-------------------------------------------------------------
----------------------- !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:    -1171.1913902009
# -----------------------------------------------------------
$ 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     6.1108     6.0000    -0.1108     3.8656     3.8656    -0.0000
  1   0     6.1345     6.0000    -0.1345     3.8889     3.8889    -0.0000
  2   0     6.1823     6.0000    -0.1823     3.9317     3.9317    -0.0000
  3   0     6.1527     6.0000    -0.1527     3.8704     3.8704     0.0000
  4   0     6.1997     6.0000    -0.1997     3.8733     3.8733     0.0000
  5   0     0.9819     1.0000     0.0181     0.9886     0.9886     0.0000
  6   0     0.9134     1.0000     0.0866     0.9755     0.9755     0.0000
  7   0     0.9168     1.0000     0.0832     0.9818     0.9818    -0.0000
  8   0     0.9238     1.0000     0.0762     0.9889     0.9889    -0.0000
  9   0     0.9165     1.0000     0.0835     0.9784     0.9784    -0.0000
 10   0     0.9129     1.0000     0.0871     0.9737     0.9737    -0.0000
 11   0     0.9139     1.0000     0.0861     0.9734     0.9734     0.0000
 12   0     0.9179     1.0000     0.0821     0.9778     0.9778    -0.0000
 13   0     0.9133     1.0000     0.0867     0.9749     0.9749     0.0000
 14   0     0.9084     1.0000     0.0916     0.9708     0.9708     0.0000
 15   0     6.1861     6.0000    -0.1861     3.8606     3.8606    -0.0000
 16   0     6.2571     6.0000    -0.2571     3.8500     3.8500    -0.0000
 17   0     6.1042     6.0000    -0.1042     3.8772     3.8772    -0.0000
 18   0     6.1629     6.0000    -0.1629     3.9193     3.9193    -0.0000
 19   0     6.1503     6.0000    -0.1503     3.8886     3.8886     0.0000
 20   0     0.9102     1.0000     0.0898     0.9727     0.9727    -0.0000
 21   0     0.8939     1.0000     0.1061     0.9705     0.9705     0.0000
 22   0     0.8840     1.0000     0.1160     0.9652     0.9652     0.0000
 23   0     0.8938     1.0000     0.1062     0.9661     0.9661     0.0000
 24   0     0.9528     1.0000     0.0472     0.9942     0.9942    -0.0000
 25   0     0.9072     1.0000     0.0928     0.9818     0.9818    -0.0000
 26   0     0.9186     1.0000     0.0814     0.9791     0.9791     0.0000
 27   0     0.9219     1.0000     0.0781     0.9781     0.9781    -0.0000
 28   0     0.9286     1.0000     0.0714     0.9889     0.9889     0.0000
 29   0     0.9102     1.0000     0.0898     0.9765     0.9765     0.0000
 30   0     6.1306     6.0000    -0.1306     3.9235     3.9235    -0.0000
 31   0     6.1772     6.0000    -0.1772     3.9144     3.9144    -0.0000
 32   0     6.1520     6.0000    -0.1520     3.9117     3.9117    -0.0000
 33   0     6.0876     6.0000    -0.0876     3.8450     3.8450     0.0000
 34   0     6.2234     6.0000    -0.2234     3.8863     3.8863     0.0000
 35   0     0.9245     1.0000     0.0755     0.9776     0.9776    -0.0000
 36   0     0.9227     1.0000     0.0773     0.9808     0.9808     0.0000
 37   0     0.9071     1.0000     0.0929     0.9694     0.9694     0.0000
 38   0     0.9317     1.0000     0.0683     0.9737     0.9737     0.0000
 39   0     0.9221     1.0000     0.0779     0.9789     0.9789    -0.0000
 40   0     0.8985     1.0000     0.1015     0.9684     0.9684    -0.0000
 41   0     0.9184     1.0000     0.0816     0.9757     0.9757    -0.0000
 42   0     0.9823     1.0000     0.0177     1.0057     1.0057    -0.0000
 43   0     0.9139     1.0000     0.0861     0.9740     0.9740    -0.0000
 44   0     0.9109     1.0000     0.0891     0.9723     0.9723     0.0000
 45   0     6.1866     6.0000    -0.1866     3.8846     3.8846    -0.0000
 46   0     6.1951     6.0000    -0.1951     3.8878     3.8878    -0.0000
 47   0     6.0608     6.0000    -0.0608     3.8228     3.8228    -0.0000
 48   0     6.1511     6.0000    -0.1511     3.8966     3.8966    -0.0000
 49   0     6.1571     6.0000    -0.1571     3.9401     3.9401    -0.0000
 50   0     0.9216     1.0000     0.0784     0.9765     0.9765    -0.0000
 51   0     0.9066     1.0000     0.0934     0.9723     0.9723    -0.0000
 52   0     0.9018     1.0000     0.0982     0.9733     0.9733     0.0000
 53   0     0.9270     1.0000     0.0730     0.9801     0.9801    -0.0000
 54   0     0.9235     1.0000     0.0765     0.9856     0.9856    -0.0000
 55   0     1.0330     1.0000    -0.0330     1.0584     1.0584    -0.0000
 56   0     0.9052     1.0000     0.0948     0.9735     0.9735    -0.0000
 57   0     0.9257     1.0000     0.0743     0.9760     0.9760     0.0000
 58   0     0.9096     1.0000     0.0904     0.9814     0.9814     0.0000
 59   0     0.9163     1.0000     0.0837     0.9762     0.9762    -0.0000
 60   0     6.1532     6.0000    -0.1532     3.9132     3.9132    -0.0000
 61   0     6.2092     6.0000    -0.2092     3.8872     3.8872    -0.0000
 62   0     6.1348     6.0000    -0.1348     3.8804     3.8804    -0.0000
 63   0     6.1814     6.0000    -0.1814     3.9092     3.9092     0.0000
 64   0     6.1612     6.0000    -0.1612     3.8879     3.8879    -0.0000
 65   0     0.9176     1.0000     0.0824     0.9771     0.9771    -0.0000
 66   0     0.9111     1.0000     0.0889     0.9752     0.9752    -0.0000
 67   0     0.8991     1.0000     0.1009     0.9669     0.9669    -0.0000
 68   0     0.9251     1.0000     0.0749     0.9754     0.9754    -0.0000
 69   0     0.9293     1.0000     0.0707     0.9772     0.9772    -0.0000
 70   0     0.9105     1.0000     0.0895     0.9758     0.9758    -0.0000
 71   0     0.9158     1.0000     0.0842     0.9710     0.9710     0.0000
 72   0     0.9256     1.0000     0.0744     0.9719     0.9719     0.0000
 73   0     0.9287     1.0000     0.0713     0.9741     0.9741    -0.0000
 74   0     0.8948     1.0000     0.1052     0.9696     0.9696    -0.0000
