-------------------------------------------------------------
----------------------- !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:    -1171.1976048102
# -----------------------------------------------------------
$ 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     6.1456     6.0000    -0.1456     3.9283     3.9283    -0.0000
  1   0     6.1283     6.0000    -0.1283     3.8871     3.8871     0.0000
  2   0     6.1795     6.0000    -0.1795     3.8922     3.8922    -0.0000
  3   0     6.1817     6.0000    -0.1817     3.8826     3.8826    -0.0000
  4   0     6.1235     6.0000    -0.1235     3.9039     3.9039    -0.0000
  5   0     0.9183     1.0000     0.0817     0.9751     0.9751    -0.0000
  6   0     0.9398     1.0000     0.0602     0.9882     0.9882    -0.0000
  7   0     0.9416     1.0000     0.0584     0.9915     0.9915     0.0000
  8   0     0.9123     1.0000     0.0877     0.9762     0.9762    -0.0000
  9   0     0.9150     1.0000     0.0850     0.9739     0.9739    -0.0000
 10   0     0.9305     1.0000     0.0695     0.9870     0.9870    -0.0000
 11   0     0.9205     1.0000     0.0795     0.9823     0.9823    -0.0000
 12   0     0.9290     1.0000     0.0710     0.9760     0.9760     0.0000
 13   0     0.9070     1.0000     0.0930     0.9778     0.9778     0.0000
 14   0     0.9329     1.0000     0.0671     0.9894     0.9894     0.0000
 15   0     6.1702     6.0000    -0.1702     3.8721     3.8721    -0.0000
 16   0     6.2110     6.0000    -0.2110     3.8873     3.8873     0.0000
 17   0     6.1357     6.0000    -0.1357     3.8933     3.8933     0.0000
 18   0     6.1480     6.0000    -0.1480     3.9131     3.9131    -0.0000
 19   0     6.1796     6.0000    -0.1796     3.9115     3.9115    -0.0000
 20   0     0.9222     1.0000     0.0778     0.9708     0.9708    -0.0000
 21   0     0.9150     1.0000     0.0850     0.9750     0.9750    -0.0000
 22   0     0.9171     1.0000     0.0829     0.9692     0.9692     0.0000
 23   0     0.9130     1.0000     0.0870     0.9767     0.9767     0.0000
 24   0     0.9209     1.0000     0.0791     0.9700     0.9700     0.0000
 25   0     0.9097     1.0000     0.0903     0.9751     0.9751     0.0000
 26   0     0.9113     1.0000     0.0887     0.9734     0.9734    -0.0000
 27   0     0.9215     1.0000     0.0785     0.9759     0.9759    -0.0000
 28   0     0.8974     1.0000     0.1026     0.9734     0.9734    -0.0000
 29   0     0.9246     1.0000     0.0754     0.9807     0.9807     0.0000
 30   0     6.1723     6.0000    -0.1723     3.9172     3.9172     0.0000
 31   0     6.1688     6.0000    -0.1688     3.8917     3.8917    -0.0000
 32   0     6.1566     6.0000    -0.1566     3.8822     3.8822    -0.0000
 33   0     6.1619     6.0000    -0.1619     3.8783     3.8783    -0.0000
 34   0     6.1009     6.0000    -0.1009     3.8701     3.8701     0.0000
 35   0     0.9160     1.0000     0.0840     0.9740     0.9740     0.0000
 36   0     0.9153     1.0000     0.0847     0.9810     0.9810     0.0000
 37   0     0.9087     1.0000     0.0913     0.9731     0.9731    -0.0000
 38   0     0.9260     1.0000     0.0740     0.9775     0.9775    -0.0000
 39   0     0.9514     1.0000     0.0486     0.9900     0.9900    -0.0000
 40   0     0.9089     1.0000     0.0911     0.9694     0.9694    -0.0000
 41   0     0.9180     1.0000     0.0820     0.9761     0.9761     0.0000
 42   0     0.9255     1.0000     0.0745     0.9744     0.9744     0.0000
 43   0     0.9518     1.0000     0.0482     0.9946     0.9946     0.0000
 44   0     0.9188     1.0000     0.0812     0.9792     0.9792     0.0000
 45   0     6.1556     6.0000    -0.1556     3.8652     3.8652     0.0000
 46   0     6.2536     6.0000    -0.2536     3.8841     3.8841    -0.0000
 47   0     6.1163     6.0000    -0.1163     3.8566     3.8566    -0.0000
 48   0     6.1720     6.0000    -0.1720     3.9153     3.9153    -0.0000
 49   0     6.1495     6.0000    -0.1495     3.8902     3.8902     0.0000
 50   0     0.9127     1.0000     0.0873     0.9776     0.9776     0.0000
 51   0     0.9294     1.0000     0.0706     0.9804     0.9804     0.0000
 52   0     0.8980     1.0000     0.1020     0.9658     0.9658    -0.0000
 53   0     0.9230     1.0000     0.0770     0.9719     0.9719    -0.0000
 54   0     0.9185     1.0000     0.0815     0.9766     0.9766    -0.0000
 55   0     0.9091     1.0000     0.0909     0.9781     0.9781    -0.0000
 56   0     0.9224     1.0000     0.0776     0.9794     0.9794    -0.0000
 57   0     0.9098     1.0000     0.0902     0.9736     0.9736    -0.0000
 58   0     0.9061     1.0000     0.0939     0.9721     0.9721    -0.0000
 59   0     0.9221     1.0000     0.0779     0.9777     0.9777    -0.0000
 60   0     6.2036     6.0000    -0.2036     3.8805     3.8805     0.0000
 61   0     6.2081     6.0000    -0.2081     3.8749     3.8749     0.0000
 62   0     6.1012     6.0000    -0.1012     3.8889     3.8889    -0.0000
 63   0     6.1922     6.0000    -0.1922     3.8752     3.8752     0.0000
 64   0     6.1347     6.0000    -0.1347     3.8712     3.8712     0.0000
 65   0     0.9169     1.0000     0.0831     0.9773     0.9773    -0.0000
 66   0     0.9060     1.0000     0.0940     0.9761     0.9761     0.0000
 67   0     0.9125     1.0000     0.0875     0.9749     0.9749     0.0000
 68   0     0.9187     1.0000     0.0813     0.9730     0.9730     0.0000
 69   0     0.9086     1.0000     0.0914     0.9736     0.9736    -0.0000
 70   0     0.9352     1.0000     0.0648     0.9861     0.9861    -0.0000
 71   0     0.9093     1.0000     0.0907     0.9741     0.9741     0.0000
 72   0     0.9168     1.0000     0.0832     0.9677     0.9677    -0.0000
 73   0     0.9186     1.0000     0.0814     0.9805     0.9805    -0.0000
 74   0     0.9095     1.0000     0.0905     0.9769     0.9769    -0.0000
 75   0     6.1580     6.0000    -0.1580     3.9023     3.9023    -0.0000
 76   0     6.1854     6.0000    -0.1854     3.9032     3.9032     0.0000
 77   0     6.1607     6.0000    -0.1607     3.8774     3.8774    -0.0000
 78   0     6.1972     6.0000    -0.1972     3.9105     3.9105    -0.0000
 79   0     6.0803     6.0000    -0.0803     3.8610     3.8610     0.0000
 80   0     0.9243     1.0000     0.0757     0.9760     0.9760     0.0000
 81   0     0.9059     1.0000     0.0941     0.9712     0.9712    -0.0000
 82   0     0.9070     1.0000     0.0930     0.9778     0.9778     0.0000
 83   0     0.9242     1.0000     0.0758     0.9810     0.9810    -0.0000
