0518
 43   0     0.9264     1.0000     0.0736     0.9963     0.9438     0.0525
 44   0     0.9148     1.0000     0.0852     0.9901     0.9407     0.0494
 45   0     6.1996     6.0000    -0.1996     4.0323     3.7061     0.3262
 46   0     6.1359     6.0000    -0.1359     4.0052     3.6872     0.3180
 47   0     6.1727     6.0000    -0.1727     3.9828     3.6588     0.3240
 48   0     6.2174     6.0000    -0.2174     3.9848     3.6530     0.3318
 49   0     6.1352     6.0000    -0.1352     3.9668     3.6444     0.3224
 50   0     0.9236     1.0000     0.0764     0.9817     0.9251     0.0566
 51   0     0.8978     1.0000     0.1022     0.9837     0.9334     0.0503
 52   0     0.9151     1.0000     0.0849     0.9869     0.9352     0.0517
 53   0     0.9104     1.0000     0.0896     0.9848     0.9311     0.0537
 54   0     0.9140     1.0000     0.0860     0.9910     0.9408     0.0502
 55   0     0.9124     1.0000     0.0876     0.9866     0.9344     0.0522
 56   0     0.9200     1.0000     0.0800     0.9893     0.9391     0.0502
 57   0     0.9168     1.0000     0.0832     0.9879     0.9352     0.0527
 58   0     0.9149     1.0000     0.0851     0.9861     0.9334     0.0527
 59   0     0.9126     1.0000     0.0874     0.9879     0.9360     0.0519
 60   0     6.1653     6.0000    -0.1653     4.0035     3.6761     0.3274
 61   0     6.1598     6.0000    -0.1598     4.0200     3.6917     0.3283
 62   0     6.1965     6.0000    -0.1965     3.9835     3.6528     0.3307
 63   0     6.2019     6.0000    -0.2019     4.0017     3.6647     0.3370
 64   0     6.1760     6.0000    -0.1760     3.9838     3.6562     0.3276
 65   0     0.9113     1.0000     0.0887     0.9892     0.9358     0.0534
 66   0     0.9081     1.0000     0.0919     0.9861     0.9343     0.0518
 67   0     0.9150     1.0000     0.0850     0.9863     0.9292     0.0571
 68   0     0.8922     1.0000     0.1078     0.9792     0.9269     0.0523
 69   0     0.9026     1.0000     0.0974     0.9839     0.9341     0.0498
 70   0     0.9308     1.0000     0.0692     0.9958     0.9395     0.0563
 71   0     0.9081     1.0000     0.0919     0.9861     0.9321     0.0540
 72   0     0.9082     1.0000     0.0918     0.9829     0.9304     0.0525
 73   0     0.9057     1.0000     0.0943     0.9857     0.9336     0.0521
 74   0     0.9200     1.0000     0.0800     0.9862     0.9348     0.0514
 75   0     6.1561     6.0000    -0.1561     4.0142     3.6982     0.3160
 76   0     6.1603     6.0000    -0.1603     4.0240     3.7102     0.3138
 77   0     6.1460     6.0000    -0.1460     4.0027     3.6891     0.3136
 78   0     6.1733     6.0000    -0.1733     3.9688     3.6415     0.3273
 79   0     6.1813     6.0000    -0.1813     4.0255     3.7087     0.3168
 80   0     0.9188     1.0000     0.0812     0.9885     0.9374     0.0511
 81   0     0.9115     1.0000     0.0885     0.9862     0.9348     0.0514
 82   0     0.9150     1.0000     0.0850     0.9875     0.9365     0.0510
 83   0     0.9236     1.0000     0.0764     0.9813     0.9271     0.0542
 84   0     0.9040     1.0000     0.0960     0.9873     0.9364     0.0509
 85   0     0.9301     1.0000     0.0699     0.9896     0.9388     0.0508
 86   0     0.9310     1.0000     0.0690     0.9837     0.9298     0.0539
 87   0     0.9250     1.0000     0.0750     0.9733     0.9185     0.0548
 88   0     0.9167     1.0000     0.0833     0.9854     0.9322     0.0532
 89   0     0.9098     1.0000     0.0902     0.9823     0.9328     0.0495
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.914011
                0             6               4            6                0.910495
                0             6               5            1                0.951046
                0             6               6            1                0.950575
                1             6               2            6                0.906577
                1             6               7            1                0.950524
                1             6               8            1                0.956104
                2             6               3            6                0.909246
                2             6               9            1                0.959498
                2             6              10            1                0.949372
                3             6               4            6                0.904867
                3             6              11            1                0.953384
                3             6              12            1                0.950874
                4             6              13            1                0.949454
                4             6              14            1                0.960937
               15             6              16            6                0.902227
               15             6              19            6                0.905233
               15             6              20            1                0.950566
               15             6              21            1                0.952163
               16             6              17            6                0.918981
               16             6              22            1                0.945174
               16             6              23            1                0.958858
               17             6              18            6                0.901827
               17             6              24            1                0.944467
               17             6              25            1                0.954160
               18             6              19            6                0.913342