 75   0     6.1612     6.0000    -0.1612     3.8350     3.8350     0.0000
 76   0     6.1880     6.0000    -0.1880     3.8747     3.8747     0.0000
 77   0     6.1615     6.0000    -0.1615     3.8996     3.8996     0.0000
 78   0     6.1287     6.0000    -0.1287     3.8937     3.8937    -0.0000
 79   0     6.1836     6.0000    -0.1836     3.8986     3.8986    -0.0000
 80   0     0.9103     1.0000     0.0897     0.9720     0.9720     0.0000
 81   0     0.9274     1.0000     0.0726     0.9736     0.9736     0.0000
 82   0     0.9197     1.0000     0.0803     0.9717     0.9717     0.0000
 83   0     0.9174     1.0000     0.0826     0.9797     0.9797     0.0000
 84   0     0.9197     1.0000     0.0803     0.9833     0.9833    -0.0000
 85   0     0.9033     1.0000     0.0967     0.9758     0.9758     0.0000
 86   0     0.9066     1.0000     0.0934     0.9736     0.9736    -0.0000
 87   0     0.9290     1.0000     0.0710     0.9903     0.9903    -0.0000
 88   0     0.9168     1.0000     0.0832     0.9771     0.9771    -0.0000
 89   0     0.9252     1.0000     0.0748     0.9770     0.9770     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                0.954755
                0             6               4            6                0.966149
                0             6               5            1                0.997225
                0             6               6            1                0.988579
                1             6               2            6                0.983679
                1             6               7            1                0.999847
                1             6               8            1                0.994935
                2             6               3            6                0.973176
                2             6               9            1                0.993925
                2             6              10            1                0.991339
                3             6               4            6                0.955909
                3             6              11            1                0.992377
                3             6              12            1                0.997486
                4             6              13            1                0.993042
                4             6              14            1                0.993507
               15             6              16            6                0.931817
               15             6              19            6                0.970451
               15             6              20            1                0.991903
               15             6              21            1                0.981068
               16             6              17            6                0.964543
               16             6              22            1                0.999061
               16             6              23            1                0.987841
               17             6              18            6                0.974513
               17             6              24            1                1.002484
               17             6              25            1                0.986108
               18             6              19            6                0.980672
               18             6              26            1                0.995355
               18             6              27            1                0.983194
               19             6              28            1                0.993119
               19             6              29            1                0.995018
               30             6              31            6                0.989066
               30             6              34            6                0.966792
               30             6              35            1                1.001781
               30             6              36            1                0.993902
               31             6              32            6                0.969020
               31             6              37            1                0.994084
               31             6              38            1                0.999366
               32             6              33            6                0.966040
               32             6              39            1                0.991987
               32             6              40            1                0.995441
               33             6              34            6                0.949970
               33             6              41            1                0.988804
               33             6              42            1                0.996367
               34             6              43            1                0.999437
               34             6              44            1                0.999754
               45             6              46            6                0.961239
               45             6              49            6                0.985147
               45             6              50            1                0.996902
               45             6              51            1                0.984772
               46             6              47            6                0.947473
               46             6              52            1                0.984098
               46             6              53            1                1.002262
               47             6              48            6                0.941610
               47             6              54            1                0.988266
               47             6              55            1                1.010672
               48             6              49            6                0.995525