 84   0     0.9193     1.0000     0.0807     0.9790     0.9790    -0.0000
 85   0     0.9204     1.0000     0.0796     0.9766     0.9766    -0.0000
 86   0     0.9056     1.0000     0.0944     0.9733     0.9733    -0.0000
 87   0     0.9265     1.0000     0.0735     0.9775     0.9775     0.0000
 88   0     0.9001     1.0000     0.0999     0.9761     0.9761     0.0000
 89   0     0.9919     1.0000     0.0081     1.0326     1.0326     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                0.971518
                0             6               4            6                0.985511
                0             6               5            1                0.991140
                0             6               6            1                1.012049
                1             6               2            6                0.973396
                1             6               7            1                0.996655
                1             6               8            1                0.983295
                2             6               3            6                0.958510
                2             6               9            1                0.995929
                2             6              10            1                0.996932
                3             6               4            6                0.971206
                3             6              11            1                0.998487
                3             6              12            1                0.992508
                4             6              13            1                0.986939
                4             6              14            1                0.990019
               15             6              16            6                0.965931
               15             6              19            6                0.969613
               15             6              20            1                0.989390
               15             6              21            1                0.991829
               16             6              17            6                0.967244
               16             6              22            1                0.995537
               16             6              23            1                0.985263
               17             6              18            6                0.978678
               17             6              24            1                0.993557
               17             6              25            1                0.985044
               18             6              19            6                0.972736
               18             6              26            1                0.988542
               18             6              27            1                0.994340
               19             6              28            1                0.986721
               19             6              29            1                1.001020
               30             6              31            6                0.970959
               30             6              34            6                0.973965
               30             6              35            1                0.990706
               30             6              36            1                0.992978
               31             6              32            6                0.966579
               31             6              37            1                0.991398
               31             6              38            1                0.996293
               32             6              33            6                0.959016
               32             6              39            1                1.001180
               32             6              40            1                0.989418
               33             6              34            6                0.955129
               33             6              41            1                0.997950
               33             6              42            1                0.989261
               34             6              43            1                1.005544
               34             6              44            1                0.988186
               45             6              46            6                0.961785
               45             6              49            6                0.959836
               45             6              50            1                0.992597
               45             6              51            1                0.993531
               46             6              47            6                0.955594
               46             6              52            1                0.993239
               46             6              53            1                0.991366
               47             6              48            6                0.979219
               47             6              54            1                0.993729
               47             6              55            1                0.985002
               48             6              49            6                0.976626
               48             6              56            1                0.994650
               48             6              57            1                0.989027
               49             6              58            1                0.990915
               49             6              59            1                0.997775
               60             6              61            6                0.957093
               60             6              64            6                0.959671
               60             6              65            1                0.995176
               60             6              66            1                0.995952
               61             6              62            6                0.971049
               61             6              67            1                0.993559
               61             6              68            1                0.992473
               62             6              63            6                0.966233
               62             6              69            1                0.985166
               62             6              70            1                1.001425
               63             6              64            6                0.965076
