-------------------------------------------------------------
----------------------- !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:    -1171.2215252738
# -----------------------------------------------------------
$ 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     6.1666     6.0000    -0.1666     3.9161     3.9161    -0.0000
  1   0     6.1737     6.0000    -0.1737     3.8969     3.8969    -0.0000
  2   0     6.1670     6.0000    -0.1670     3.8581     3.8581     0.0000
  3   0     6.1835     6.0000    -0.1835     3.8907     3.8907    -0.0000
  4   0     6.1341     6.0000    -0.1341     3.8950     3.8950    -0.0000
  5   0     0.9125     1.0000     0.0875     0.9748     0.9748    -0.0000
  6   0     0.9199     1.0000     0.0801     0.9749     0.9749    -0.0000
  7   0     0.9171     1.0000     0.0829     0.9749     0.9749    -0.0000
  8   0     0.9204     1.0000     0.0796     0.9763     0.9763    -0.0000
  9   0     0.9216     1.0000     0.0784     0.9756     0.9756     0.0000
 10   0     0.9236     1.0000     0.0764     0.9760     0.9760     0.0000
 11   0     0.9132     1.0000     0.0868     0.9751     0.9751    -0.0000
 12   0     0.9185     1.0000     0.0815     0.9722     0.9722    -0.0000
 13   0     0.9071     1.0000     0.0929     0.9771     0.9771    -0.0000
 14   0     0.9199     1.0000     0.0801     0.9747     0.9747     0.0000
 15   0     6.1448     6.0000    -0.1448     3.8995     3.8995    -0.0000
 16   0     6.1629     6.0000    -0.1629     3.9129     3.9129    -0.0000
 17   0     6.1814     6.0000    -0.1814     3.9196     3.9196    -0.0000
 18   0     6.1000     6.0000    -0.1000     3.8882     3.8882    -0.0000
 19   0     6.1954     6.0000    -0.1954     3.9080     3.9080    -0.0000
 20   0     0.9122     1.0000     0.0878     0.9723     0.9723     0.0000
 21   0     0.9310     1.0000     0.0690     0.9865     0.9865    -0.0000
 22   0     0.9214     1.0000     0.0786     0.9793     0.9793    -0.0000
 23   0     0.9188     1.0000     0.0812     0.9768     0.9768    -0.0000
 24   0     0.9283     1.0000     0.0717     0.9819     0.9819     0.0000
 25   0     0.9179     1.0000     0.0821     0.9774     0.9774     0.0000
 26   0     0.9275     1.0000     0.0725     0.9838     0.9838     0.0000
 27   0     0.9170     1.0000     0.0830     0.9758     0.9758    -0.0000
 28   0     0.9178     1.0000     0.0822     0.9754     0.9754    -0.0000
 29   0     0.9238     1.0000     0.0762     0.9758     0.9758    -0.0000
 30   0     6.1890     6.0000    -0.1890     3.8829     3.8829    -0.0000
 31   0     6.1958     6.0000    -0.1958     3.8732     3.8732    -0.0000
 32   0     6.1458     6.0000    -0.1458     3.8737     3.8737    -0.0000
 33   0     6.2018     6.0000    -0.2018     3.8956     3.8956    -0.0000
 34   0     6.1009     6.0000    -0.1009     3.8769     3.8769    -0.0000
 35   0     0.9228     1.0000     0.0772     0.9740     0.9740    -0.0000
 36   0     0.9139     1.0000     0.0861     0.9733     0.9733     0.0000
 37   0     0.9199     1.0000     0.0801     0.9736     0.9736    -0.0000
 38   0     0.9129     1.0000     0.0871     0.9783     0.9783    -0.0000
 39   0     0.9208     1.0000     0.0792     0.9804     0.9804    -0.0000
 40   0     0.9051     1.0000     0.0949     0.9755     0.9755    -0.0000
 41   0     0.9138     1.0000     0.0862     0.9714     0.9714    -0.0000
 42   0     0.9166     1.0000     0.0834     0.9737     0.9737    -0.0000
 43   0     0.9202     1.0000     0.0798     0.9835     0.9835     0.0000
 44   0     0.9208     1.0000     0.0792     0.9726     0.9726     0.0000
 45   0     6.1966     6.0000    -0.1966     3.9098     3.9098     0.0000
 46   0     6.0939     6.0000    -0.0939     3.8830     3.8830     0.0000
 47   0     6.1673     6.0000    -0.1673     3.8816     3.8816     0.0000
 48   0     6.1896     6.0000    -0.1896     3.8861     3.8861     0.0000
 49   0     6.1579     6.0000    -0.1579     3.9038     3.9038     0.0000
 50   0     0.9206     1.0000     0.0794     0.9727     0.9727    -0.0000
 51   0     0.9093     1.0000     0.0907     0.9771     0.9771     0.0000
 52   0     0.9290     1.0000     0.0710     0.9805     0.9805     0.0000
 53   0     0.9188     1.0000     0.0812     0.9783     0.9783    -0.0000
 54   0     0.9308     1.0000     0.0692     0.9816     0.9816     0.0000
 55   0     0.9261     1.0000     0.0739     0.9772     0.9772     0.0000
 56   0     0.9234     1.0000     0.0766     0.9730     0.9730     0.0000
 57   0     0.9159     1.0000     0.0841     0.9722     0.9722     0.0000
 58   0     0.9042     1.0000     0.0958     0.9739     0.9739     0.0000
 59   0     0.9192     1.0000     0.0808     0.9821     0.9821    -0.0000
 60   0     6.1957     6.0000    -0.1957     3.9056     3.9056    -0.0000
 61   0     6.1238     6.0000    -0.1238     3.8706     3.8706     0.0000
 62   0     6.2044     6.0000    -0.2044     3.8916     3.8916    -0.0000
 63   0     6.1783     6.0000    -0.1783     3.8910     3.8910    -0.0000
 64   0     6.1263     6.0000    -0.1263     3.8613     3.8613     0.0000
 65   0     0.9206     1.0000     0.0794     0.9733     0.9733     0.0000
 66   0     0.9194     1.0000     0.0806     0.9747     0.9747     0.0000
 67   0     0.9192     1.0000     0.0808     0.9817     0.9817     0.0000
 68   0     0.9111     1.0000     0.0889     0.9799     0.9799    -0.0000
 69   0     0.9098     1.0000     0.0902     0.9764     0.9764    -0.0000
 70   0     0.9114     1.0000     0.0886     0.9729     0.9729    -0.0000
 71   0     0.9079     1.0000     0.0921     0.9750     0.9750     0.0000
 72   0     0.9205     1.0000     0.0795     0.9809     0.9809     0.0000
 73   0     0.9140     1.0000     0.0860     0.9775     0.9775     0.0000
 74   0     0.9383     1.0000     0.0617     0.9785     0.9785    -0.0000
 75   0     6.1630     6.0000    -0.1630     3.8868     3.8868    -0.0000
 76   0     6.1938     6.0000    -0.1938     3.9046     3.9046     0.0000
 77   0     6.1169     6.0000    -0.1169     3.8880     3.8880    -0.0000
 78   0     6.1751     6.0000    -0.1751     3.8656     3.8656    -0.0000
 79   0     6.1737     6.0000    -0.1737     3.8709     3.8709    -0.0000
 80   0     0.9221     1.0000     0.0779     0.9766     0.9766    -0.0000
 81   0     0.9072     1.0000     0.0928     0.9734     0.9734     0.0000
 82   0     0.9131     1.0000     0.0869     0.9779     0.9779     0.0000
 83   0     0.9155     1.0000     0.0845     0.9738     0.9738     0.0000
