-------------------------------------------------------------
----------------------- !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:    -1171.1973133702
# -----------------------------------------------------------
$ 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     6.2056     6.0000    -0.2056     3.8856     3.8856     0.0000
  1   0     6.1763     6.0000    -0.1763     3.8904     3.8904     0.0000
  2   0     6.1475     6.0000    -0.1475     3.8979     3.8979    -0.0000
  3   0     6.1839     6.0000    -0.1839     3.9085     3.9085     0.0000
  4   0     6.1383     6.0000    -0.1383     3.8740     3.8740    -0.0000
  5   0     0.9098     1.0000     0.0902     0.9743     0.9743     0.0000
  6   0     0.9227     1.0000     0.0773     0.9803     0.9803    -0.0000
  7   0     0.9132     1.0000     0.0868     0.9817     0.9817    -0.0000
  8   0     0.8932     1.0000     0.1068     0.9723     0.9723     0.0000
  9   0     0.9038     1.0000     0.0962     0.9739     0.9739    -0.0000
 10   0     0.9215     1.0000     0.0785     0.9790     0.9790     0.0000
 11   0     0.9317     1.0000     0.0683     0.9738     0.9738     0.0000
 12   0     0.9065     1.0000     0.0935     0.9720     0.9720     0.0000
 13   0     0.8988     1.0000     0.1012     0.9700     0.9700    -0.0000
 14   0     0.9428     1.0000     0.0572     0.9774     0.9774     0.0000
 15   0     6.1662     6.0000    -0.1662     3.8821     3.8821    -0.0000
 16   0     6.2067     6.0000    -0.2067     3.8718     3.8718    -0.0000
 17   0     6.1337     6.0000    -0.1337     3.8849     3.8849    -0.0000
 18   0     6.1422     6.0000    -0.1422     3.9180     3.9180     0.0000
 19   0     6.1824     6.0000    -0.1824     3.8997     3.8997    -0.0000
 20   0     0.9196     1.0000     0.0804     0.9796     0.9796    -0.0000
 21   0     0.9029     1.0000     0.0971     0.9723     0.9723    -0.0000
 22   0     0.9276     1.0000     0.0724     0.9825     0.9825    -0.0000
 23   0     0.9086     1.0000     0.0914     0.9708     0.9708     0.0000
 24   0     0.9178     1.0000     0.0822     0.9770     0.9770     0.0000
 25   0     0.9251     1.0000     0.0749     0.9786     0.9786    -0.0000
 26   0     0.9202     1.0000     0.0798     0.9792     0.9792     0.0000
 27   0     0.9165     1.0000     0.0835     0.9801     0.9801     0.0000
 28   0     0.9105     1.0000     0.0895     0.9758     0.9758     0.0000
 29   0     0.9142     1.0000     0.0858     0.9749     0.9749    -0.0000
 30   0     6.1355     6.0000    -0.1355     3.8124     3.8124    -0.0000
 31   0     6.1089     6.0000    -0.1089     3.9205     3.9205    -0.0000
 32   0     6.1787     6.0000    -0.1787     3.9668     3.9668    -0.0000
 33   0     6.0973     6.0000    -0.0973     3.8252     3.8252    -0.0000
 34   0     6.2487     6.0000    -0.2487     3.9106     3.9106    -0.0000
 35   0     0.9135     1.0000     0.0865     0.9726     0.9726    -0.0000
 36   0     0.9468     1.0000     0.0532     0.9992     0.9992    -0.0000
 37   0     0.9465     1.0000     0.0535     0.9911     0.9911     0.0000
 38   0     0.9102     1.0000     0.0898     0.9777     0.9777    -0.0000
 39   0     0.9146     1.0000     0.0854     0.9706     0.9706     0.0000
 40   0     0.9105     1.0000     0.0895     0.9771     0.9771     0.0000
 41   0     0.9082     1.0000     0.0918     0.9757     0.9757    -0.0000
 42   0     0.9581     1.0000     0.0419     1.0065     1.0065    -0.0000
 43   0     0.9228     1.0000     0.0772     0.9731     0.9731    -0.0000
 44   0     0.9144     1.0000     0.0856     0.9688     0.9688    -0.0000
 45   0     6.1038     6.0000    -0.1038     3.8676     3.8676     0.0000
 46   0     6.2121     6.0000    -0.2121     3.8908     3.8908     0.0000
 47   0     6.1090     6.0000    -0.1090     3.9079     3.9079    -0.0000
 48   0     6.1778     6.0000    -0.1778     3.9111     3.9111     0.0000
 49   0     6.2230     6.0000    -0.2230     3.9202     3.9202     0.0000
 50   0     0.9133     1.0000     0.0867     0.9739     0.9739    -0.0000
 51   0     0.9292     1.0000     0.0708     0.9760     0.9760     0.0000
 52   0     0.8972     1.0000     0.1028     0.9685     0.9685     0.0000
 53   0     0.9383     1.0000     0.0617     0.9743     0.9743     0.0000
 54   0     0.9327     1.0000     0.0673     0.9892     0.9892     0.0000
 55   0     0.9102     1.0000     0.0898     0.9780     0.9780     0.0000
 56   0     0.9104     1.0000     0.0896     0.9768     0.9768    -0.0000
 57   0     0.9143     1.0000     0.0857     0.9748     0.9748     0.0000
 58   0     0.9200     1.0000     0.0800     0.9710     0.9710     0.0000
 59   0     0.9106     1.0000     0.0894     0.9735     0.9735     0.0000
 60   0     6.1737     6.0000    -0.1737     3.9043     3.9043     0.0000
 61   0     6.1278     6.0000    -0.1278     3.8658     3.8658    -0.0000
 62   0     6.1864     6.0000    -0.1864     3.9127     3.9127    -0.0000
 63   0     6.1374     6.0000    -0.1374     3.8987     3.8987     0.0000
 64   0     6.1842     6.0000    -0.1842     3.8566     3.8566     0.0000
 65   0     0.9196     1.0000     0.0804     0.9720     0.9720    -0.0000
 66   0     0.9150     1.0000     0.0850     0.9720     0.9720     0.0000
 67   0     0.9160     1.0000     0.0840     0.9791     0.9791     0.0000
 68   0     0.9176     1.0000     0.0824     0.9731     0.9731    -0.0000
 69   0     0.9168     1.0000     0.0832     0.9751     0.9751     0.0000
 70   0     0.9219     1.0000     0.0781     0.9780     0.9780    -0.0000
 71   0     0.9250     1.0000     0.0750     0.9828     0.9828     0.0000
 72   0     0.9090     1.0000     0.0910     0.9710     0.9710     0.0000
 73   0     0.9023     1.0000     0.0977     0.9758     0.9758     0.0000
 74   0     0.9412     1.0000     0.0588     0.9831     0.9831     0.0000
 75   0     6.1257     6.0000    -0.1257     3.8844     3.8844    -0.0000
 76   0     6.2201     6.0000    -0.2201     3.9210     3.9210    -0.0000
 77   0     6.1112     6.0000    -0.1112     3.8881     3.8881    -0.0000
 78   0     6.1673     6.0000    -0.1673     3.9004     3.9004    -0.0000
 79   0     6.1862     6.0000    -0.1862     3.8876     3.8876    -0.0000
 80   0     0.9035     1.0000     0.0965     0.9750     0.9750    -0.0000
 81   0     0.9222     1.0000     0.0778     0.9789     0.9789    -0.0000
 82   0     0.9090     1.0000     0.0910     0.9713     0.9713    -0.0000
 83   0     0.9193     1.0000     0.0807     0.9745     0.9745     0.0000