               63             6              71            1                0.994135
               63             6              72            1                0.991519
               64             6              73            1                0.999495
               64             6              74            1                0.987726
               75             6              76            6                0.975866
               75             6              79            6                0.952913
               75             6              80            1                1.005145
               75             6              81            1                0.984943
               76             6              77            6                0.967774
               76             6              82            1                0.987856
               76             6              83            1                0.996363
               77             6              78            6                0.964286
               77             6              84            1                0.995026
               77             6              85            1                0.989994
               78             6              79            6                0.971729
               78             6              86            1                0.989304
               78             6              87            1                1.000063
               79             6              88            1                0.976528
               79             6              89            1                1.008379
# -----------------------------------------------------------
$ 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     6.1544     6.0000    -0.1544     4.0376     3.7098     0.3278
  1   0     6.1365     6.0000    -0.1365     3.9969     3.6699     0.3270
  2   0     6.1868     6.0000    -0.1868     4.0031     3.6800     0.3231
  3   0     6.1888     6.0000    -0.1888     3.9934     3.6687     0.3247
  4   0     6.1309     6.0000    -0.1309     4.0109     3.6902     0.3207
  5   0     0.9143     1.0000     0.0857     0.9845     0.9311     0.0534
  6   0     0.9361     1.0000     0.0639     0.9987     0.9445     0.0542
  7   0     0.9376     1.0000     0.0624     1.0019     0.9459     0.0560
  8   0     0.9082     1.0000     0.0918     0.9852     0.9332     0.0520
  9   0     0.9109     1.0000     0.0891     0.9832     0.9332     0.0500
 10   0     0.9267     1.0000     0.0733     0.9972     0.9441     0.0531
 11   0     0.9165     1.0000     0.0835     0.9915     0.9409     0.0506
 12   0     0.9257     1.0000     0.0743     0.9872     0.9331     0.0541
 13   0     0.9029     1.0000     0.0971     0.9865     0.9379     0.0486
 14   0     0.9288     1.0000     0.0712     0.9992     0.9480     0.0512
 15   0     6.1777     6.0000    -0.1777     3.9830     3.6579     0.3251
 16   0     6.2191     6.0000    -0.2191     4.0034     3.6681     0.3353
 17   0     6.1438     6.0000    -0.1438     4.0016     3.6807     0.3209
 18   0     6.1553     6.0000    -0.1553     4.0190     3.7003     0.3187
 19   0     6.1871     6.0000    -0.1871     4.0228     3.6992     0.3236
 20   0     0.9186     1.0000     0.0814     0.9810     0.9260     0.0550
 21   0     0.9110     1.0000     0.0890     0.9842     0.9329     0.0513
 22   0     0.9131     1.0000     0.0869     0.9788     0.9245     0.0543
 23   0     0.9092     1.0000     0.0908     0.9861     0.9334     0.0527
 24   0     0.9167     1.0000     0.0833     0.9794     0.9250     0.0544
 25   0     0.9060     1.0000     0.0940     0.9843     0.9343     0.0500
 26   0     0.9075     1.0000     0.0925     0.9827     0.9295     0.0532
 27   0     0.9178     1.0000     0.0822     0.9857     0.9349     0.0508
 28   0     0.8937     1.0000     0.1063     0.9821     0.9303     0.0518
 29   0     0.9208     1.0000     0.0792     0.9904     0.9382     0.0522
 30   0     6.1799     6.0000    -0.1799     4.0246     3.7090     0.3156
 31   0     6.1763     6.0000    -0.1763     4.0003     3.6836     0.3167
 32   0     6.1644     6.0000    -0.1644     3.9912     3.6687     0.3225
 33   0     6.1699     6.0000    -0.1699     3.9870     3.6717     0.3153
 34   0     6.1088     6.0000    -0.1088     3.9763     3.6594     0.3169
 35   0     0.9122     1.0000     0.0878     0.9834     0.9317     0.0517
 36   0     0.9114     1.0000     0.0886     0.9900     0.9414     0.0486
 37   0     0.9048     1.0000     0.0952     0.9822     0.9340     0.0482
 38   0     0.9221     1.0000     0.0779     0.9874     0.9355     0.0519
 39   0     0.9476     1.0000     0.0524     1.0009     0.9459     0.0550
 40   0     0.9050     1.0000     0.0950     0.9785     0.9252     0.0533
 41   0     0.9141     1.0000     0.0859     0.9852     0.9364     0.0488
 42   0     0.9215     1.0000     0.0785     0.9842     0.9309     0.0533
 43   0     0.9481     1.0000     0.0519     1.0054     0.9490     0.0564
 44   0     0.9146     1.0000     0.0854     0.9885     0.9368     0.0517
 45   0     6.1627     6.0000    -0.1627     3.9753     3.6516     0.3237
 46   0     6.2618     6.0000    -0.2618     4.0036     3.6664     0.3372
 47   0     6.1251     6.0000    -0.1251     3.9666     3.6399     0.3267
 48   0     6.1790     6.0000    -0.1790     4.0221     3.7065     0.3156
 49   0     6.1576     6.0000    -0.1576     3.9991     3.6800     0.3191
 50   0     0.9087     1.0000     0.0913     0.9868     0.9357     0.0511
 51   0     0.9256     1.0000     0.0744     0.9905     0.9374     0.0531
 52   0     0.8942     1.0000     0.1058     0.9748     0.9254     0.0494
 53   0     0.9188     1.0000     0.0812     0.9816     0.9258     0.0558
 54   0     0.9146     1.0000     0.0854     0.9862     0.9337     0.0525
 55   0     0.9052     1.0000     0.0948     0.9872     0.9358     0.0514
 56   0     0.9185     1.0000     0.0815     0.9890     0.9360     0.0530
 57   0     0.9060     1.0000     0.0940     0.9829     0.9322     0.0507
 58   0     0.9023     1.0000     0.0977     0.9812     0.9315     0.0497
 59   0     0.9181     1.0000     0.0819     0.9870     0.9341     0.0529
 60   0     6.2105     6.0000    -0.2105     3.9935     3.6673     0.3262
 61   0     6.2151     6.0000    -0.2151     3.9879     3.6599     0.3280
 62   0     6.1093     6.0000    -0.1093     3.9951     3.6812     0.3139
 63   0     6.2006     6.0000    -0.2006     3.9888     3.6603     0.3285