 84   0     0.9148     1.0000     0.0852     0.9783     0.9783    -0.0000
 85   0     0.9165     1.0000     0.0835     0.9804     0.9804    -0.0000
 86   0     0.9175     1.0000     0.0825     0.9760     0.9760    -0.0000
 87   0     0.9231     1.0000     0.0769     0.9758     0.9758    -0.0000
 88   0     0.9174     1.0000     0.0826     0.9761     0.9761     0.0000
 89   0     0.9281     1.0000     0.0719     0.9805     0.9805     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                0.974802
                0             6               4            6                0.975248
                0             6               5            1                0.997377
                0             6               6            1                0.994051
                1             6               2            6                0.964460
                1             6               7            1                0.989699
                1             6               8            1                0.995949
                2             6               3            6                0.945111
                2             6               9            1                0.995762
                2             6              10            1                1.001408
                3             6               4            6                0.974616
                3             6              11            1                0.996257
                3             6              12            1                0.995741
                4             6              13            1                0.989647
                4             6              14            1                0.993007
               15             6              16            6                0.981575
               15             6              19            6                0.970593
               15             6              20            1                0.988406
               15             6              21            1                0.996404
               16             6              17            6                0.983043
               16             6              22            1                0.992052
               16             6              23            1                0.986286
               17             6              18            6                0.975175
               17             6              24            1                0.995401
               17             6              25            1                0.988632
               18             6              19            6                0.975245
               18             6              26            1                0.994017
               18             6              27            1                0.984661
               19             6              28            1                0.994155
               19             6              29            1                0.993115
               30             6              31            6                0.956435
               30             6              34            6                0.967515
               30             6              35            1                0.995685
               30             6              36            1                0.990390
               31             6              32            6                0.963377
               31             6              37            1                0.993393
               31             6              38            1                0.993335
               32             6              33            6                0.962628
               32             6              39            1                0.997727
               32             6              40            1                0.984447
               33             6              34            6                0.969322
               33             6              41            1                0.992383
               33             6              42            1                0.992547
               34             6              43            1                0.993921
               34             6              44            1                0.987307
               45             6              46            6                0.971439
               45             6              49            6                0.979857
               45             6              50            1                0.987221
               45             6              51            1                0.990261
               46             6              47            6                0.969486
               46             6              52            1                0.995493
               46             6              53            1                0.986124
               47             6              48            6                0.959315
               47             6              54            1                0.990832
               47             6              55            1                0.996992
               48             6              49            6                0.977593
               48             6              56            1                0.988342
               48             6              57            1                0.993651
               49             6              58            1                0.983298
               49             6              59            1                0.993361
               60             6              61            6                0.964325
               60             6              64            6                0.962911
               60             6              65            1                1.000232
               60             6              66            1                0.993117
               61             6              62            6                0.964567
               61             6              67            1                0.992197
               61             6              68            1                0.989878
               62             6              63            6                0.976521
               62             6              69            1                0.987092
               62             6              70            1                0.986737
               63             6              64            6                0.965705