 84   0     0.9164     1.0000     0.0836     0.9800     0.9800    -0.0000
 85   0     0.9290     1.0000     0.0710     0.9817     0.9817     0.0000
 86   0     0.9218     1.0000     0.0782     0.9762     0.9762    -0.0000
 87   0     0.9160     1.0000     0.0840     0.9770     0.9770    -0.0000
 88   0     0.9164     1.0000     0.0836     0.9732     0.9732    -0.0000
 89   0     0.9357     1.0000     0.0643     0.9772     0.9772    -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                0.961425
                0             6               4            6                0.975646
                0             6               5            1                0.992695
                0             6               6            1                0.988907
                1             6               2            6                0.966320
                1             6               7            1                0.998982
                1             6               8            1                0.985414
                2             6               3            6                0.973226
                2             6               9            1                0.994508
                2             6              10            1                0.999073
                3             6               4            6                0.966567
                3             6              11            1                0.992353
                3             6              12            1                0.993161
                4             6              13            1                0.979854
                4             6              14            1                1.001646
               15             6              16            6                0.975544
               15             6              19            6                0.961946
               15             6              20            1                0.995770
               15             6              21            1                0.981711
               16             6              17            6                0.949452
               16             6              22            1                0.995115
               16             6              23            1                0.993453
               17             6              18            6                0.976586
               17             6              24            1                0.997338
               17             6              25            1                1.006859
               18             6              19            6                0.980903
               18             6              26            1                0.993572
               18             6              27            1                0.995684
               19             6              28            1                0.991744
               19             6              29            1                0.998931
               30             6              31            6                0.967559
               30             6              34            6                0.946344
               30             6              35            1                0.981028
               30             6              36            1                1.006820
               31             6              32            6                1.001160
               31             6              37            1                1.001007
               31             6              38            1                0.984325
               32             6              33            6                0.953999
               32             6              39            1                1.000425
               32             6              40            1                1.001898
               33             6              34            6                0.959241
               33             6              41            1                0.987791
               33             6              42            1                1.010925
               34             6              43            1                1.000951
               34             6              44            1                0.994505
               45             6              46            6                0.966957
               45             6              49            6                0.976490
               45             6              50            1                0.982153
               45             6              51            1                0.994240
               46             6              47            6                0.966051
               46             6              52            1                0.978093
               46             6              53            1                0.996487
               47             6              48            6                0.982479
               47             6              54            1                0.988062
               47             6              55            1                0.990634
               48             6              49            6                0.973048
               48             6              56            1                0.998699
               48             6              57            1                0.996524
               49             6              58            1                1.000744
               49             6              59            1                0.991093
               60             6              61            6                0.973658
               60             6              64            6                0.959871
               60             6              65            1                0.991383
               60             6              66            1                0.984898
               61             6              62            6                0.963142
               61             6              67            1                0.993876
               61             6              68            1                0.993377
               62             6              63            6                0.988139
               62             6              69            1                0.993064
               62             6              70            1                0.993085
               63             6              64            6                0.957947