 64   0     6.1427     6.0000    -0.1427     3.9808     3.6595     0.3213
 65   0     0.9133     1.0000     0.0867     0.9870     0.9327     0.0543
 66   0     0.9022     1.0000     0.0978     0.9853     0.9361     0.0492
 67   0     0.9085     1.0000     0.0915     0.9844     0.9319     0.0525
 68   0     0.9150     1.0000     0.0850     0.9829     0.9316     0.0513
 69   0     0.9046     1.0000     0.0954     0.9827     0.9348     0.0479
 70   0     0.9312     1.0000     0.0688     0.9959     0.9462     0.0497
 71   0     0.9051     1.0000     0.0949     0.9830     0.9329     0.0501
 72   0     0.9128     1.0000     0.0872     0.9772     0.9222     0.0550
 73   0     0.9148     1.0000     0.0852     0.9901     0.9403     0.0498
 74   0     0.9058     1.0000     0.0942     0.9860     0.9341     0.0519
 75   0     6.1659     6.0000    -0.1659     4.0109     3.6921     0.3188
 76   0     6.1929     6.0000    -0.1929     4.0147     3.6901     0.3246
 77   0     6.1683     6.0000    -0.1683     3.9873     3.6622     0.3251
 78   0     6.2051     6.0000    -0.2051     4.0227     3.6960     0.3267
 79   0     6.0873     6.0000    -0.0873     3.9646     3.6409     0.3237
 80   0     0.9202     1.0000     0.0798     0.9853     0.9343     0.0510
 81   0     0.9021     1.0000     0.0979     0.9804     0.9288     0.0516
 82   0     0.9030     1.0000     0.0970     0.9868     0.9363     0.0505
 83   0     0.9203     1.0000     0.0797     0.9905     0.9362     0.0543
 84   0     0.9155     1.0000     0.0845     0.9887     0.9382     0.0505
 85   0     0.9167     1.0000     0.0833     0.9861     0.9334     0.0527
 86   0     0.9018     1.0000     0.0982     0.9824     0.9308     0.0516
 87   0     0.9226     1.0000     0.0774     0.9873     0.9357     0.0516
 88   0     0.8963     1.0000     0.1037     0.9850     0.9324     0.0526
 89   0     0.9888     1.0000     0.0112     1.0450     0.9881     0.0569
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.907216
                0             6               4            6                0.919583
                0             6               5            1                0.948317
                0             6               6            1                0.969157
                1             6               2            6                0.909672
                1             6               7            1                0.952362
                1             6               8            1                0.941515
                2             6               3            6                0.894702
                2             6               9            1                0.956039
                2             6              10            1                0.954992
                3             6               4            6                0.906001
                3             6              11            1                0.958109
                3             6              12            1                0.950628
                4             6              13            1                0.948202
                4             6              14            1                0.949723
               15             6              16            6                0.899616
               15             6              19            6                0.909062
               15             6              20            1                0.945864
               15             6              21            1                0.950939
               16             6              17            6                0.903293
               16             6              22            1                0.951700
               16             6              23            1                0.943511
               17             6              18            6                0.916621
               17             6              24            1                0.949646
               17             6              25            1                0.945706
               18             6              19            6                0.908119
               18             6              26            1                0.946009
               18             6              27            1                0.954518
               19             6              28            1                0.945192
               19             6              29            1                0.959293
               30             6              31            6                0.907499
               30             6              34            6                0.912462
               30             6              35            1                0.949890
               30             6              36            1                0.954753
               31             6              32            6                0.903837
               31             6              37            1                0.953600
               31             6              38            1                0.955260
               32             6              33            6                0.897545
               32             6              39            1                0.958151
               32             6              40            1                0.946337
               33             6              34            6                0.894432
               33             6              41            1                0.959628
               33             6              42            1                0.947116
               34             6              43            1                0.961103
               34             6              44            1                0.947225
               45             6              46            6                0.898900
               45             6              49            6                0.894742
               45             6              50            1                0.951931
               45             6              51            1                0.951743
               46             6              47            6                0.888283
               46             6              52            1                0.953652
               46             6              53            1                0.946605
               47             6              48            6                0.915753
               47             6              54            1                0.951811