               63             6              71            1                0.982697
               63             6              72            1                0.992287
               64             6              73            1                0.986954
               64             6              74            1                0.995698
               75             6              76            6                0.968108
               75             6              79            6                0.964857
               75             6              80            1                0.996832
               75             6              81            1                0.989812
               76             6              77            6                0.976831
               76             6              82            1                0.988838
               76             6              83            1                0.998578
               77             6              78            6                0.957636
               77             6              84            1                0.987658
               77             6              85            1                0.994343
               78             6              79            6                0.955084
               78             6              86            1                0.991351
               78             6              87            1                1.001850
               79             6              88            1                0.991731
               79             6              89            1                1.000525
# -----------------------------------------------------------
$ 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     6.1746     6.0000    -0.1746     4.0248     3.7066     0.3182
  1   0     6.1810     6.0000    -0.1810     4.0055     3.6858     0.3197
  2   0     6.1736     6.0000    -0.1736     3.9672     3.6502     0.3170
  3   0     6.1915     6.0000    -0.1915     4.0019     3.6799     0.3220
  4   0     6.1413     6.0000    -0.1413     4.0008     3.6822     0.3186
  5   0     0.9087     1.0000     0.0913     0.9839     0.9332     0.0507
  6   0     0.9162     1.0000     0.0838     0.9846     0.9322     0.0524
  7   0     0.9134     1.0000     0.0866     0.9843     0.9325     0.0518
  8   0     0.9166     1.0000     0.0834     0.9858     0.9339     0.0519
  9   0     0.9178     1.0000     0.0822     0.9854     0.9335     0.0519
 10   0     0.9200     1.0000     0.0800     0.9860     0.9346     0.0514
 11   0     0.9095     1.0000     0.0905     0.9844     0.9337     0.0507
 12   0     0.9148     1.0000     0.0852     0.9817     0.9279     0.0538
 13   0     0.9033     1.0000     0.0967     0.9861     0.9350     0.0511
 14   0     0.9162     1.0000     0.0838     0.9844     0.9293     0.0551
 15   0     6.1529     6.0000    -0.1529     4.0071     3.6886     0.3185
 16   0     6.1706     6.0000    -0.1706     4.0207     3.7035     0.3172
 17   0     6.1891     6.0000    -0.1891     4.0293     3.7066     0.3227
 18   0     6.1082     6.0000    -0.1082     3.9944     3.6789     0.3155
 19   0     6.2033     6.0000    -0.2033     4.0192     3.7000     0.3192
 20   0     0.9083     1.0000     0.0917     0.9814     0.9275     0.0539
 21   0     0.9271     1.0000     0.0729     0.9962     0.9452     0.0510
 22   0     0.9171     1.0000     0.0829     0.9882     0.9378     0.0504
 23   0     0.9148     1.0000     0.0852     0.9862     0.9334     0.0528
 24   0     0.9248     1.0000     0.0752     0.9923     0.9393     0.0530
 25   0     0.9138     1.0000     0.0862     0.9867     0.9346     0.0521
 26   0     0.9237     1.0000     0.0763     0.9936     0.9421     0.0515
 27   0     0.9130     1.0000     0.0870     0.9852     0.9325     0.0527
 28   0     0.9139     1.0000     0.0861     0.9846     0.9342     0.0504
 29   0     0.9197     1.0000     0.0803     0.9854     0.9310     0.0544
 30   0     6.1965     6.0000    -0.1965     3.9927     3.6717     0.3210
 31   0     6.2029     6.0000    -0.2029     3.9857     3.6547     0.3310
 32   0     6.1531     6.0000    -0.1531     3.9826     3.6582     0.3244
 33   0     6.2097     6.0000    -0.2097     4.0076     3.6803     0.3273
 34   0     6.1082     6.0000    -0.1082     3.9801     3.6705     0.3096
 35   0     0.9190     1.0000     0.0810     0.9836     0.9305     0.0531
 36   0     0.9103     1.0000     0.0897     0.9828     0.9292     0.0536
 37   0     0.9163     1.0000     0.0837     0.9836     0.9293     0.0543
 38   0     0.9092     1.0000     0.0908     0.9877     0.9369     0.0508
 39   0     0.9170     1.0000     0.0830     0.9899     0.9395     0.0504
 40   0     0.9014     1.0000     0.0986     0.9846     0.9339     0.0507
 41   0     0.9100     1.0000     0.0900     0.9808     0.9263     0.0545
 42   0     0.9129     1.0000     0.0871     0.9833     0.9294     0.0539
 43   0     0.9164     1.0000     0.0836     0.9928     0.9440     0.0488
 44   0     0.9170     1.0000     0.0830     0.9821     0.9257     0.0564
 45   0     6.2043     6.0000    -0.2043     4.0206     3.6936     0.3270
 46   0     6.1019     6.0000    -0.1019     3.9875     3.6794     0.3081
 47   0     6.1751     6.0000    -0.1751     3.9913     3.6711     0.3202
 48   0     6.1972     6.0000    -0.1972     3.9960     3.6710     0.3250
 49   0     6.1656     6.0000    -0.1656     4.0131     3.6862     0.3269
 50   0     0.9168     1.0000     0.0832     0.9823     0.9267     0.0556
 51   0     0.9054     1.0000     0.0946     0.9861     0.9342     0.0519
 52   0     0.9251     1.0000     0.0749     0.9904     0.9399     0.0505
 53   0     0.9148     1.0000     0.0852     0.9877     0.9364     0.0513
 54   0     0.9274     1.0000     0.0726     0.9925     0.9367     0.0558
 55   0     0.9220     1.0000     0.0780     0.9869     0.9339     0.0530
 56   0     0.9196     1.0000     0.0804     0.9827     0.9271     0.0556
 57   0     0.9120     1.0000     0.0880     0.9814     0.9283     0.0531
 58   0     0.9005     1.0000     0.0995     0.9830     0.9304     0.0526
 59   0     0.9154     1.0000     0.0846     0.9915     0.9404     0.0511
 60   0     6.2036     6.0000    -0.2036     4.0159     3.6954     0.3205
 61   0     6.1312     6.0000    -0.1312     3.9773     3.6629     0.3144
 62   0     6.2116     6.0000    -0.2116     4.0047     3.6685     0.3362
 63   0     6.1865     6.0000    -0.1865     4.0042     3.6678     0.3364