               48             6              56            1                0.984652
               48             6              57            1                0.993148
               49             6              58            1                0.984200
               49             6              59            1                0.990736
               60             6              61            6                0.968307
               60             6              64            6                0.979468
               60             6              65            1                0.992279
               60             6              66            1                0.991983
               61             6              62            6                0.963039
               61             6              67            1                0.984875
               61             6              68            1                0.996037
               62             6              63            6                0.979183
               62             6              69            1                0.992975
               62             6              70            1                0.983554
               63             6              64            6                0.964825
               63             6              71            1                0.999039
               63             6              72            1                0.991546
               64             6              73            1                0.999425
               64             6              74            1                0.979022
               75             6              76            6                0.950977
               75             6              79            6                0.958964
               75             6              80            1                0.984863
               75             6              81            1                0.993078
               76             6              77            6                0.969098
               76             6              82            1                0.996049
               76             6              83            1                0.989385
               77             6              78            6                0.975823
               77             6              84            1                0.992486
               77             6              85            1                0.984631
               78             6              79            6                0.970899
               78             6              86            1                0.983579
               78             6              87            1                0.993008
               79             6              88            1                0.992620
               79             6              89            1                0.994293
# -----------------------------------------------------------
$ 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     6.1182     6.0000    -0.1182     3.9739     3.6514     0.3225
  1   0     6.1420     6.0000    -0.1420     3.9977     3.6742     0.3235
  2   0     6.1901     6.0000    -0.1901     4.0411     3.7166     0.3245
  3   0     6.1602     6.0000    -0.1602     3.9798     3.6574     0.3224
  4   0     6.2072     6.0000    -0.2072     3.9873     3.6576     0.3297
  5   0     0.9783     1.0000     0.0217     1.0014     0.9437     0.0577
  6   0     0.9093     1.0000     0.0907     0.9847     0.9347     0.0500
  7   0     0.9127     1.0000     0.0873     0.9912     0.9418     0.0494
  8   0     0.9205     1.0000     0.0795     0.9990     0.9463     0.0527
  9   0     0.9127     1.0000     0.0873     0.9876     0.9363     0.0513
 10   0     0.9091     1.0000     0.0909     0.9829     0.9303     0.0526
 11   0     0.9102     1.0000     0.0898     0.9829     0.9294     0.0535
 12   0     0.9141     1.0000     0.0859     0.9871     0.9350     0.0521
 13   0     0.9094     1.0000     0.0906     0.9841     0.9307     0.0534
 14   0     0.9046     1.0000     0.0954     0.9802     0.9275     0.0527
 15   0     6.1947     6.0000    -0.1947     3.9794     3.6427     0.3367
 16   0     6.2662     6.0000    -0.2662     3.9754     3.6316     0.3438
 17   0     6.1126     6.0000    -0.1126     3.9862     3.6586     0.3276
 18   0     6.1712     6.0000    -0.1712     4.0298     3.7021     0.3277
 19   0     6.1587     6.0000    -0.1587     4.0009     3.6686     0.3323
 20   0     0.9057     1.0000     0.0943     0.9816     0.9297     0.0519
 21   0     0.8892     1.0000     0.1108     0.9786     0.9287     0.0499
 22   0     0.8796     1.0000     0.1204     0.9732     0.9226     0.0506
 23   0     0.8894     1.0000     0.1106     0.9746     0.9232     0.0514
 24   0     0.9495     1.0000     0.0505     1.0063     0.9523     0.0540
 25   0     0.9029     1.0000     0.0971     0.9907     0.9409     0.0498
 26   0     0.9143     1.0000     0.0857     0.9882     0.9365     0.0517
 27   0     0.9178     1.0000     0.0822     0.9877     0.9368     0.0509
 28   0     0.9244     1.0000     0.0756     0.9988     0.9435     0.0553
 29   0     0.9059     1.0000     0.0941     0.9855     0.9337     0.0518
 30   0     6.1383     6.0000    -0.1383     4.0279     3.7178     0.3101
 31   0     6.1856     6.0000    -0.1856     4.0230     3.7075     0.3155
 32   0     6.1613     6.0000    -0.1613     4.0230     3.6974     0.3256
 33   0     6.0936     6.0000    -0.0936     3.9488     3.6290     0.3198
 34   0     6.2313     6.0000    -0.2313     4.0016     3.6748     0.3268
 35   0     0.9206     1.0000     0.0794     0.9870     0.9372     0.0498
 36   0     0.9189     1.0000     0.0811     0.9904     0.9386     0.0518
 37   0     0.9031     1.0000     0.0969     0.9783     0.9274     0.0509