               47             6              55            1                0.944165
               48             6              49            6                0.916932
               48             6              56            1                0.952665
               48             6              57            1                0.949018
               49             6              58            1                0.951720
               49             6              59            1                0.955361
               60             6              61            6                0.892620
               60             6              64            6                0.896435
               60             6              65            1                0.951869
               60             6              66            1                0.957086
               61             6              62            6                0.905936
               61             6              67            1                0.951605
               61             6              68            1                0.952035
               62             6              63            6                0.903373
               62             6              69            1                0.947822
               62             6              70            1                0.962505
               63             6              64            6                0.900389
               63             6              71            1                0.954238
               63             6              72            1                0.947060
               64             6              73            1                0.960385
               64             6              74            1                0.946313
               75             6              76            6                0.916504
               75             6              79            6                0.887288
               75             6              80            1                0.964459
               75             6              81            1                0.944290
               76             6              77            6                0.901679
               76             6              82            1                0.947714
               76             6              83            1                0.952549
               77             6              78            6                0.899955
               77             6              84            1                0.955274
               77             6              85            1                0.948218
               78             6              79            6                0.906336
               78             6              86            1                0.948284
               78             6              87            1                0.959164
               79             6              88            1                0.934298
               79             6              89            1                0.965186
# -----------------------------------------------------------
$ 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     6.2101     6.0000    -0.2101     4.0065     3.6829     0.3236
  1   0     6.1907     6.0000    -0.1907     3.9784     3.6560     0.3224
  2   0     6.2411     6.0000    -0.2411     3.9849     3.6664     0.3185
  3   0     6.2372     6.0000    -0.2372     3.9657     3.6454     0.3203
  4   0     6.1885     6.0000    -0.1885     3.9909     3.6743     0.3166
  5   0     0.8898     1.0000     0.1102     0.9772     0.9249     0.0523
  6   0     0.9047     1.0000     0.0953     0.9948     0.9420     0.0528
  7   0     0.9088     1.0000     0.0912     0.9926     0.9379     0.0547
  8   0     0.8865     1.0000     0.1135     0.9814     0.9305     0.0509
  9   0     0.8850     1.0000     0.1150     0.9767     0.9279     0.0488
 10   0     0.8969     1.0000     0.1031     0.9883     0.9366     0.0517
 11   0     0.8878     1.0000     0.1122     0.9822     0.9329     0.0493
 12   0     0.9003     1.0000     0.0997     0.9859     0.9332     0.0527
 13   0     0.8785     1.0000     0.1215     0.9795     0.9320     0.0475
 14   0     0.9018     1.0000     0.0982     0.9914     0.9414     0.0500
 15   0     6.2278     6.0000    -0.2278     3.9748     3.6540     0.3208
 16   0     6.2609     6.0000    -0.2609     3.9793     3.6485     0.3308
 17   0     6.2003     6.0000    -0.2003     3.9918     3.6751     0.3167
 18   0     6.2019     6.0000    -0.2019     4.0009     3.6863     0.3146
 19   0     6.2401     6.0000    -0.2401     4.0085     3.6889     0.3196
 20   0     0.8930     1.0000     0.1070     0.9760     0.9222     0.0538
 21   0     0.8856     1.0000     0.1144     0.9745     0.9243     0.0502
 22   0     0.8880     1.0000     0.1120     0.9693     0.9161     0.0532
 23   0     0.8848     1.0000     0.1152     0.9819     0.9304     0.0515
 24   0     0.8933     1.0000     0.1067     0.9711     0.9177     0.0534
 25   0     0.8828     1.0000     0.1172     0.9811     0.9322     0.0489
 26   0     0.8858     1.0000     0.1142     0.9752     0.9229     0.0523
 27   0     0.8931     1.0000     0.1069     0.9803     0.9307     0.0496
 28   0     0.8720     1.0000     0.1280     0.9740     0.9231     0.0509
 29   0     0.8887     1.0000     0.1113     0.9783     0.9274     0.0509
 30   0     6.2241     6.0000    -0.2241     4.0028     3.6912     0.3116
 31   0     6.2312     6.0000    -0.2312     3.9839     3.6710     0.3129
 32   0     6.2160     6.0000    -0.2160     3.9638     3.6453     0.3185
 33   0     6.2231     6.0000    -0.2231     3.9702     3.6591     0.3111
 34   0     6.1679     6.0000    -0.1679     3.9644     3.6516     0.3128
 35   0     0.8894     1.0000     0.1106     0.9760     0.9253     0.0507
 36   0     0.8863     1.0000     0.1137     0.9818     0.9343     0.0475
 37   0     0.8803     1.0000     0.1197     0.9770     0.9299     0.0471
 38   0     0.8943     1.0000     0.1057     0.9768     0.9260     0.0508
 39   0     0.9168     1.0000     0.0832     0.9977     0.9442     0.0535
 40   0     0.8808     1.0000     0.1192     0.9709     0.9187     0.0522
 41   0     0.8885     1.0000     0.1115     0.9803     0.9327     0.0476
 42   0     0.8966     1.0000     0.1034     0.9755     0.9232     0.0523
 43   0     0.9137     1.0000     0.0863     0.9990     0.9442     0.0548
 44   0     0.8914     1.0000     0.1086     0.9808     0.9301     0.0507