               63             6              71            1                0.996747
               63             6              72            1                0.985231
               64             6              73            1                0.991290
               64             6              74            1                1.007663
               75             6              76            6                0.968779
               75             6              79            6                0.971049
               75             6              80            1                0.989473
               75             6              81            1                0.989835
               76             6              77            6                0.975702
               76             6              82            1                0.994006
               76             6              83            1                0.994979
               77             6              78            6                0.975278
               77             6              84            1                0.987429
               77             6              85            1                0.995070
               78             6              79            6                0.969747
               78             6              86            1                0.991368
               78             6              87            1                0.989424
               79             6              88            1                0.989820
               79             6              89            1                0.995266
# -----------------------------------------------------------
$ 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     6.2139     6.0000    -0.2139     4.0033     3.6677     0.3356
  1   0     6.1834     6.0000    -0.1834     4.0020     3.6724     0.3296
  2   0     6.1554     6.0000    -0.1554     4.0068     3.6877     0.3191
  3   0     6.1912     6.0000    -0.1912     4.0167     3.6986     0.3181
  4   0     6.1464     6.0000    -0.1464     3.9856     3.6546     0.3310
  5   0     0.9057     1.0000     0.0943     0.9831     0.9323     0.0508
  6   0     0.9187     1.0000     0.0813     0.9900     0.9395     0.0505
  7   0     0.9094     1.0000     0.0906     0.9910     0.9391     0.0519
  8   0     0.8894     1.0000     0.1106     0.9810     0.9321     0.0489
  9   0     0.8999     1.0000     0.1001     0.9827     0.9333     0.0494
 10   0     0.9178     1.0000     0.0822     0.9888     0.9366     0.0522
 11   0     0.9279     1.0000     0.0721     0.9841     0.9315     0.0526
 12   0     0.9027     1.0000     0.0973     0.9809     0.9285     0.0524
 13   0     0.8949     1.0000     0.1051     0.9790     0.9268     0.0522
 14   0     0.9389     1.0000     0.0611     0.9882     0.9308     0.0574
 15   0     6.1733     6.0000    -0.1733     3.9929     3.6681     0.3248
 16   0     6.2150     6.0000    -0.2150     3.9873     3.6552     0.3321
 17   0     6.1414     6.0000    -0.1414     3.9923     3.6786     0.3137
 18   0     6.1497     6.0000    -0.1497     4.0234     3.7087     0.3147
 19   0     6.1901     6.0000    -0.1901     4.0122     3.6849     0.3273
 20   0     0.9156     1.0000     0.0844     0.9888     0.9381     0.0507
 21   0     0.8992     1.0000     0.1008     0.9815     0.9299     0.0516
 22   0     0.9236     1.0000     0.0764     0.9922     0.9385     0.0537
 23   0     0.9046     1.0000     0.0954     0.9797     0.9276     0.0521
 24   0     0.9140     1.0000     0.0860     0.9866     0.9357     0.0509
 25   0     0.9213     1.0000     0.0787     0.9883     0.9385     0.0498
 26   0     0.9165     1.0000     0.0835     0.9888     0.9393     0.0495
 27   0     0.9127     1.0000     0.0873     0.9893     0.9394     0.0499
 28   0     0.9069     1.0000     0.0931     0.9852     0.9309     0.0543
 29   0     0.9105     1.0000     0.0895     0.9844     0.9334     0.0510
 30   0     6.1437     6.0000    -0.1437     3.9272     3.5936     0.3336
 31   0     6.1172     6.0000    -0.1172     4.0277     3.7077     0.3200
 32   0     6.1867     6.0000    -0.1867     4.0743     3.7573     0.3170
 33   0     6.1051     6.0000    -0.1051     3.9333     3.6121     0.3212
 34   0     6.2575     6.0000    -0.2575     4.0310     3.6931     0.3379
 35   0     0.9094     1.0000     0.0906     0.9818     0.9256     0.0562
 36   0     0.9433     1.0000     0.0567     1.0103     0.9534     0.0569
 37   0     0.9417     1.0000     0.0583     1.0002     0.9468     0.0534
 38   0     0.9059     1.0000     0.0941     0.9865     0.9375     0.0490
 39   0     0.9107     1.0000     0.0893     0.9800     0.9273     0.0527
 40   0     0.9065     1.0000     0.0935     0.9861     0.9363     0.0498
 41   0     0.9041     1.0000     0.0959     0.9845     0.9336     0.0509
 42   0     0.9541     1.0000     0.0459     1.0172     0.9622     0.0550
 43   0     0.9183     1.0000     0.0817     0.9824     0.9283     0.0541
 44   0     0.9101     1.0000     0.0899     0.9779     0.9249     0.0530
 45   0     6.1130     6.0000    -0.1130     3.9767     3.6531     0.3236
 46   0     6.2197     6.0000    -0.2197     4.0080     3.6752     0.3328
 47   0     6.1165     6.0000    -0.1165     4.0144     3.6954     0.3190
 48   0     6.1859     6.0000    -0.1859     4.0232     3.6958     0.3274
 49   0     6.2298     6.0000    -0.2298     4.0294     3.7086     0.3208
 50   0     0.9092     1.0000     0.0908     0.9831     0.9299     0.0532
 51   0     0.9252     1.0000     0.0748     0.9859     0.9334     0.0525
 52   0     0.8931     1.0000     0.1069     0.9776     0.9242     0.0534
 53   0     0.9340     1.0000     0.0660     0.9848     0.9308     0.0540
 54   0     0.9294     1.0000     0.0706     1.0002     0.9461     0.0541
 55   0     0.9056     1.0000     0.0944     0.9863     0.9409     0.0454
 56   0     0.9065     1.0000     0.0935     0.9858     0.9328     0.0530
 57   0     0.9104     1.0000     0.0896     0.9841     0.9304     0.0537
 58   0     0.9164     1.0000     0.0836     0.9809     0.9269     0.0540
 59   0     0.9068     1.0000     0.0932     0.9826     0.9311     0.0515
 60   0     6.1829     6.0000    -0.1829     4.0182     3.6933     0.3249
 61   0     6.1357     6.0000    -0.1357     3.9747     3.6594     0.3153
 62   0     6.1940     6.0000    -0.1940     4.0219     3.6993     0.3226
 63   0     6.1456     6.0000    -0.1456     4.0067     3.6863     0.3204