               18             6              26            1                0.958268
               18             6              27            1                0.961321
               19             6              28            1                0.957885
               19             6              29            1                0.945757
               30             6              31            6                0.902911
               30             6              34            6                0.908333
               30             6              35            1                0.954199
               30             6              36            1                0.951154
               31             6              32            6                0.896994
               31             6              37            1                0.955330
               31             6              38            1                0.951826
               32             6              33            6                0.891604
               32             6              39            1                0.965424
               32             6              40            1                0.955657
               33             6              34            6                0.906239
               33             6              41            1                0.964300
               33             6              42            1                0.953165
               34             6              43            1                0.958521
               34             6              44            1                0.954608
               45             6              46            6                0.914885
               45             6              49            6                0.905408
               45             6              50            1                0.954286
               45             6              51            1                0.952171
               46             6              47            6                0.916650
               46             6              52            1                0.948705
               46             6              53            1                0.946691
               47             6              48            6                0.889493
               47             6              54            1                0.955492
               47             6              55            1                0.942041
               48             6              49            6                0.892041
               48             6              56            1                0.958519
               48             6              57            1                0.949637
               49             6              58            1                0.945892
               49             6              59            1                0.951827
               60             6              61            6                0.925897
               60             6              64            6                0.893704
               60             6              65            1                0.949098
               60             6              66            1                0.944718
               61             6              62            6                0.902904
               61             6              67            1                0.943360
               61             6              68            1                0.941626
               62             6              63            6                0.889391
               62             6              69            1                0.950105
               62             6              70            1                0.948200
               63             6              64            6                0.908995
               63             6              71            1                0.944945
               63             6              72            1                0.948973
               64             6              73            1                0.945634
               64             6              74            1                0.954182
               75             6              76            6                0.915993
               75             6              79            6                0.920158
               75             6              80            1                0.955794
               75             6              81            1                0.949595
               76             6              77            6                0.922496
               76             6              82            1                0.951737
               76             6              83            1                0.953621
               77             6              78            6                0.902396
               77             6              84            1                0.942839
               77             6              85            1                0.955878
               78             6              79            6                0.902515
               78             6              86            1                0.954180
               78             6              87            1                0.939708
               79             6              88            1                0.952379
               79             6              89            1                0.954770
# -----------------------------------------------------------
$ 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     6.2451     6.0000    -0.2451     4.0074     3.6845     0.3229