 45   0     6.2129     6.0000    -0.2129     3.9663     3.6469     0.3194
 46   0     6.2999     6.0000    -0.2999     3.9854     3.6532     0.3322
 47   0     6.1822     6.0000    -0.1822     3.9564     3.6337     0.3227
 48   0     6.2189     6.0000    -0.2189     4.0000     3.6888     0.3112
 49   0     6.2098     6.0000    -0.2098     3.9852     3.6701     0.3151
 50   0     0.8856     1.0000     0.1144     0.9787     0.9287     0.0500
 51   0     0.8992     1.0000     0.1008     0.9868     0.9350     0.0518
 52   0     0.8659     1.0000     0.1341     0.9676     0.9196     0.0480
 53   0     0.8947     1.0000     0.1053     0.9734     0.9187     0.0547
 54   0     0.8892     1.0000     0.1108     0.9812     0.9298     0.0514
 55   0     0.8864     1.0000     0.1136     0.9808     0.9303     0.0505
 56   0     0.8931     1.0000     0.1069     0.9805     0.9286     0.0519
 57   0     0.8851     1.0000     0.1149     0.9767     0.9269     0.0498
 58   0     0.8811     1.0000     0.1189     0.9761     0.9274     0.0487
 59   0     0.8922     1.0000     0.1078     0.9777     0.9258     0.0519
 60   0     6.2549     6.0000    -0.2549     3.9841     3.6622     0.3219
 61   0     6.2578     6.0000    -0.2578     3.9675     3.6439     0.3236
 62   0     6.1781     6.0000    -0.1781     3.9813     3.6711     0.3102
 63   0     6.2422     6.0000    -0.2422     3.9667     3.6425     0.3242
 64   0     6.1961     6.0000    -0.1961     3.9666     3.6492     0.3174
 65   0     0.8875     1.0000     0.1125     0.9795     0.9264     0.0531
 66   0     0.8784     1.0000     0.1216     0.9771     0.9290     0.0481
 67   0     0.8836     1.0000     0.1164     0.9771     0.9258     0.0513
 68   0     0.8870     1.0000     0.1130     0.9756     0.9256     0.0500
 69   0     0.8827     1.0000     0.1173     0.9782     0.9313     0.0469
 70   0     0.9003     1.0000     0.0997     0.9871     0.9386     0.0485
 71   0     0.8846     1.0000     0.1154     0.9772     0.9281     0.0491
 72   0     0.8868     1.0000     0.1132     0.9714     0.9176     0.0538
 73   0     0.8894     1.0000     0.1106     0.9811     0.9323     0.0488
 74   0     0.8822     1.0000     0.1178     0.9777     0.9268     0.0509
 75   0     6.2188     6.0000    -0.2188     3.9976     3.6830     0.3146
 76   0     6.2421     6.0000    -0.2421     3.9961     3.6759     0.3202
 77   0     6.2194     6.0000    -0.2194     3.9684     3.6473     0.3211
 78   0     6.2496     6.0000    -0.2496     3.9966     3.6741     0.3225
 79   0     6.1508     6.0000    -0.1508     3.9548     3.6351     0.3197
 80   0     0.8915     1.0000     0.1085     0.9783     0.9285     0.0498
 81   0     0.8814     1.0000     0.1186     0.9740     0.9233     0.0507
 82   0     0.8768     1.0000     0.1232     0.9777     0.9285     0.0492
 83   0     0.8908     1.0000     0.1092     0.9838     0.9308     0.0530
 84   0     0.8896     1.0000     0.1104     0.9790     0.9296     0.0494
 85   0     0.8922     1.0000     0.1078     0.9798     0.9282     0.0516
 86   0     0.8791     1.0000     0.1209     0.9751     0.9245     0.0506
 87   0     0.8941     1.0000     0.1059     0.9794     0.9290     0.0504
 88   0     0.8768     1.0000     0.1232     0.9779     0.9262     0.0517
 89   0     0.9526     1.0000     0.0474     1.0353     0.9798     0.0555
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.914817
                0             6               4            6                0.920076
                0             6               5            1                0.932069
                0             6               6            1                0.952691
                1             6               2            6                0.914631
                1             6               7            1                0.936452
                1             6               8            1                0.931706
                2             6               3            6                0.898342
                2             6               9            1                0.944512
                2             6              10            1                0.941615
                3             6               4            6                0.907602
                3             6              11            1                0.946887
                3             6              12            1                0.937174
                4             6              13            1                0.940035
                4             6              14            1                0.937627
               15             6              16            6                0.903480
               15             6              19            6                0.924466
               15             6              20            1                0.934224
               15             6              21            1                0.937131
               16             6              17            6                0.909908
               16             6              22            1                0.938153
               16             6              23            1                0.931168
               17             6              18            6                0.927851
               17             6              24            1                0.934053
               17             6              25            1                0.937424
               18             6              19            6                0.912750
               18             6              26            1                0.931428
               18             6              27            1                0.945794
               19             6              28            1                0.929766
               19             6              29            1                0.947423
               30             6              31            6                0.910866
               30             6              34            6                0.923106
               30             6              35            1                0.935760
               30             6              36            1                0.944108
               31             6              32            6                0.912508
               31             6              37            1                0.944517
               31             6              38            1                0.941517