 64   0     6.1912     6.0000    -0.1912     3.9686     3.6414     0.3272
 65   0     0.9153     1.0000     0.0847     0.9815     0.9283     0.0532
 66   0     0.9109     1.0000     0.0891     0.9814     0.9286     0.0528
 67   0     0.9117     1.0000     0.0883     0.9881     0.9392     0.0489
 68   0     0.9138     1.0000     0.0862     0.9825     0.9282     0.0543
 69   0     0.9129     1.0000     0.0871     0.9846     0.9332     0.0514
 70   0     0.9181     1.0000     0.0819     0.9875     0.9341     0.0534
 71   0     0.9211     1.0000     0.0789     0.9924     0.9412     0.0512
 72   0     0.9052     1.0000     0.0948     0.9800     0.9286     0.0514
 73   0     0.8981     1.0000     0.1019     0.9843     0.9346     0.0497
 74   0     0.9376     1.0000     0.0624     0.9940     0.9360     0.0580
 75   0     6.1333     6.0000    -0.1333     3.9904     3.6759     0.3145
 76   0     6.2282     6.0000    -0.2282     4.0330     3.7120     0.3210
 77   0     6.1183     6.0000    -0.1183     3.9923     3.6829     0.3094
 78   0     6.1755     6.0000    -0.1755     4.0103     3.6846     0.3257
 79   0     6.1942     6.0000    -0.1942     3.9989     3.6794     0.3195
 80   0     0.8998     1.0000     0.1002     0.9841     0.9342     0.0499
 81   0     0.9182     1.0000     0.0818     0.9884     0.9365     0.0519
 82   0     0.9052     1.0000     0.0948     0.9805     0.9289     0.0516
 83   0     0.9155     1.0000     0.0845     0.9840     0.9300     0.0540
 84   0     0.9125     1.0000     0.0875     0.9893     0.9396     0.0497
 85   0     0.9251     1.0000     0.0749     0.9915     0.9421     0.0494
 86   0     0.9180     1.0000     0.0820     0.9858     0.9322     0.0536
 87   0     0.9121     1.0000     0.0879     0.9862     0.9332     0.0530
 88   0     0.9122     1.0000     0.0878     0.9824     0.9304     0.0520
 89   0     0.9320     1.0000     0.0680     0.9879     0.9340     0.0539
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.894226
                0             6               4            6                0.908533
                0             6               5            1                0.951771
                0             6               6            1                0.949339
                1             6               2            6                0.900391
                1             6               7            1                0.957207
                1             6               8            1                0.946299
                2             6               3            6                0.912963
                2             6               9            1                0.955188
                2             6              10            1                0.957710
                3             6               4            6                0.904080
                3             6              11            1                0.951482
                3             6              12            1                0.951240
                4             6              13            1                0.938559
                4             6              14            1                0.955899
               15             6              16            6                0.909243
               15             6              19            6                0.899367
               15             6              20            1                0.955344
               15             6              21            1                0.940495
               16             6              17            6                0.887093
               16             6              22            1                0.952087
               16             6              23            1                0.951151
               17             6              18            6                0.914579
               17             6              24            1                0.957069
               17             6              25            1                0.967478
               18             6              19            6                0.915443
               18             6              26            1                0.954801
               18             6              27            1                0.956250
               19             6              28            1                0.948267
               19             6              29            1                0.958527
               30             6              31            6                0.903594
               30             6              34            6                0.883421
               30             6              35            1                0.935480
               30             6              36            1                0.962257
               31             6              32            6                0.939491
               31             6              37            1                0.957235
               31             6              38            1                0.945094
               32             6              33            6                0.891417
               32             6              39            1                0.958144
               32             6              40            1                0.962200
               33             6              34            6                0.895707
               33             6              41            1                0.946797
               33             6              42            1                0.967177
               34             6              43            1                0.956612
               34             6              44            1                0.951582
               45             6              46            6                0.903331
               45             6              49            6                0.912011
               45             6              50            1                0.939915
               45             6              51            1                0.952850
               46             6              47            6                0.903253
               46             6              52            1                0.935337
               46             6              53            1                0.953761
               47             6              48            6                0.915452
               47             6              54            1                0.945895