 64   0     6.1338     6.0000    -0.1338     3.9676     3.6539     0.3137
 65   0     0.9168     1.0000     0.0832     0.9828     0.9308     0.0520
 66   0     0.9156     1.0000     0.0844     0.9843     0.9312     0.0531
 67   0     0.9155     1.0000     0.0845     0.9912     0.9416     0.0496
 68   0     0.9073     1.0000     0.0927     0.9890     0.9397     0.0493
 69   0     0.9061     1.0000     0.0939     0.9857     0.9328     0.0529
 70   0     0.9078     1.0000     0.0922     0.9825     0.9281     0.0544
 71   0     0.9041     1.0000     0.0959     0.9842     0.9317     0.0525
 72   0     0.9167     1.0000     0.0833     0.9904     0.9355     0.0549
 73   0     0.9101     1.0000     0.0899     0.9866     0.9364     0.0502
 74   0     0.9344     1.0000     0.0656     0.9887     0.9340     0.0547
 75   0     6.1709     6.0000    -0.1709     3.9971     3.6738     0.3233
 76   0     6.2009     6.0000    -0.2009     4.0156     3.6891     0.3265
 77   0     6.1246     6.0000    -0.1246     3.9942     3.6783     0.3159
 78   0     6.1829     6.0000    -0.1829     3.9768     3.6544     0.3224
 79   0     6.1809     6.0000    -0.1809     3.9811     3.6585     0.3226
 80   0     0.9182     1.0000     0.0818     0.9860     0.9340     0.0520
 81   0     0.9036     1.0000     0.0964     0.9826     0.9320     0.0506
 82   0     0.9094     1.0000     0.0906     0.9875     0.9354     0.0521
 83   0     0.9117     1.0000     0.0883     0.9834     0.9323     0.0511
 84   0     0.9111     1.0000     0.0889     0.9877     0.9377     0.0500
 85   0     0.9126     1.0000     0.0874     0.9895     0.9389     0.0506
 86   0     0.9138     1.0000     0.0862     0.9858     0.9337     0.0521
 87   0     0.9191     1.0000     0.0809     0.9854     0.9306     0.0548
 88   0     0.9136     1.0000     0.0864     0.9855     0.9331     0.0524
 89   0     0.9244     1.0000     0.0756     0.9903     0.9377     0.0526
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.912142
                0             6               4            6                0.913622
                0             6               5            1                0.956923
                0             6               6            1                0.952503
                1             6               2            6                0.901678
                1             6               7            1                0.948632
                1             6               8            1                0.954530
                2             6               3            6                0.884132
                2             6               9            1                0.954714
                2             6              10            1                0.960850
                3             6               4            6                0.911522
                3             6              11            1                0.956165
                3             6              12            1                0.952632
                4             6              13            1                0.949034
                4             6              14            1                0.948830
               15             6              16            6                0.919252
               15             6              19            6                0.908862
               15             6              20            1                0.945006
               15             6              21            1                0.956225
               16             6              17            6                0.920790
               16             6              22            1                0.951748
               16             6              23            1                0.944305
               17             6              18            6                0.910779
               17             6              24            1                0.953835
               17             6              25            1                0.947219
               18             6              19            6                0.915890
               18             6              26            1                0.953532
               18             6              27            1                0.942816
               19             6              28            1                0.954421
               19             6              29            1                0.949628
               30             6              31            6                0.892330
               30             6              34            6                0.909032
               30             6              35            1                0.953360
               30             6              36            1                0.947679
               31             6              32            6                0.895316
               31             6              37            1                0.950244
               31             6              38            1                0.953210
               32             6              33            6                0.898571
               32             6              39            1                0.957830
               32             6              40            1                0.944458
               33             6              34            6                0.908437
               33             6              41            1                0.948583
               33             6              42            1                0.949476
               34             6              43            1                0.955748
               34             6              44            1                0.941887
               45             6              46            6                0.912187
               45             6              49            6                0.912885
               45             6              50            1                0.942764
               45             6              51            1                0.948827
               46             6              47            6                0.908534
               46             6              52            1                0.956195
               46             6              53            1                0.945885
               47             6              48            6                0.898960
               47             6              54            1                0.947399