               32             6              33            6                0.901406
               32             6              39            1                0.943050
               32             6              40            1                0.933175
               33             6              34            6                0.906560
               33             6              41            1                0.950612
               33             6              42            1                0.931136
               34             6              43            1                0.946286
               34             6              44            1                0.932563
               45             6              46            6                0.909603
               45             6              49            6                0.902340
               45             6              50            1                0.938310
               45             6              51            1                0.941260
               46             6              47            6                0.895276
               46             6              52            1                0.941247
               46             6              53            1                0.931929
               47             6              48            6                0.923715
               47             6              54            1                0.940091
               47             6              55            1                0.930383
               48             6              49            6                0.928413
               48             6              56            1                0.936787
               48             6              57            1                0.936517
               49             6              58            1                0.938188
               49             6              59            1                0.941095
               60             6              61            6                0.901987
               60             6              64            6                0.907185
               60             6              65            1                0.938617
               60             6              66            1                0.944538
               61             6              62            6                0.906703
               61             6              67            1                0.938080
               61             6              68            1                0.942497
               62             6              63            6                0.910339
               62             6              69            1                0.937945
               62             6              70            1                0.953931
               63             6              64            6                0.905649
               63             6              71            1                0.942264
               63             6              72            1                0.932487
               64             6              73            1                0.948266
               64             6              74            1                0.932855
               75             6              76            6                0.929157
               75             6              79            6                0.895641
               75             6              80            1                0.954381
               75             6              81            1                0.927911
               76             6              77            6                0.905458
               76             6              82            1                0.933819
               76             6              83            1                0.939550
               77             6              78            6                0.905496
               77             6              84            1                0.943209
               77             6              85            1                0.935891
               78             6              79            6                0.913219
               78             6              86            1                0.934125
               78             6              87            1                0.948301
               79             6              88            1                0.921894
               79             6              89            1                0.956058
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1976048102
        Correlation Energy:       -5.0664369700
        Total MP2 Energy:      -1176.2640417803
# -----------------------------------------------------------
$ 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) :        0.1742335475
        Electronic Contribution:
                  0    
      0      -0.012236
      1      -0.056874
      2      -0.282992
        Nuclear Contribution:
                  0    
      0       0.056234
      1       0.032134
      2       0.329369
        Total Dipole moment:
                  0    
      0       0.043998
      1      -0.024740
      2       0.046377
# -----------------------------------------------------------
$ 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) :        0.1725840527
        Electronic Contribution:
                  0    
      0      -0.012380
      1      -0.056456
      2      -0.283593
        Nuclear Contribution:
                  0    
      0       0.056234
      1       0.032134
      2       0.329369
        Total Dipole moment:
                  0    
      0       0.043854
      1      -0.024322
      2       0.045776
# -----------------------------------------------------------
$ 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) :        0.1367501159
        Electronic Contribution:
                  0    
      0      -0.024399
      1      -0.048983
      2      -0.289405
        Nuclear Contribution:
                  0    
      0       0.056234
      1       0.032134
      2       0.329369
        Total Dipole moment:
                  0    
      0       0.031834
      1      -0.016850
      2       0.039964
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     22.160000000000   19.870000000000   17.480000000000
               1 C     21.570000000000   21.160000000000   16.870000000000
               2 C     22.690000000000   22.230000000000   16.870000000000
               3 C     23.960000000000   21.590000000000   17.490000000000