  1   0     6.1651     6.0000    -0.1651     3.9790     3.6740     0.3050
  2   0     6.2321     6.0000    -0.2321     4.0099     3.6918     0.3181
  3   0     6.2472     6.0000    -0.2472     3.9927     3.6766     0.3161
  4   0     6.2117     6.0000    -0.2117     4.0132     3.6959     0.3173
  5   0     0.8766     1.0000     0.1234     0.9747     0.9260     0.0487
  6   0     0.9017     1.0000     0.0983     0.9762     0.9231     0.0531
  7   0     0.8922     1.0000     0.1078     0.9795     0.9298     0.0497
  8   0     0.8945     1.0000     0.1055     0.9807     0.9331     0.0476
  9   0     0.9020     1.0000     0.0980     0.9942     0.9436     0.0506
 10   0     0.8859     1.0000     0.1141     0.9787     0.9285     0.0502
 11   0     0.8850     1.0000     0.1150     0.9740     0.9242     0.0498
 12   0     0.8904     1.0000     0.1096     0.9756     0.9249     0.0507
 13   0     0.8806     1.0000     0.1194     0.9723     0.9213     0.0510
 14   0     0.8909     1.0000     0.1091     0.9790     0.9286     0.0504
 15   0     6.1770     6.0000    -0.1770     3.9869     3.6653     0.3216
 16   0     6.2622     6.0000    -0.2622     4.0185     3.6936     0.3249
 17   0     6.2516     6.0000    -0.2516     3.9796     3.6545     0.3251
 18   0     6.1796     6.0000    -0.1796     3.9747     3.6658     0.3089
 19   0     6.2547     6.0000    -0.2547     4.0102     3.6846     0.3256
 20   0     0.9098     1.0000     0.0902     0.9945     0.9413     0.0532
 21   0     0.8718     1.0000     0.1282     0.9747     0.9247     0.0500
 22   0     0.8783     1.0000     0.1217     0.9714     0.9201     0.0513
 23   0     0.8840     1.0000     0.1160     0.9756     0.9268     0.0488
 24   0     0.8739     1.0000     0.1261     0.9701     0.9167     0.0534
 25   0     0.8897     1.0000     0.1103     0.9777     0.9268     0.0509
 26   0     0.8873     1.0000     0.1127     0.9752     0.9261     0.0491
 27   0     0.8901     1.0000     0.1099     0.9768     0.9289     0.0479
 28   0     0.8953     1.0000     0.1047     0.9789     0.9264     0.0525
 29   0     0.8958     1.0000     0.1042     0.9859     0.9300     0.0559
 30   0     6.2210     6.0000    -0.2210     3.9836     3.6706     0.3130
 31   0     6.1994     6.0000    -0.1994     3.9534     3.6442     0.3092
 32   0     6.2350     6.0000    -0.2350     3.9888     3.6751     0.3137
 33   0     6.2106     6.0000    -0.2106     3.9668     3.6527     0.3141
 34   0     6.2089     6.0000    -0.2089     4.0034     3.6944     0.3090
 35   0     0.8898     1.0000     0.1102     0.9759     0.9243     0.0516
 36   0     0.8928     1.0000     0.1072     0.9762     0.9230     0.0532
 37   0     0.8849     1.0000     0.1151     0.9813     0.9307     0.0506
 38   0     0.8918     1.0000     0.1082     0.9745     0.9228     0.0517
 39   0     0.9041     1.0000     0.0959     0.9842     0.9363     0.0479
 40   0     0.8867     1.0000     0.1133     0.9768     0.9290     0.0478
 41   0     0.8974     1.0000     0.1026     0.9898     0.9394     0.0504
 42   0     0.8876     1.0000     0.1124     0.9764     0.9256     0.0508
 43   0     0.8974     1.0000     0.1026     0.9874     0.9362     0.0512
 44   0     0.8903     1.0000     0.1097     0.9801     0.9317     0.0484
 45   0     6.2480     6.0000    -0.2480     4.0041     3.6820     0.3221
 46   0     6.1883     6.0000    -0.1883     3.9942     3.6806     0.3136
 47   0     6.2180     6.0000    -0.2180     3.9672     3.6475     0.3197
 48   0     6.2690     6.0000    -0.2690     3.9607     3.6332     0.3275
 49   0     6.1909     6.0000    -0.1909     3.9620     3.6440     0.3180
 50   0     0.8961     1.0000     0.1039     0.9725     0.9170     0.0555
 51   0     0.8750     1.0000     0.1250     0.9764     0.9272     0.0492
 52   0     0.8911     1.0000     0.1089     0.9796     0.9289     0.0507
 53   0     0.8869     1.0000     0.1131     0.9769     0.9242     0.0527
 54   0     0.8898     1.0000     0.1102     0.9840     0.9349     0.0491
 55   0     0.8909     1.0000     0.1091     0.9817     0.9306     0.0511
 56   0     0.8910     1.0000     0.1090     0.9796     0.9306     0.0490
 57   0     0.8866     1.0000     0.1134     0.9798     0.9284     0.0514
 58   0     0.8904     1.0000     0.1096     0.9782     0.9265     0.0517
 59   0     0.8873     1.0000     0.1127     0.9827     0.9320     0.0507
 60   0     6.2130     6.0000    -0.2130     3.9904     3.6672     0.3232
 61   0     6.2003     6.0000    -0.2003     4.0150     3.6916     0.3234
 62   0     6.2475     6.0000    -0.2475     3.9908     3.6648     0.3260
 63   0     6.2426     6.0000    -0.2426     3.9798     3.6470     0.3328
 64   0     6.2285     6.0000    -0.2285     3.9678     3.6443     0.3235
 65   0     0.8876     1.0000     0.1124     0.9802     0.9278     0.0524
 66   0     0.8869     1.0000     0.1131     0.9789     0.9280     0.0509
 67   0     0.8923     1.0000     0.1077     0.9779     0.9218     0.0561
 68   0     0.8753     1.0000     0.1247     0.9736     0.9221     0.0515
 69   0     0.8790     1.0000     0.1210     0.9759     0.9272     0.0487
 70   0     0.9017     1.0000     0.0983     0.9840     0.9289     0.0551
 71   0     0.8857     1.0000     0.1143     0.9782     0.9253     0.0529
 72   0     0.8846     1.0000     0.1154     0.9748     0.9234     0.0514
 73   0     0.8813     1.0000     0.1187     0.9766     0.9256     0.0510
 74   0     0.8941     1.0000     0.1059     0.9770     0.9267     0.0503
 75   0     6.2114     6.0000    -0.2114     4.0013     3.6891     0.3122
 76   0     6.2057     6.0000    -0.2057     4.0047     3.6952     0.3095
 77   0     6.1981     6.0000    -0.1981     3.9852     3.6756     0.3096