               47             6              55            1                0.954793
               48             6              49            6                0.913068
               48             6              56            1                0.943870
               48             6              57            1                0.950941
               49             6              58            1                0.941329
               49             6              59            1                0.952852
               60             6              61            6                0.900802
               60             6              64            6                0.903551
               60             6              65            1                0.958779
               60             6              66            1                0.951107
               61             6              62            6                0.901582
               61             6              67            1                0.953392
               61             6              68            1                0.951056
               62             6              63            6                0.905445
               62             6              69            1                0.945022
               62             6              70            1                0.943287
               63             6              64            6                0.903318
               63             6              71            1                0.941020
               63             6              72            1                0.948101
               64             6              73            1                0.947472
               64             6              74            1                0.952459
               75             6              76            6                0.903409
               75             6              79            6                0.901413
               75             6              80            1                0.955477
               75             6              81            1                0.949808
               76             6              77            6                0.910892
               76             6              82            1                0.947827
               76             6              83            1                0.957980
               77             6              78            6                0.897237
               77             6              84            1                0.948593
               77             6              85            1                0.954126
               78             6              79            6                0.892532
               78             6              86            1                0.950362
               78             6              87            1                0.957593
               79             6              88            1                0.949941
               79             6              89            1                0.958815
# -----------------------------------------------------------
$ 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     6.2303     6.0000    -0.2303     4.0098     3.6954     0.3144
  1   0     6.2287     6.0000    -0.2287     3.9879     3.6722     0.3157
  2   0     6.2299     6.0000    -0.2299     3.9571     3.6441     0.3130
  3   0     6.2440     6.0000    -0.2440     3.9914     3.6734     0.3180
  4   0     6.1899     6.0000    -0.1899     3.9922     3.6776     0.3146
  5   0     0.8826     1.0000     0.1174     0.9744     0.9247     0.0497
  6   0     0.8897     1.0000     0.1103     0.9756     0.9243     0.0513
  7   0     0.8884     1.0000     0.1116     0.9772     0.9266     0.0506
  8   0     0.8906     1.0000     0.1094     0.9773     0.9265     0.0508
  9   0     0.8899     1.0000     0.1101     0.9760     0.9253     0.0507
 10   0     0.8900     1.0000     0.1100     0.9759     0.9258     0.0501
 11   0     0.8827     1.0000     0.1173     0.9752     0.9256     0.0496
 12   0     0.8885     1.0000     0.1115     0.9719     0.9192     0.0527
 13   0     0.8815     1.0000     0.1185     0.9791     0.9290     0.0501
 14   0     0.8923     1.0000     0.1077     0.9756     0.9215     0.0541
 15   0     6.2097     6.0000    -0.2097     3.9958     3.6816     0.3142
 16   0     6.2136     6.0000    -0.2136     4.0006     3.6878     0.3128
 17   0     6.2372     6.0000    -0.2372     4.0071     3.6888     0.3183
 18   0     6.1667     6.0000    -0.1667     3.9832     3.6718     0.3114
 19   0     6.2474     6.0000    -0.2474     3.9965     3.6820     0.3145
 20   0     0.8855     1.0000     0.1145     0.9739     0.9210     0.0529
 21   0     0.8997     1.0000     0.1003     0.9892     0.9394     0.0498
 22   0     0.8913     1.0000     0.1087     0.9819     0.9328     0.0491
 23   0     0.8918     1.0000     0.1082     0.9786     0.9269     0.0517
 24   0     0.8964     1.0000     0.1036     0.9866     0.9348     0.0518
 25   0     0.8904     1.0000     0.1096     0.9793     0.9284     0.0509
 26   0     0.8970     1.0000     0.1030     0.9875     0.9372     0.0503
 27   0     0.8913     1.0000     0.1087     0.9784     0.9267     0.0517
 28   0     0.8889     1.0000     0.1111     0.9824     0.9332     0.0492
 29   0     0.8940     1.0000     0.1060     0.9751     0.9218     0.0533
 30   0     6.2450     6.0000    -0.2450     3.9811     3.6644     0.3167
 31   0     6.2449     6.0000    -0.2449     3.9672     3.6403     0.3269
 32   0     6.2094     6.0000    -0.2094     3.9735     3.6528     0.3207
 33   0     6.2541     6.0000    -0.2541     3.9915     3.6685     0.3230
 34   0     6.1626     6.0000    -0.1626     3.9715     3.6663     0.3052
 35   0     0.8926     1.0000     0.1074     0.9747     0.9227     0.0520
 36   0     0.8847     1.0000     0.1153     0.9750     0.9225     0.0525
 37   0     0.8916     1.0000     0.1084     0.9763     0.9231     0.0532
 38   0     0.8850     1.0000     0.1150     0.9800     0.9303     0.0497
 39   0     0.8906     1.0000     0.1094     0.9805     0.9311     0.0494
 40   0     0.8799     1.0000     0.1201     0.9776     0.9278     0.0498
 41   0     0.8857     1.0000     0.1143     0.9733     0.9198     0.0535
 42   0     0.8877     1.0000     0.1123     0.9740     0.9212     0.0528
 43   0     0.8924     1.0000     0.1076     0.9859     0.9381     0.0478
 44   0     0.8937     1.0000     0.1063     0.9753     0.9199     0.0554