               4 C     23.650000000000   20.110000000000   17.940000000000
               5 H     22.020000000000   19.090000000000   16.700000000000
               6 H     21.580000000000   19.560000000000   18.350000000000
               7 H     20.790000000000   21.470000000000   17.610000000000
               8 H     21.170000000000   20.950000000000   15.860000000000
               9 H     22.500000000000   23.070000000000   17.480000000000
              10 H     22.880000000000   22.560000000000   15.850000000000
              11 H     24.190000000000   22.220000000000   18.310000000000
              12 H     24.770000000000   21.630000000000   16.780000000000
              13 H     23.690000000000   20.000000000000   18.990000000000
              14 H     24.250000000000   19.420000000000   17.400000000000
              15 C     18.810000000000   24.390000000000   17.380000000000
              16 C     18.010000000000   23.050000000000   17.080000000000
              17 C     18.280000000000   22.670000000000   15.580000000000
              18 C     19.000000000000   23.840000000000   14.940000000000
              19 C     19.230000000000   24.960000000000   16.040000000000
              20 H     19.610000000000   24.150000000000   18.130000000000
              21 H     18.160000000000   25.080000000000   17.900000000000
              22 H     16.930000000000   23.320000000000   17.170000000000
              23 H     18.120000000000   22.290000000000   17.860000000000
              24 H     17.260000000000   22.620000000000   15.090000000000
              25 H     18.790000000000   21.750000000000   15.410000000000
              26 H     18.400000000000   24.210000000000   14.060000000000
              27 H     19.930000000000   23.460000000000   14.610000000000
              28 H     18.940000000000   26.010000000000   15.850000000000
              29 H     20.270000000000   25.150000000000   16.120000000000
              30 C     17.460000000000   21.150000000000   21.200000000000
              31 C     18.200000000000   19.850000000000   20.790000000000
              32 C     19.720000000000   20.120000000000   20.810000000000
              33 C     19.940000000000   21.620000000000   20.960000000000
              34 C     18.550000000000   22.200000000000   21.020000000000
              35 H     17.090000000000   21.020000000000   22.230000000000
              36 H     16.630000000000   21.290000000000   20.580000000000
              37 H     17.830000000000   19.440000000000   19.910000000000
              38 H     18.070000000000   19.100000000000   21.550000000000
              39 H     20.170000000000   19.760000000000   19.880000000000
              40 H     20.290000000000   19.570000000000   21.610000000000
              41 H     20.520000000000   22.040000000000   20.210000000000
              42 H     20.460000000000   21.840000000000   21.920000000000
              43 H     18.470000000000   22.640000000000   20.000000000000
              44 H     18.420000000000   22.960000000000   21.800000000000
              45 C     27.380000000000   19.930000000000   16.300000000000
              46 C     27.270000000000   19.810000000000   17.840000000000
              47 C     26.990000000000   18.270000000000   18.140000000000
              48 C     27.300000000000   17.530000000000   16.820000000000
              49 C     27.260000000000   18.490000000000   15.670000000000
              50 H     28.350000000000   20.310000000000   16.030000000000
              51 H     26.590000000000   20.580000000000   15.930000000000
              52 H     26.580000000000   20.460000000000   18.280000000000
              53 H     28.200000000000   20.070000000000   18.450000000000
              54 H     25.910000000000   18.190000000000   18.330000000000
              55 H     27.650000000000   18.060000000000   18.990000000000
              56 H     26.490000000000   16.790000000000   16.840000000000
              57 H     28.270000000000   17.040000000000   16.810000000000
              58 H     26.430000000000   18.570000000000   15.010000000000
              59 H     28.160000000000   18.260000000000   15.060000000000
              60 C     28.560000000000   23.680000000000   16.720000000000
              61 C     27.270000000000   23.950000000000   17.590000000000
              62 C     27.360000000000   25.420000000000   18.150000000000
              63 C     28.470000000000   26.120000000000   17.340000000000
              64 C     29.330000000000   25.050000000000   16.580000000000
              65 H     28.350000000000   23.260000000000   15.710000000000
              66 H     29.030000000000   22.870000000000   17.170000000000
              67 H     27.150000000000   23.250000000000   18.430000000000
              68 H     26.370000000000   23.860000000000   17.040000000000
              69 H     27.600000000000   25.520000000000   19.160000000000
              70 H     26.450000000000   25.830000000000   17.870000000000
              71 H     29.170000000000   26.720000000000   17.900000000000
              72 H     27.940000000000   26.810000000000   16.610000000000
              73 H     30.260000000000   25.110000000000   17.060000000000
              74 H     29.540000000000   25.270000000000   15.520000000000
              75 C     24.380000000000   26.570000000000   14.840000000000
              76 C     23.600000000000   25.290000000000   14.720000000000
              77 C     24.370000000000   24.270000000000   13.770000000000
              78 C     25.730000000000   24.940000000000   13.470000000000
              79 C     25.820000000000   26.290000000000   14.300000000000
              80 H     24.530000000000   26.790000000000   15.870000000000
              81 H     24.030000000000   27.490000000000   14.340000000000
              82 H     22.610000000000   25.370000000000   14.320000000000
              83 H     23.480000000000   24.780000000000   15.710000000000
              84 H     23.960000000000   24.190000000000   12.800000000000
              85 H     24.470000000000   23.260000000000   14.190000000000
              86 H     25.940000000000   24.990000000000   12.390000000000
              87 H     26.430000000000   24.230000000000   13.810000000000
              88 H     26.240000000000   27.180000000000   13.740000000000
              89 H     26.330000000000   26.100000000000   15.220000000000