 38   0     0.9279     1.0000     0.0721     0.9838     0.9313     0.0525
 39   0     0.9178     1.0000     0.0822     0.9883     0.9358     0.0525
 40   0     0.8944     1.0000     0.1056     0.9770     0.9248     0.0522
 41   0     0.9140     1.0000     0.0860     0.9846     0.9326     0.0520
 42   0     0.9791     1.0000     0.0209     1.0185     0.9612     0.0573
 43   0     0.9098     1.0000     0.0902     0.9832     0.9340     0.0492
 44   0     0.9070     1.0000     0.0930     0.9816     0.9288     0.0528
 45   0     6.1947     6.0000    -0.1947     3.9971     3.6667     0.3304
 46   0     6.2034     6.0000    -0.2034     4.0028     3.6643     0.3385
 47   0     6.0672     6.0000    -0.0672     3.9274     3.6024     0.3250
 48   0     6.1591     6.0000    -0.1591     4.0056     3.6845     0.3211
 49   0     6.1645     6.0000    -0.1645     4.0466     3.7280     0.3186
 50   0     0.9177     1.0000     0.0823     0.9861     0.9359     0.0502
 51   0     0.9028     1.0000     0.0972     0.9815     0.9288     0.0527
 52   0     0.8979     1.0000     0.1021     0.9821     0.9291     0.0530
 53   0     0.9232     1.0000     0.0768     0.9900     0.9333     0.0567
 54   0     0.9192     1.0000     0.0808     0.9949     0.9415     0.0534
 55   0     1.0305     1.0000    -0.0305     1.0729     1.0119     0.0610
 56   0     0.9012     1.0000     0.0988     0.9826     0.9343     0.0483
 57   0     0.9217     1.0000     0.0783     0.9857     0.9311     0.0546
 58   0     0.9058     1.0000     0.0942     0.9904     0.9390     0.0514
 59   0     0.9124     1.0000     0.0876     0.9853     0.9344     0.0509
 60   0     6.1608     6.0000    -0.1608     4.0207     3.7018     0.3189
 61   0     6.2164     6.0000    -0.2164     3.9999     3.6705     0.3294
 62   0     6.1421     6.0000    -0.1421     3.9882     3.6698     0.3184
 63   0     6.1896     6.0000    -0.1896     4.0193     3.6981     0.3212
 64   0     6.1684     6.0000    -0.1684     3.9962     3.6747     0.3215
 65   0     0.9140     1.0000     0.0860     0.9867     0.9354     0.0513
 66   0     0.9073     1.0000     0.0927     0.9845     0.9347     0.0498
 67   0     0.8954     1.0000     0.1046     0.9759     0.9211     0.0548
 68   0     0.9213     1.0000     0.0787     0.9853     0.9314     0.0539
 69   0     0.9255     1.0000     0.0745     0.9873     0.9337     0.0536
 70   0     0.9066     1.0000     0.0934     0.9849     0.9333     0.0516
 71   0     0.9119     1.0000     0.0881     0.9802     0.9292     0.0510
 72   0     0.9219     1.0000     0.0781     0.9820     0.9283     0.0537
 73   0     0.9249     1.0000     0.0751     0.9840     0.9293     0.0547
 74   0     0.8911     1.0000     0.1089     0.9782     0.9252     0.0530
 75   0     6.1691     6.0000    -0.1691     3.9468     3.6222     0.3246
 76   0     6.1957     6.0000    -0.1957     3.9860     3.6600     0.3260
 77   0     6.1687     6.0000    -0.1687     4.0086     3.6842     0.3244
 78   0     6.1362     6.0000    -0.1362     4.0005     3.6856     0.3149
 79   0     6.1916     6.0000    -0.1916     4.0092     3.6825     0.3267
 80   0     0.9064     1.0000     0.0936     0.9813     0.9295     0.0518
 81   0     0.9233     1.0000     0.0767     0.9835     0.9283     0.0552
 82   0     0.9159     1.0000     0.0841     0.9813     0.9277     0.0536
 83   0     0.9136     1.0000     0.0864     0.9891     0.9372     0.0519
 84   0     0.9158     1.0000     0.0842     0.9927     0.9401     0.0526
 85   0     0.8997     1.0000     0.1003     0.9852     0.9337     0.0515
 86   0     0.9026     1.0000     0.0974     0.9825     0.9322     0.0503
 87   0     0.9252     1.0000     0.0748     1.0000     0.9483     0.0517
 88   0     0.9127     1.0000     0.0873     0.9863     0.9348     0.0515
 89   0     0.9216     1.0000     0.0784     0.9872     0.9327     0.0545
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.891122
                0             6               4            6                0.902964
                0             6               5            1                0.953191
                0             6               6            1                0.948935
                1             6               2            6                0.916163
                1             6               7            1                0.960914
                1             6               8            1                0.953130
                2             6               3            6                0.912049
                2             6               9            1                0.953226
                2             6              10            1                0.949324
                3             6               4            6                0.891294
                3             6              11            1                0.949758
                3             6              12            1                0.955894
                4             6              13            1                0.950265
                4             6              14            1                0.951341
               15             6              16            6                0.868165
               15             6              19            6                0.903393
               15             6              20            1                0.949896
               15             6              21            1                0.940605
               16             6              17            6                0.896753
               16             6              22            1                0.957074
               16             6              23            1                0.946113
               17             6              18            6                0.907241