 45   0     6.2434     6.0000    -0.2434     4.0068     3.6843     0.3225
 46   0     6.1635     6.0000    -0.1635     3.9788     3.6746     0.3042
 47   0     6.2277     6.0000    -0.2277     3.9775     3.6617     0.3158
 48   0     6.2335     6.0000    -0.2335     3.9804     3.6602     0.3202
 49   0     6.2185     6.0000    -0.2185     4.0012     3.6782     0.3230
 50   0     0.8950     1.0000     0.1050     0.9751     0.9204     0.0547
 51   0     0.8830     1.0000     0.1170     0.9780     0.9271     0.0509
 52   0     0.8997     1.0000     0.1003     0.9822     0.9327     0.0495
 53   0     0.8889     1.0000     0.1111     0.9786     0.9285     0.0501
 54   0     0.8973     1.0000     0.1027     0.9845     0.9302     0.0543
 55   0     0.8972     1.0000     0.1028     0.9776     0.9257     0.0519
 56   0     0.8958     1.0000     0.1042     0.9757     0.9211     0.0546
 57   0     0.8885     1.0000     0.1115     0.9743     0.9222     0.0521
 58   0     0.8798     1.0000     0.1202     0.9762     0.9246     0.0516
 59   0     0.8909     1.0000     0.1091     0.9817     0.9317     0.0500
 60   0     6.2433     6.0000    -0.2433     3.9879     3.6716     0.3163
 61   0     6.1905     6.0000    -0.1905     3.9742     3.6635     0.3107
 62   0     6.2505     6.0000    -0.2505     3.9898     3.6579     0.3319
 63   0     6.2358     6.0000    -0.2358     3.9846     3.6524     0.3322
 64   0     6.1919     6.0000    -0.1919     3.9597     3.6502     0.3095
 65   0     0.8913     1.0000     0.1087     0.9750     0.9241     0.0509
 66   0     0.8915     1.0000     0.1085     0.9764     0.9244     0.0520
 67   0     0.8912     1.0000     0.1088     0.9821     0.9335     0.0486
 68   0     0.8840     1.0000     0.1160     0.9808     0.9324     0.0484
 69   0     0.8830     1.0000     0.1170     0.9771     0.9252     0.0519
 70   0     0.8860     1.0000     0.1140     0.9759     0.9224     0.0535
 71   0     0.8835     1.0000     0.1165     0.9772     0.9256     0.0516
 72   0     0.8857     1.0000     0.1143     0.9812     0.9277     0.0535
 73   0     0.8856     1.0000     0.1144     0.9789     0.9298     0.0491
 74   0     0.9060     1.0000     0.0940     0.9808     0.9273     0.0535
 75   0     6.2204     6.0000    -0.2204     3.9803     3.6610     0.3193
 76   0     6.2452     6.0000    -0.2452     3.9944     3.6718     0.3226
 77   0     6.1802     6.0000    -0.1802     3.9885     3.6765     0.3120
 78   0     6.2307     6.0000    -0.2307     3.9643     3.6464     0.3179
 79   0     6.2316     6.0000    -0.2316     3.9633     3.6449     0.3184
 80   0     0.8922     1.0000     0.1078     0.9764     0.9255     0.0509
 81   0     0.8810     1.0000     0.1190     0.9759     0.9262     0.0497
 82   0     0.8850     1.0000     0.1150     0.9781     0.9271     0.0510
 83   0     0.8870     1.0000     0.1130     0.9742     0.9241     0.0501
 84   0     0.8890     1.0000     0.1110     0.9812     0.9321     0.0491
 85   0     0.8892     1.0000     0.1108     0.9812     0.9316     0.0496
 86   0     0.8879     1.0000     0.1121     0.9796     0.9288     0.0508
 87   0     0.8939     1.0000     0.1061     0.9768     0.9232     0.0536
 88   0     0.8881     1.0000     0.1119     0.9789     0.9277     0.0512
 89   0     0.8965     1.0000     0.1035     0.9821     0.9308     0.0513
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.917680
                0             6               4            6                0.925109
                0             6               5            1                0.943509
                0             6               6            1                0.939529
                1             6               2            6                0.908127
                1             6               7            1                0.936761
                1             6               8            1                0.943961
                2             6               3            6                0.894382
                2             6               9            1                0.942042
                2             6              10            1                0.949610
                3             6               4            6                0.923247
                3             6              11            1                0.943444
                3             6              12            1                0.937260
                4             6              13            1                0.937437
                4             6              14            1                0.933760
               15             6              16            6                0.930246
               15             6              19            6                0.915040
               15             6              20            1                0.928366
               15             6              21            1                0.945721
               16             6              17            6                0.923478
               16             6              22            1                0.941921
               16             6              23            1                0.929188
               17             6              18            6                0.919443
               17             6              24            1                0.942955
               17             6              25            1                0.931354
               18             6              19            6                0.928281
               18             6              26            1                0.941330
               18             6              27            1                0.928045
               19             6              28            1                0.942704
               19             6              29            1                0.930263
               30             6              31            6                0.900220
               30             6              34            6                0.922643
               30             6              35            1                0.940864
               30             6              36            1                0.933916
               31             6              32            6                0.900745
               31             6              37            1                0.937905
               31             6              38            1                0.943009