 78   0     6.2303     6.0000    -0.2303     3.9550     3.6320     0.3230
 79   0     6.2260     6.0000    -0.2260     4.0031     3.6904     0.3127
 80   0     0.8925     1.0000     0.1075     0.9794     0.9294     0.0500
 81   0     0.8887     1.0000     0.1113     0.9783     0.9279     0.0504
 82   0     0.8928     1.0000     0.1072     0.9804     0.9303     0.0501
 83   0     0.8972     1.0000     0.1028     0.9737     0.9206     0.0531
 84   0     0.8822     1.0000     0.1178     0.9801     0.9302     0.0499
 85   0     0.9022     1.0000     0.0978     0.9805     0.9308     0.0497
 86   0     0.9039     1.0000     0.0961     0.9755     0.9228     0.0527
 87   0     0.8932     1.0000     0.1068     0.9673     0.9140     0.0533
 88   0     0.8911     1.0000     0.1089     0.9767     0.9246     0.0521
 89   0     0.8851     1.0000     0.1149     0.9756     0.9271     0.0485
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.928032
                0             6               4            6                0.912409
                0             6               5            1                0.937704
                0             6               6            1                0.935576
                1             6               2            6                0.915454
                1             6               7            1                0.936912
                1             6               8            1                0.944310
                2             6               3            6                0.917148
                2             6               9            1                0.945599
                2             6              10            1                0.934442
                3             6               4            6                0.929474
                3             6              11            1                0.939132
                3             6              12            1                0.937029
                4             6              13            1                0.935564
                4             6              14            1                0.945304
               15             6              16            6                0.915836
               15             6              19            6                0.919370
               15             6              20            1                0.934534
               15             6              21            1                0.937733
               16             6              17            6                0.917167
               16             6              22            1                0.932587
               16             6              23            1                0.945373
               17             6              18            6                0.911642
               17             6              24            1                0.928525
               17             6              25            1                0.941612
               18             6              19            6                0.917572
               18             6              26            1                0.944251
               18             6              27            1                0.947274
               19             6              28            1                0.939416
               19             6              29            1                0.929659
               30             6              31            6                0.917816
               30             6              34            6                0.918166
               30             6              35            1                0.937891
               30             6              36            1                0.936639
               31             6              32            6                0.904501
               31             6              37            1                0.942866
               31             6              38            1                0.935206
               32             6              33            6                0.893956
               32             6              39            1                0.955125
               32             6              40            1                0.942934
               33             6              34            6                0.917529
               33             6              41            1                0.954607
               33             6              42            1                0.935835
               34             6              43            1                0.942346
               34             6              44            1                0.941490
               45             6              46            6                0.921277
               45             6              49            6                0.912604
               45             6              50            1                0.938309
               45             6              51            1                0.938275
               46             6              47            6                0.931610
               46             6              52            1                0.936942
               46             6              53            1                0.930547
               47             6              48            6                0.886204
               47             6              54            1                0.945334
               47             6              55            1                0.930217
               48             6              49            6                0.900929