               17             6              24            1                0.961340
               17             6              25            1                0.946641
               18             6              19            6                0.915781
               18             6              26            1                0.953787
               18             6              27            1                0.943540
               19             6              28            1                0.949062
               19             6              29            1                0.953261
               30             6              31            6                0.929713
               30             6              34            6                0.903470
               30             6              35            1                0.962250
               30             6              36            1                0.953231
               31             6              32            6                0.906649
               31             6              37            1                0.953385
               31             6              38            1                0.957929
               32             6              33            6                0.902499
               32             6              39            1                0.950114
               32             6              40            1                0.952551
               33             6              34            6                0.886392
               33             6              41            1                0.946793
               33             6              42            1                0.952557
               34             6              43            1                0.960440
               34             6              44            1                0.956867
               45             6              46            6                0.892892
               45             6              49            6                0.919870
               45             6              50            1                0.957372
               45             6              51            1                0.942888
               46             6              47            6                0.884150
               46             6              52            1                0.941510
               46             6              53            1                0.956638
               47             6              48            6                0.876285
               47             6              54            1                0.945338
               47             6              55            1                0.965403
               48             6              49            6                0.933843
               48             6              56            1                0.947025
               48             6              57            1                0.949554
               49             6              58            1                0.943477
               49             6              59            1                0.950146
               60             6              61            6                0.902799
               60             6              64            6                0.917110
               60             6              65            1                0.951800
               60             6              66            1                0.952721
               61             6              62            6                0.902727
               61             6              67            1                0.940536
               61             6              68            1                0.953156
               62             6              63            6                0.915579
               62             6              69            1                0.950636
               62             6              70            1                0.942667
               63             6              64            6                0.903664
               63             6              71            1                0.958333
               63             6              72            1                0.949233
               64             6              73            1                0.955646
               64             6              74            1                0.936398
               75             6              76            6                0.891247
               75             6              79            6                0.893474
               75             6              80            1                0.943948
               75             6              81            1                0.948908
               76             6              77            6                0.901223
               76             6              82            1                0.953209
               76             6              83            1                0.948491
               77             6              78            6                0.914933
               77             6              84            1                0.950684
               77             6              85            1                0.944023
               78             6              79            6                0.908138
               78             6              86            1                0.943639
               78             6              87            1                0.952522
               79             6              88            1                0.951681
               79             6              89            1                0.951227
# -----------------------------------------------------------
$ 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     6.1838     6.0000    -0.1838     3.9748     3.6567     0.3181