               32             6              33            6                0.906846
               32             6              39            1                0.948710
               32             6              40            1                0.932876
               33             6              34            6                0.921115
               33             6              41            1                0.935372
               33             6              42            1                0.935364
               34             6              43            1                0.946628
               34             6              44            1                0.925341
               45             6              46            6                0.924320
               45             6              49            6                0.921639
               45             6              50            1                0.927421
               45             6              51            1                0.935483
               46             6              47            6                0.920530
               46             6              52            1                0.943147
               46             6              53            1                0.932288
               47             6              48            6                0.909038
               47             6              54            1                0.932305
               47             6              55            1                0.938915
               48             6              49            6                0.922751
               48             6              56            1                0.928586
               48             6              57            1                0.938836
               49             6              58            1                0.929147
               49             6              59            1                0.940573
               60             6              61            6                0.909143
               60             6              64            6                0.911901
               60             6              65            1                0.946263
               60             6              66            1                0.936516
               61             6              62            6                0.914732
               61             6              67            1                0.941474
               61             6              68            1                0.940509
               62             6              63            6                0.909719
               62             6              69            1                0.932149
               62             6              70            1                0.931596
               63             6              64            6                0.914393
               63             6              71            1                0.928741
               63             6              72            1                0.933366
               64             6              73            1                0.936015
               64             6              74            1                0.939552
               75             6              76            6                0.910318
               75             6              79            6                0.907449
               75             6              80            1                0.941102
               75             6              81            1                0.937930
               76             6              77            6                0.917461
               76             6              82            1                0.934755
               76             6              83            1                0.945664
               77             6              78            6                0.911593
               77             6              84            1                0.937411
               77             6              85            1                0.941751
               78             6              79            6                0.901140
               78             6              86            1                0.939181
               78             6              87            1                0.941756
               79             6              88            1                0.937002
               79             6              89            1                0.945708
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2215252738
        Correlation Energy:       -5.0525361271
        Total MP2 Energy:      -1176.2740614009
# -----------------------------------------------------------
$ 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) :        0.0924817846
        Electronic Contribution:
                  0    
      0      -0.211657
      1       0.064100
      2       0.718147
        Nuclear Contribution:
                  0    
      0       0.224935
      1      -0.032134
      2      -0.706938
        Total Dipole moment:
                  0    
      0       0.013278
      1       0.031967
      2       0.011209
# -----------------------------------------------------------
$ 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) :        0.0913187775
        Electronic Contribution:
                  0    
      0      -0.211226
      1       0.063902
      2       0.716611
        Nuclear Contribution:
                  0    
      0       0.224935
      1      -0.032134
      2      -0.706938
        Total Dipole moment:
                  0    
      0       0.013709
      1       0.031769
      2       0.009673
# -----------------------------------------------------------
$ 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) :        0.0912752847
        Electronic Contribution:
                  0    
      0      -0.206757
      1       0.054185
      2       0.685194
        Nuclear Contribution:
                  0    
      0       0.224935
      1      -0.032134
      2      -0.706938
        Total Dipole moment:
                  0    
      0       0.018178
      1       0.022051
      2      -0.021745
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     16.830000000000   18.550000000000   25.000000000000
               1 C     17.220000000000   17.320000000000   24.160000000000
               2 C     18.370000000000   17.770000000000   23.220000000000
               3 C     18.750000000000   19.230000000000   23.510000000000