               47             6              55            1                0.954640
               48             6              49            6                0.913223
               48             6              56            1                0.955906
               48             6              57            1                0.953377
               49             6              58            1                0.957676
               49             6              59            1                0.950315
               60             6              61            6                0.915161
               60             6              64            6                0.896444
               60             6              65            1                0.949013
               60             6              66            1                0.942969
               61             6              62            6                0.900628
               61             6              67            1                0.955460
               61             6              68            1                0.949589
               62             6              63            6                0.923778
               62             6              69            1                0.952569
               62             6              70            1                0.950523
               63             6              64            6                0.894724
               63             6              71            1                0.956330
               63             6              72            1                0.944226
               64             6              73            1                0.951637
               64             6              74            1                0.961171
               75             6              76            6                0.905711
               75             6              79            6                0.910096
               75             6              80            1                0.950038
               75             6              81            1                0.948695
               76             6              77            6                0.917693
               76             6              82            1                0.952928
               76             6              83            1                0.951948
               77             6              78            6                0.908655
               77             6              84            1                0.948609
               77             6              85            1                0.956610
               78             6              79            6                0.908958
               78             6              86            1                0.948948
               78             6              87            1                0.947188
               79             6              88            1                0.948426
               79             6              89            1                0.953193
# -----------------------------------------------------------
$ 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     6.2698     6.0000    -0.2698     3.9960     3.6649     0.3311
  1   0     6.2272     6.0000    -0.2272     3.9894     3.6641     0.3253
  2   0     6.2137     6.0000    -0.2137     4.0032     3.6880     0.3152
  3   0     6.2349     6.0000    -0.2349     4.0044     3.6906     0.3138
  4   0     6.1944     6.0000    -0.1944     3.9677     3.6410     0.3267
  5   0     0.8767     1.0000     0.1233     0.9726     0.9232     0.0494
  6   0     0.8913     1.0000     0.1087     0.9812     0.9319     0.0493
  7   0     0.8856     1.0000     0.1144     0.9817     0.9309     0.0508
  8   0     0.8680     1.0000     0.1320     0.9780     0.9302     0.0478
  9   0     0.8775     1.0000     0.1225     0.9744     0.9260     0.0484
 10   0     0.8908     1.0000     0.1092     0.9779     0.9268     0.0511
 11   0     0.9018     1.0000     0.0982     0.9740     0.9224     0.0516
 12   0     0.8793     1.0000     0.1207     0.9722     0.9208     0.0514
 13   0     0.8743     1.0000     0.1257     0.9724     0.9212     0.0512
 14   0     0.9104     1.0000     0.0896     0.9783     0.9221     0.0562
 15   0     6.2282     6.0000    -0.2282     3.9924     3.6720     0.3204
 16   0     6.2604     6.0000    -0.2604     3.9735     3.6458     0.3277
 17   0     6.2012     6.0000    -0.2012     3.9756     3.6657     0.3099
 18   0     6.2060     6.0000    -0.2060     4.0068     3.6957     0.3111
 19   0     6.2361     6.0000    -0.2361     3.9982     3.6751     0.3231
 20   0     0.8882     1.0000     0.1118     0.9796     0.9301     0.0495
 21   0     0.8756     1.0000     0.1244     0.9746     0.9241     0.0505
 22   0     0.8939     1.0000     0.1061     0.9819     0.9296     0.0523
 23   0     0.8802     1.0000     0.1198     0.9720     0.9209     0.0511
 24   0     0.8870     1.0000     0.1130     0.9782     0.9284     0.0498
 25   0     0.8930     1.0000     0.1070     0.9783     0.9296     0.0487
 26   0     0.8907     1.0000     0.1093     0.9793     0.9308     0.0485
 27   0     0.8880     1.0000     0.1120     0.9802     0.9313     0.0489
 28   0     0.8821     1.0000     0.1179     0.9761     0.9228     0.0533
 29   0     0.8852     1.0000     0.1148     0.9746     0.9247     0.0499
 30   0     6.1981     6.0000    -0.1981     3.9272     3.5987     0.3285
 31   0     6.1854     6.0000    -0.1854     4.0143     3.6984     0.3159
 32   0     6.2303     6.0000    -0.2303     4.0467     3.7339     0.3128
 33   0     6.1733     6.0000    -0.1733     3.9349     3.6178     0.3171
 34   0     6.2974     6.0000    -0.2974     4.0139     3.6811     0.3328
 35   0     0.8855     1.0000     0.1145     0.9741     0.9191     0.0550
 36   0     0.9169     1.0000     0.0831     1.0037     0.9482     0.0555
 37   0     0.9056     1.0000     0.0944     0.9895     0.9377     0.0518
 38   0     0.8807     1.0000     0.1193     0.9797     0.9319     0.0478
 39   0     0.8869     1.0000     0.1131     0.9728     0.9212     0.0516
 40   0     0.8825     1.0000     0.1175     0.9783     0.9296     0.0487
 41   0     0.8812     1.0000     0.1188     0.9772     0.9275     0.0497
 42   0     0.9136     1.0000     0.0864     0.9998     0.9465     0.0533
 43   0     0.8875     1.0000     0.1125     0.9727     0.9203     0.0524
 44   0     0.8875     1.0000     0.1125     0.9725     0.9207     0.0518