  1   0     6.1927     6.0000    -0.1927     3.9833     3.6640     0.3193
  2   0     6.2375     6.0000    -0.2375     4.0227     3.7022     0.3205
  3   0     6.2118     6.0000    -0.2118     3.9703     3.6521     0.3182
  4   0     6.2446     6.0000    -0.2446     3.9644     3.6392     0.3252
  5   0     0.9459     1.0000     0.0541     1.0000     0.9440     0.0560
  6   0     0.8856     1.0000     0.1144     0.9764     0.9275     0.0489
  7   0     0.8905     1.0000     0.1095     0.9836     0.9353     0.0483
  8   0     0.8923     1.0000     0.1077     0.9925     0.9411     0.0514
  9   0     0.8877     1.0000     0.1123     0.9781     0.9279     0.0502
 10   0     0.8863     1.0000     0.1137     0.9755     0.9239     0.0516
 11   0     0.8874     1.0000     0.1126     0.9743     0.9218     0.0525
 12   0     0.8883     1.0000     0.1117     0.9777     0.9267     0.0510
 13   0     0.8840     1.0000     0.1160     0.9748     0.9226     0.0522
 14   0     0.8800     1.0000     0.1200     0.9732     0.9217     0.0515
 15   0     6.2561     6.0000    -0.2561     3.9807     3.6487     0.3320
 16   0     6.3021     6.0000    -0.3021     3.9445     3.6056     0.3389
 17   0     6.1722     6.0000    -0.1722     3.9608     3.6377     0.3231
 18   0     6.2224     6.0000    -0.2224     3.9954     3.6720     0.3234
 19   0     6.2044     6.0000    -0.2044     3.9682     3.6405     0.3277
 20   0     0.8798     1.0000     0.1202     0.9746     0.9240     0.0506
 21   0     0.8672     1.0000     0.1328     0.9771     0.9285     0.0486
 22   0     0.8549     1.0000     0.1451     0.9645     0.9154     0.0491
 23   0     0.8671     1.0000     0.1329     0.9699     0.9198     0.0501
 24   0     0.9178     1.0000     0.0822     1.0039     0.9513     0.0526
 25   0     0.8823     1.0000     0.1177     0.9865     0.9379     0.0486
 26   0     0.8874     1.0000     0.1126     0.9814     0.9310     0.0504
 27   0     0.8931     1.0000     0.1069     0.9851     0.9354     0.0497
 28   0     0.8990     1.0000     0.1010     0.9954     0.9415     0.0539
 29   0     0.8820     1.0000     0.1180     0.9782     0.9276     0.0506
 30   0     6.1894     6.0000    -0.1894     3.9974     3.6910     0.3064
 31   0     6.2389     6.0000    -0.2389     4.0018     3.6905     0.3113
 32   0     6.2170     6.0000    -0.2170     4.0053     3.6841     0.3212
 33   0     6.1531     6.0000    -0.1531     3.9364     3.6212     0.3152
 34   0     6.2828     6.0000    -0.2828     3.9868     3.6643     0.3225
 35   0     0.8936     1.0000     0.1064     0.9797     0.9311     0.0486
 36   0     0.8933     1.0000     0.1067     0.9812     0.9305     0.0507
 37   0     0.8801     1.0000     0.1199     0.9713     0.9215     0.0498
 38   0     0.8983     1.0000     0.1017     0.9763     0.9251     0.0512
 39   0     0.8963     1.0000     0.1037     0.9805     0.9290     0.0515
 40   0     0.8643     1.0000     0.1357     0.9692     0.9184     0.0508
 41   0     0.8879     1.0000     0.1121     0.9753     0.9245     0.0508
 42   0     0.9457     1.0000     0.0543     1.0157     0.9599     0.0558
 43   0     0.8828     1.0000     0.1172     0.9721     0.9240     0.0481
 44   0     0.8783     1.0000     0.1217     0.9724     0.9209     0.0515
 45   0     6.2416     6.0000    -0.2416     3.9800     3.6538     0.3262
 46   0     6.2394     6.0000    -0.2394     3.9844     3.6507     0.3337
 47   0     6.1449     6.0000    -0.1449     3.9425     3.6219     0.3206
 48   0     6.2053     6.0000    -0.2053     3.9858     3.6690     0.3168
 49   0     6.2070     6.0000    -0.2070     4.0175     3.7032     0.3143
 50   0     0.8914     1.0000     0.1086     0.9797     0.9307     0.0490
 51   0     0.8822     1.0000     0.1178     0.9749     0.9232     0.0517
 52   0     0.8775     1.0000     0.1225     0.9748     0.9228     0.0520
 53   0     0.8990     1.0000     0.1010     0.9838     0.9283     0.0555
 54   0     0.8927     1.0000     0.1073     0.9858     0.9337     0.0521
 55   0     0.9866     1.0000     0.0134     1.0577     0.9984     0.0593
 56   0     0.8812     1.0000     0.1188     0.9777     0.9303     0.0474
 57   0     0.8953     1.0000     0.1047     0.9783     0.9249     0.0534
 58   0     0.8840     1.0000     0.1160     0.9833     0.9328     0.0505
 59   0     0.8901     1.0000     0.1099     0.9800     0.9300     0.0500
 60   0     6.2175     6.0000    -0.2175     4.0135     3.6983     0.3152
 61   0     6.2564     6.0000    -0.2564     3.9894     3.6646     0.3248
 62   0     6.1998     6.0000    -0.1998     3.9817     3.6674     0.3143
 63   0     6.2395     6.0000    -0.2395     3.9957     3.6785     0.3172
 64   0     6.2142     6.0000    -0.2142     3.9861     3.6689     0.3172
 65   0     0.8885     1.0000     0.1115     0.9769     0.9266     0.0503
 66   0     0.8831     1.0000     0.1169     0.9757     0.9269     0.0488
 67   0     0.8737     1.0000     0.1263     0.9693     0.9155     0.0538
 68   0     0.8950     1.0000     0.1050     0.9758     0.9230     0.0528
 69   0     0.8989     1.0000     0.1011     0.9771     0.9246     0.0525
 70   0     0.8804     1.0000     0.1196     0.9782     0.9278     0.0504
 71   0     0.8847     1.0000     0.1153     0.9703     0.9205     0.0498
 72   0     0.8953     1.0000     0.1047     0.9730     0.9203     0.0527
 73   0     0.8986     1.0000     0.1014     0.9739     0.9202     0.0537
 74   0     0.8714     1.0000     0.1286     0.9720     0.9199     0.0521
 75   0     6.2153     6.0000    -0.2153     3.9263     3.6063     0.3200
 76   0     6.2443     6.0000    -0.2443     3.9649     3.6431     0.3218
 77   0     6.2118     6.0000    -0.2118     3.9852     3.6651     0.3201
 78   0     6.1946     6.0000    -0.1946     3.9928     3.6822     0.3106