               4 C     17.840000000000   19.670000000000   24.690000000000
               5 H     16.740000000000   18.290000000000   26.040000000000
               6 H     15.790000000000   18.810000000000   24.790000000000
               7 H     16.370000000000   16.940000000000   23.600000000000
               8 H     17.540000000000   16.530000000000   24.840000000000
               9 H     18.160000000000   17.630000000000   22.180000000000
              10 H     19.160000000000   17.080000000000   23.340000000000
              11 H     18.730000000000   19.890000000000   22.670000000000
              12 H     19.850000000000   19.250000000000   23.650000000000
              13 H     17.390000000000   20.650000000000   24.500000000000
              14 H     18.550000000000   19.770000000000   25.570000000000
              15 C     19.570000000000   13.480000000000   22.020000000000
              16 C     18.210000000000   13.020000000000   22.530000000000
              17 C     17.150000000000   13.790000000000   21.770000000000
              18 C     17.900000000000   14.480000000000   20.600000000000
              19 C     19.310000000000   14.620000000000   21.060000000000
              20 H     20.180000000000   12.720000000000   21.430000000000
              21 H     20.140000000000   13.880000000000   22.810000000000
              22 H     18.100000000000   13.250000000000   23.570000000000
              23 H     18.170000000000   11.930000000000   22.330000000000
              24 H     16.740000000000   14.530000000000   22.440000000000
              25 H     16.330000000000   13.130000000000   21.450000000000
              26 H     17.390000000000   15.410000000000   20.500000000000
              27 H     17.800000000000   13.840000000000   19.690000000000
              28 H     19.530000000000   15.600000000000   21.380000000000
              29 H     20.050000000000   14.560000000000   20.220000000000
              30 C     16.770000000000   17.170000000000   17.220000000000
              31 C     15.390000000000   16.770000000000   17.850000000000
              32 C     14.270000000000   17.840000000000   17.340000000000
              33 C     15.120000000000   18.860000000000   16.500000000000
              34 C     16.580000000000   18.420000000000   16.460000000000
              35 H     17.070000000000   16.310000000000   16.600000000000
              36 H     17.550000000000   17.170000000000   18.020000000000
              37 H     15.330000000000   16.840000000000   18.960000000000
              38 H     15.200000000000   15.750000000000   17.590000000000
              39 H     13.890000000000   18.380000000000   18.170000000000
              40 H     13.420000000000   17.380000000000   16.840000000000
              41 H     14.970000000000   19.920000000000   16.880000000000
              42 H     14.730000000000   18.950000000000   15.460000000000
              43 H     17.210000000000   19.110000000000   16.910000000000
              44 H     16.880000000000   18.190000000000   15.350000000000
              45 C     18.280000000000    9.700000000000   27.960000000000
              46 C     17.920000000000    9.700000000000   26.520000000000
              47 C     17.700000000000   11.150000000000   26.100000000000
              48 C     17.280000000000   11.950000000000   27.280000000000
              49 C     17.590000000000   11.040000000000   28.520000000000
              50 H     19.430000000000    9.730000000000   28.080000000000
              51 H     17.920000000000    8.780000000000   28.460000000000
              52 H     17.040000000000    9.120000000000   26.450000000000
              53 H     18.650000000000    9.250000000000   25.850000000000
              54 H     16.940000000000   11.360000000000   25.310000000000
              55 H     18.630000000000   11.620000000000   25.750000000000
              56 H     16.170000000000   12.220000000000   27.160000000000
              57 H     17.880000000000   12.890000000000   27.300000000000
              58 H     16.690000000000   10.800000000000   29.140000000000
              59 H     18.310000000000   11.560000000000   29.120000000000
              60 C     24.320000000000   16.300000000000   23.580000000000
              61 C     25.030000000000   16.000000000000   22.210000000000
              62 C     24.350000000000   14.710000000000   21.670000000000
              63 C     23.640000000000   14.030000000000   23.000000000000
              64 C     23.400000000000   15.200000000000   23.970000000000
              65 H     23.720000000000   17.200000000000   23.530000000000
              66 H     24.990000000000   16.490000000000   24.440000000000
              67 H     26.050000000000   15.780000000000   22.360000000000
              68 H     24.920000000000   16.860000000000   21.590000000000
              69 H     25.010000000000   13.910000000000   21.270000000000
              70 H     23.620000000000   15.020000000000   20.860000000000
              71 H     24.270000000000   13.210000000000   23.420000000000
              72 H     22.660000000000   13.600000000000   22.640000000000
              73 H     23.520000000000   14.920000000000   25.000000000000
              74 H     22.350000000000   15.540000000000   23.800000000000
              75 C     12.950000000000   10.720000000000   23.640000000000
              76 C     11.930000000000   11.850000000000   24.050000000000
              77 C     12.690000000000   13.100000000000   24.700000000000
              78 C     14.100000000000   12.890000000000   24.210000000000
              79 C     14.310000000000   11.470000000000   23.640000000000
              80 H     12.640000000000   10.400000000000   22.650000000000
              81 H     13.020000000000    9.800000000000   24.210000000000
              82 H     11.110000000000   11.410000000000   24.620000000000
              83 H     11.440000000000   12.200000000000   23.170000000000
              84 H     12.590000000000   13.060000000000   25.770000000000
              85 H     12.420000000000   14.050000000000   24.260000000000
              86 H     14.860000000000   13.080000000000   24.950000000000
              87 H     14.290000000000   13.600000000000   23.350000000000
              88 H     15.010000000000   10.800000000000   24.140000000000
              89 H     14.710000000000   11.610000000000   22.650000000000