 45   0     6.1715     6.0000    -0.1715     3.9556     3.6360     0.3196
 46   0     6.2572     6.0000    -0.2572     3.9843     3.6566     0.3277
 47   0     6.1821     6.0000    -0.1821     4.0131     3.6983     0.3148
 48   0     6.2312     6.0000    -0.2312     4.0074     3.6844     0.3230
 49   0     6.2678     6.0000    -0.2678     4.0095     3.6934     0.3161
 50   0     0.8869     1.0000     0.1131     0.9763     0.9242     0.0521
 51   0     0.8977     1.0000     0.1023     0.9793     0.9280     0.0513
 52   0     0.8725     1.0000     0.1275     0.9744     0.9222     0.0522
 53   0     0.9058     1.0000     0.0942     0.9736     0.9209     0.0527
 54   0     0.9029     1.0000     0.0971     0.9929     0.9402     0.0527
 55   0     0.8834     1.0000     0.1166     0.9805     0.9362     0.0443
 56   0     0.8821     1.0000     0.1179     0.9786     0.9267     0.0519
 57   0     0.8867     1.0000     0.1133     0.9745     0.9218     0.0527
 58   0     0.8891     1.0000     0.1109     0.9723     0.9196     0.0527
 59   0     0.8840     1.0000     0.1160     0.9745     0.9240     0.0505
 60   0     6.2356     6.0000    -0.2356     4.0116     3.6913     0.3203
 61   0     6.1929     6.0000    -0.1929     3.9756     3.6646     0.3110
 62   0     6.2319     6.0000    -0.2319     3.9915     3.6730     0.3185
 63   0     6.1976     6.0000    -0.1976     3.9954     3.6791     0.3163
 64   0     6.2345     6.0000    -0.2345     3.9529     3.6300     0.3229
 65   0     0.8911     1.0000     0.1089     0.9792     0.9274     0.0518
 66   0     0.8888     1.0000     0.1112     0.9731     0.9213     0.0518
 67   0     0.8879     1.0000     0.1121     0.9791     0.9313     0.0478
 68   0     0.8888     1.0000     0.1112     0.9765     0.9233     0.0532
 69   0     0.8903     1.0000     0.1097     0.9769     0.9265     0.0504
 70   0     0.8940     1.0000     0.1060     0.9799     0.9275     0.0524
 71   0     0.8972     1.0000     0.1028     0.9827     0.9325     0.0502
 72   0     0.8835     1.0000     0.1165     0.9741     0.9236     0.0505
 73   0     0.8774     1.0000     0.1226     0.9767     0.9280     0.0487
 74   0     0.9031     1.0000     0.0969     0.9849     0.9286     0.0563
 75   0     6.1836     6.0000    -0.1836     3.9807     3.6702     0.3105
 76   0     6.2663     6.0000    -0.2663     4.0162     3.6996     0.3166
 77   0     6.1780     6.0000    -0.1780     3.9822     3.6766     0.3056
 78   0     6.2169     6.0000    -0.2169     3.9886     3.6671     0.3215
 79   0     6.2493     6.0000    -0.2493     3.9946     3.6795     0.3151
 80   0     0.8783     1.0000     0.1217     0.9791     0.9303     0.0488
 81   0     0.8957     1.0000     0.1043     0.9803     0.9294     0.0509
 82   0     0.8828     1.0000     0.1172     0.9728     0.9222     0.0506
 83   0     0.8895     1.0000     0.1105     0.9758     0.9230     0.0528
 84   0     0.8889     1.0000     0.1111     0.9809     0.9322     0.0487
 85   0     0.8986     1.0000     0.1014     0.9827     0.9343     0.0484
 86   0     0.8953     1.0000     0.1047     0.9783     0.9257     0.0526
 87   0     0.8881     1.0000     0.1119     0.9783     0.9264     0.0519
 88   0     0.8850     1.0000     0.1150     0.9724     0.9215     0.0509
 89   0     0.9040     1.0000     0.0960     0.9805     0.9278     0.0527
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.900728
                0             6               4            6                0.914824
                0             6               5            1                0.937159
                0             6               6            1                0.940317
                1             6               2            6                0.909886
                1             6               7            1                0.941618
                1             6               8            1                0.936824
                2             6               3            6                0.927878
                2             6               9            1                0.940892
                2             6              10            1                0.944108
                3             6               4            6                0.917063
                3             6              11            1                0.935571
                3             6              12            1                0.934697
                4             6              13            1                0.924507
                4             6              14            1                0.937932
               15             6              16            6                0.912574
               15             6              19            6                0.915003
               15             6              20            1                0.942432
               15             6              21            1                0.929768
               16             6              17            6                0.895712
               16             6              22            1                0.937249
               16             6              23            1                0.940850
               17             6              18            6                0.921853
               17             6              24            1                0.942586
               17             6              25            1                0.955490
               18             6              19            6                0.920451
               18             6              26            1                0.943216
               18             6              27            1                0.943076
               19             6              28            1                0.932330
               19             6              29            1                0.945165
               30             6              31            6                0.912730
               30             6              34            6                0.898340
               30             6              35            1                0.918543
               30             6              36            1                0.946001
               31             6              32            6                0.944113
               31             6              37            1                0.942161
               31             6              38            1                0.932796