 79   0     6.2389     6.0000    -0.2389     3.9778     3.6552     0.3226
 80   0     0.8841     1.0000     0.1159     0.9783     0.9276     0.0507
 81   0     0.8987     1.0000     0.1013     0.9756     0.9215     0.0541
 82   0     0.8911     1.0000     0.1089     0.9739     0.9213     0.0526
 83   0     0.8881     1.0000     0.1119     0.9811     0.9303     0.0508
 84   0     0.8921     1.0000     0.1079     0.9842     0.9327     0.0515
 85   0     0.8790     1.0000     0.1210     0.9815     0.9311     0.0504
 86   0     0.8821     1.0000     0.1179     0.9765     0.9271     0.0494
 87   0     0.8946     1.0000     0.1054     0.9918     0.9414     0.0504
 88   0     0.8890     1.0000     0.1110     0.9785     0.9280     0.0505
 89   0     0.8932     1.0000     0.1068     0.9819     0.9288     0.0531
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.902702
                0             6               4            6                0.911153
                0             6               5            1                0.938572
                0             6               6            1                0.936555
                1             6               2            6                0.920519
                1             6               7            1                0.947819
                1             6               8            1                0.939844
                2             6               3            6                0.922956
                2             6               9            1                0.939953
                2             6              10            1                0.935611
                3             6               4            6                0.902858
                3             6              11            1                0.933306
                3             6              12            1                0.943135
                4             6              13            1                0.934341
                4             6              14            1                0.937874
               15             6              16            6                0.880843
               15             6              19            6                0.907550
               15             6              20            1                0.934817
               15             6              21            1                0.927934
               16             6              17            6                0.893969
               16             6              22            1                0.941324
               16             6              23            1                0.931730
               17             6              18            6                0.907366
               17             6              24            1                0.953735
               17             6              25            1                0.932597
               18             6              19            6                0.918097
               18             6              26            1                0.939994
               18             6              27            1                0.933089
               19             6              28            1                0.932883
               19             6              29            1                0.940158
               30             6              31            6                0.933943
               30             6              34            6                0.908738
               30             6              35            1                0.951085
               30             6              36            1                0.936764
               31             6              32            6                0.914380
               31             6              37            1                0.938248
               31             6              38            1                0.945109
               32             6              33            6                0.910770
               32             6              39            1                0.933581
               32             6              40            1                0.938526
               33             6              34            6                0.895277
               33             6              41            1                0.933184
               33             6              42            1                0.939223
               34             6              43            1                0.945923
               34             6              44            1                0.942333
               45             6              46            6                0.899900
               45             6              49            6                0.922838
               45             6              50            1                0.948367
               45             6              51            1                0.928612
               46             6              47            6                0.902107
               46             6              52            1                0.927682
               46             6              53            1                0.938901
               47             6              48            6                0.889415
               47             6              54            1                0.929255
               47             6              55            1                0.956383
               48             6              49            6                0.941249
               48             6              56            1                0.935933
               48             6              57            1                0.934211
               49             6              58            1                0.931675
               49             6              59            1                0.937599