               48             6              56            1                0.948503
               48             6              57            1                0.935855
               49             6              58            1                0.932294
               49             6              59            1                0.940928
               60             6              61            6                0.938735
               60             6              64            6                0.899992
               60             6              65            1                0.934852
               60             6              66            1                0.932410
               61             6              62            6                0.923274
               61             6              67            1                0.926244
               61             6              68            1                0.928590
               62             6              63            6                0.898150
               62             6              69            1                0.939720
               62             6              70            1                0.931555
               63             6              64            6                0.915422
               63             6              71            1                0.931329
               63             6              72            1                0.937015
               64             6              73            1                0.931970
               64             6              74            1                0.942911
               75             6              76            6                0.927495
               75             6              79            6                0.926131
               75             6              80            1                0.944386
               75             6              81            1                0.934733
               76             6              77            6                0.931698
               76             6              82            1                0.937219
               76             6              83            1                0.940002
               77             6              78            6                0.905945
               77             6              84            1                0.930254
               77             6              85            1                0.945635
               78             6              79            6                0.910700
               78             6              86            1                0.943362
               78             6              87            1                0.923283
               79             6              88            1                0.934131
               79             6              89            1                0.945672
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2128168927
        Correlation Energy:       -5.0642570231
        Total MP2 Energy:      -1176.2770739158
# -----------------------------------------------------------
$ 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) :        0.1747651677
        Electronic Contribution:
                  0    
      0      -0.785044
      1      -0.047921
      2      -0.029487
        Nuclear Contribution:
                  0    
      0       0.811372
      1       0.024100
      2       0.088367
        Total Dipole moment:
                  0    
      0       0.026329
      1      -0.023821
      2       0.058880
# -----------------------------------------------------------
$ 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) :        0.1769697923
        Electronic Contribution:
                  0    
      0      -0.784505
      1      -0.048240
      2      -0.028845
        Nuclear Contribution:
                  0    
      0       0.811372
      1       0.024100
      2       0.088367
        Total Dipole moment:
                  0    
      0       0.026867
      1      -0.024140
      2       0.059522
# -----------------------------------------------------------
$ 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) :        0.2112636613
        Electronic Contribution:
                  0    
      0      -0.762132
      1      -0.044127
      2      -0.024473
        Nuclear Contribution:
                  0    
      0       0.811372
      1       0.024100
      2       0.088367
        Total Dipole moment:
                  0    
      0       0.049241
      1      -0.020027
      2       0.063895
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     17.690000000000   13.590000000000   23.820000000000
               1 C     16.470000000000   14.310000000000   24.300000000000
               2 C     16.120000000000   15.280000000000   23.140000000000
               3 C     16.450000000000   14.430000000000   21.850000000000
               4 C     17.530000000000   13.490000000000   22.190000000000
               5 H     17.910000000000   12.690000000000   24.360000000000
               6 H     18.570000000000   14.210000000000   24.080000000000
               7 H     16.690000000000   14.870000000000   25.190000000000
               8 H     15.760000000000   13.590000000000   24.530000000000
               9 H     16.670000000000   16.180000000000   23.240000000000
              10 H     15.090000000000   15.620000000000   23.170000000000
              11 H     16.820000000000   15.000000000000   21.030000000000
              12 H     15.510000000000   14.060000000000   21.460000000000
              13 H     18.470000000000   13.670000000000   21.620000000000