               32             6              33            6                0.903669
               32             6              39            1                0.943167
               32             6              40            1                0.945836
               33             6              34            6                0.907835
               33             6              41            1                0.934680
               33             6              42            1                0.948043
               34             6              43            1                0.938959
               34             6              44            1                0.932021
               45             6              46            6                0.908155
               45             6              49            6                0.916914
               45             6              50            1                0.925808
               45             6              51            1                0.942522
               46             6              47            6                0.914433
               46             6              52            1                0.919484
               46             6              53            1                0.938299
               47             6              48            6                0.921641
               47             6              54            1                0.933030
               47             6              55            1                0.945466
               48             6              49            6                0.928525
               48             6              56            1                0.938798
               48             6              57            1                0.936001
               49             6              58            1                0.939689
               49             6              59            1                0.936097
               60             6              61            6                0.933121
               60             6              64            6                0.905266
               60             6              65            1                0.934256
               60             6              66            1                0.926044
               61             6              62            6                0.908375
               61             6              67            1                0.940731
               61             6              68            1                0.935696
               62             6              63            6                0.928327
               62             6              69            1                0.938394
               62             6              70            1                0.936912
               63             6              64            6                0.908068
               63             6              71            1                0.941224
               63             6              72            1                0.933845
               64             6              73            1                0.938660
               64             6              74            1                0.942628
               75             6              76            6                0.915874
               75             6              79            6                0.922029
               75             6              80            1                0.938168
               75             6              81            1                0.935059
               76             6              77            6                0.931704
               76             6              82            1                0.937835
               76             6              83            1                0.935804
               77             6              78            6                0.912424
               77             6              84            1                0.936119
               77             6              85            1                0.945478
               78             6              79            6                0.922257
               78             6              86            1                0.933438
               78             6              87            1                0.934163
               79             6              88            1                0.934487
               79             6              89            1                0.939346
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1973133702
        Correlation Energy:       -5.0771016532
        Total MP2 Energy:      -1176.2744150233
# -----------------------------------------------------------
$ 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) :        0.2541715323
        Electronic Contribution:
                  0    
      0       0.072364
      1      -0.790098
      2       0.611984
        Nuclear Contribution:
                  0    
      0      -0.080334
      1       0.690872
      2      -0.602504
        Total Dipole moment:
                  0    
      0      -0.007970
      1      -0.099227
      2       0.009479
# -----------------------------------------------------------
$ 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) :        0.2513444056
        Electronic Contribution:
                  0    
      0       0.071505
      1      -0.789076
      2       0.609999
        Nuclear Contribution:
                  0    
      0      -0.080334
      1       0.690872
      2      -0.602504
        Total Dipole moment:
                  0    
      0      -0.008829
      1      -0.098204
      2       0.007495
# -----------------------------------------------------------
$ 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) :        0.1882632849
        Electronic Contribution:
                  0    
      0       0.053381
      1      -0.754509
      2       0.575864
        Nuclear Contribution:
                  0    
      0      -0.080334
      1       0.690872
      2      -0.602504
        Total Dipole moment:
                  0    
      0      -0.026953
      1      -0.063637
      2      -0.026640
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     18.430000000000   21.610000000000   17.680000000000
               1 C     16.990000000000   22.170000000000   18.090000000000
               2 C     16.280000000000   22.540000000000   16.690000000000
               3 C     17.170000000000   22.230000000000   15.520000000000