              14 H     17.240000000000   12.490000000000   21.930000000000
              15 C     15.670000000000   16.900000000000   18.640000000000
              16 C     15.010000000000   17.640000000000   17.430000000000
              17 C     13.640000000000   18.200000000000   17.940000000000
              18 C     13.470000000000   17.720000000000   19.380000000000
              19 C     14.800000000000   17.150000000000   19.880000000000
              20 H     16.690000000000   17.320000000000   18.770000000000
              21 H     15.790000000000   15.830000000000   18.440000000000
              22 H     14.930000000000   16.940000000000   16.580000000000
              23 H     15.620000000000   18.450000000000   17.130000000000
              24 H     12.800000000000   17.830000000000   17.250000000000
              25 H     13.700000000000   19.290000000000   17.950000000000
              26 H     12.670000000000   17.030000000000   19.410000000000
              27 H     13.160000000000   18.510000000000   19.990000000000
              28 H     14.620000000000   16.240000000000   20.450000000000
              29 H     15.150000000000   17.820000000000   20.760000000000
              30 C     18.670000000000   20.690000000000   17.090000000000
              31 C     19.540000000000   21.030000000000   18.240000000000
              32 C     20.090000000000   19.770000000000   18.880000000000
              33 C     19.520000000000   18.600000000000   18.000000000000
              34 C     18.760000000000   19.190000000000   16.830000000000
              35 H     18.920000000000   21.220000000000   16.150000000000
              36 H     17.680000000000   21.120000000000   17.380000000000
              37 H     18.980000000000   21.660000000000   18.940000000000
              38 H     20.480000000000   21.530000000000   17.990000000000
              39 H     19.820000000000   19.680000000000   19.860000000000
              40 H     21.140000000000   19.690000000000   18.920000000000
              41 H     18.870000000000   18.030000000000   18.590000000000
              42 H     20.300000000000   17.880000000000   17.700000000000
              43 H     17.810000000000   18.680000000000   16.710000000000
              44 H     19.260000000000   19.050000000000   15.910000000000
              45 C     18.180000000000   21.520000000000   23.250000000000
              46 C     17.370000000000   20.440000000000   23.990000000000
              47 C     16.900000000000   19.430000000000   22.970000000000
              48 C     17.180000000000   20.110000000000   21.510000000000
              49 C     18.110000000000   21.310000000000   21.710000000000
              50 H     19.280000000000   21.360000000000   23.500000000000
              51 H     18.010000000000   22.510000000000   23.640000000000
              52 H     16.540000000000   20.950000000000   24.480000000000
              53 H     18.040000000000   19.960000000000   24.770000000000
              54 H     15.850000000000   19.300000000000   22.910000000000
              55 H     17.450000000000   18.480000000000   23.040000000000
              56 H     16.220000000000   20.390000000000   21.190000000000
              57 H     17.590000000000   19.430000000000   20.770000000000
              58 H     17.600000000000   22.160000000000   21.220000000000
              59 H     19.060000000000   21.070000000000   21.230000000000
              60 C     11.790000000000   11.840000000000   17.630000000000
              61 C     11.820000000000   13.420000000000   17.730000000000
              62 C     13.170000000000   13.890000000000   18.270000000000
              63 C     14.110000000000   12.550000000000   18.220000000000
              64 C     13.290000000000   11.410000000000   17.480000000000
              65 H     11.370000000000   11.420000000000   16.690000000000
              66 H     11.460000000000   11.260000000000   18.500000000000
              67 H     11.070000000000   13.750000000000   18.560000000000
              68 H     11.540000000000   13.850000000000   16.730000000000
              69 H     13.170000000000   14.340000000000   19.220000000000
              70 H     13.680000000000   14.700000000000   17.660000000000
              71 H     14.430000000000   12.240000000000   19.250000000000
              72 H     15.010000000000   12.700000000000   17.620000000000
              73 H     13.500000000000   10.400000000000   17.870000000000
              74 H     13.560000000000   11.380000000000   16.440000000000
              75 C     13.040000000000   20.340000000000   12.640000000000
              76 C     11.760000000000   20.470000000000   13.460000000000
              77 C     11.950000000000   19.910000000000   14.820000000000
              78 C     13.310000000000   19.140000000000   14.730000000000
              79 C     14.100000000000   19.670000000000   13.550000000000
              80 H     13.390000000000   21.320000000000   12.370000000000
              81 H     12.870000000000   19.810000000000   11.700000000000
              82 H     10.940000000000   20.020000000000   12.910000000000
              83 H     11.560000000000   21.560000000000   13.620000000000
              84 H     11.080000000000   19.350000000000   15.170000000000
              85 H     12.140000000000   20.700000000000   15.500000000000
              86 H     13.120000000000   18.070000000000   14.550000000000
              87 H     13.890000000000   19.160000000000   15.680000000000
              88 H     14.600000000000   18.760000000000   13.170000000000
              89 H     14.890000000000   20.330000000000   13.800000000000