               4 C     18.310000000000   21.390000000000   16.110000000000
               5 H     18.740000000000   20.700000000000   18.150000000000
               6 H     19.260000000000   22.250000000000   17.710000000000
               7 H     17.300000000000   23.050000000000   18.640000000000
               8 H     16.480000000000   21.480000000000   18.710000000000
               9 H     15.870000000000   23.520000000000   16.740000000000
              10 H     15.400000000000   21.940000000000   16.550000000000
              11 H     17.510000000000   23.170000000000   15.110000000000
              12 H     16.750000000000   21.760000000000   14.600000000000
              13 H     19.280000000000   21.340000000000   15.560000000000
              14 H     17.850000000000   20.370000000000   16.010000000000
              15 C     15.140000000000   18.060000000000   17.890000000000
              16 C     15.070000000000   16.670000000000   18.640000000000
              17 C     13.830000000000   15.940000000000   18.080000000000
              18 C     13.090000000000   16.780000000000   17.030000000000
              19 C     14.080000000000   17.980000000000   16.740000000000
              20 H     16.140000000000   18.110000000000   17.540000000000
              21 H     14.950000000000   18.940000000000   18.510000000000
              22 H     15.040000000000   16.910000000000   19.720000000000
              23 H     15.910000000000   15.980000000000   18.450000000000
              24 H     13.260000000000   15.570000000000   18.900000000000
              25 H     14.190000000000   15.060000000000   17.660000000000
              26 H     12.170000000000   17.110000000000   17.420000000000
              27 H     12.860000000000   16.190000000000   16.170000000000
              28 H     13.470000000000   18.890000000000   16.470000000000
              29 H     14.520000000000   17.800000000000   15.790000000000
              30 C     17.280000000000   19.540000000000   20.550000000000
              31 C     17.680000000000   18.070000000000   20.760000000000
              32 C     19.200000000000   18.070000000000   20.780000000000
              33 C     19.700000000000   19.500000000000   21.040000000000
              34 C     18.490000000000   20.440000000000   20.960000000000
              35 H     16.320000000000   19.800000000000   21.140000000000
              36 H     17.020000000000   19.640000000000   19.480000000000
              37 H     17.270000000000   17.590000000000   19.850000000000
              38 H     17.230000000000   17.650000000000   21.630000000000
              39 H     19.660000000000   17.790000000000   19.820000000000
              40 H     19.640000000000   17.410000000000   21.490000000000
              41 H     20.510000000000   19.810000000000   20.390000000000
              42 H     20.040000000000   19.580000000000   22.080000000000
              43 H     18.660000000000   21.330000000000   20.320000000000
              44 H     18.280000000000   20.960000000000   21.900000000000
              45 C     18.970000000000   24.360000000000   22.120000000000
              46 C     19.910000000000   23.270000000000   22.690000000000
              47 C     20.950000000000   22.940000000000   21.610000000000
              48 C     20.850000000000   24.170000000000   20.590000000000
              49 C     19.740000000000   25.080000000000   21.000000000000
              50 H     18.640000000000   25.090000000000   22.910000000000
              51 H     18.140000000000   23.840000000000   21.660000000000
              52 H     19.420000000000   22.470000000000   23.310000000000
              53 H     20.460000000000   23.850000000000   23.410000000000
              54 H     20.650000000000   22.060000000000   21.040000000000
              55 H     21.890000000000   22.970000000000   21.960000000000
              56 H     20.750000000000   23.890000000000   19.520000000000
              57 H     21.770000000000   24.800000000000   20.580000000000
              58 H     18.900000000000   25.180000000000   20.310000000000
              59 H     19.970000000000   26.120000000000   21.260000000000
              60 C     20.520000000000   20.300000000000   24.790000000000
              61 C     20.470000000000   21.380000000000   25.810000000000
              62 C     21.900000000000   21.650000000000   26.290000000000
              63 C     22.870000000000   21.120000000000   25.180000000000
              64 C     21.970000000000   20.300000000000   24.240000000000
              65 H     19.740000000000   20.410000000000   24.020000000000
              66 H     20.380000000000   19.270000000000   25.180000000000
              67 H     19.850000000000   21.160000000000   26.630000000000
              68 H     20.120000000000   22.390000000000   25.460000000000
              69 H     22.060000000000   21.150000000000   27.240000000000
              70 H     21.980000000000   22.750000000000   26.450000000000
              71 H     23.550000000000   20.400000000000   25.600000000000
              72 H     23.400000000000   21.930000000000   24.650000000000
              73 H     22.420000000000   19.360000000000   23.960000000000
              74 H     21.990000000000   20.940000000000   23.310000000000
              75 C     14.800000000000   15.750000000000   22.960000000000
              76 C     13.350000000000   15.190000000000   22.930000000000
              77 C     12.450000000000   16.310000000000   23.250000000000
              78 C     13.310000000000   17.450000000000   23.940000000000
              79 C     14.690000000000   17.190000000000   23.390000000000
              80 H     15.310000000000   15.730000000000   22.020000000000
              81 H     15.310000000000   15.200000000000   23.760000000000
              82 H     13.290000000000   14.300000000000   23.570000000000
              83 H     13.030000000000   14.760000000000   21.950000000000
              84 H     11.650000000000   16.110000000000   23.920000000000
              85 H     12.110000000000   16.750000000000   22.370000000000
              86 H     13.290000000000   17.340000000000   25.060000000000
              87 H     12.910000000000   18.450000000000   23.640000000000
              88 H     15.420000000000   17.530000000000   24.130000000000
              89 H     14.900000000000   17.860000000000   22.560000000000