               60             6              61            6                0.908939
               60             6              64            6                0.930164
               60             6              65            1                0.939089
               60             6              66            1                0.941900
               61             6              62            6                0.917021
               61             6              67            1                0.925669
               61             6              68            1                0.939965
               62             6              63            6                0.921828
               62             6              69            1                0.938015
               62             6              70            1                0.931004
               63             6              64            6                0.912626
               63             6              71            1                0.944778
               63             6              72            1                0.934055
               64             6              73            1                0.941458
               64             6              74            1                0.923606
               75             6              76            6                0.899807
               75             6              79            6                0.896601
               75             6              80            1                0.933794
               75             6              81            1                0.935215
               76             6              77            6                0.904359
               76             6              82            1                0.940726
               76             6              83            1                0.936422
               77             6              78            6                0.926856
               77             6              84            1                0.937847
               77             6              85            1                0.932461
               78             6              79            6                0.913812
               78             6              86            1                0.932050
               78             6              87            1                0.941599
               79             6              88            1                0.937926
               79             6              89            1                0.939521
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1913902009
        Correlation Energy:       -5.0805758593
        Total MP2 Energy:      -1176.2719660601
# -----------------------------------------------------------
$ 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) :        0.2778548022
        Electronic Contribution:
                  0    
      0      -0.239595
      1       0.044447
      2      -0.163480
        Nuclear Contribution:
                  0    
      0       0.329369
      1      -0.080334
      2       0.112467
        Total Dipole moment:
                  0    
      0       0.089774
      1      -0.035887
      2      -0.051013
# -----------------------------------------------------------
$ 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) :        0.2779550324
        Electronic Contribution:
                  0    
      0      -0.239124
      1       0.044744
      2      -0.162940
        Nuclear Contribution:
                  0    
      0       0.329369
      1      -0.080334
      2       0.112467
        Total Dipole moment:
                  0    
      0       0.090245
      1      -0.035590
      2      -0.050473
# -----------------------------------------------------------
$ 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) :        0.2527105172
        Electronic Contribution:
                  0    
      0      -0.239897
      1       0.050053
      2      -0.143494
        Nuclear Contribution:
                  0    
      0       0.329369
      1      -0.080334
      2       0.112467
        Total Dipole moment:
                  0    
      0       0.089472
      1      -0.030281
      2      -0.031026
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     20.420000000000   20.160000000000   18.300000000000
               1 C     21.810000000000   19.450000000000   18.270000000000
               2 C     22.770000000000   20.110000000000   19.380000000000
               3 C     21.960000000000   21.220000000000   20.030000000000
               4 C     20.460000000000   21.100000000000   19.530000000000
               5 H     19.590000000000   19.460000000000   18.390000000000
               6 H     20.310000000000   20.650000000000   17.360000000000
               7 H     22.250000000000   19.620000000000   17.330000000000
               8 H     21.750000000000   18.400000000000   18.520000000000
               9 H     23.660000000000   20.520000000000   18.920000000000
              10 H     23.120000000000   19.410000000000   20.170000000000
              11 H     22.310000000000   22.260000000000   19.820000000000
              12 H     21.980000000000   21.160000000000   21.120000000000
              13 H     19.950000000000   22.040000000000   19.230000000000
              14 H     19.860000000000   20.780000000000   20.390000000000
              15 C     16.010000000000   17.640000000000   18.250000000000
              16 C     16.170000000000   18.550000000000   19.520000000000
              17 C     16.800000000000   19.950000000000   19.070000000000
              18 C     16.580000000000   20.090000000000   17.530000000000
              19 C     16.290000000000   18.650000000000   17.050000000000
              20 H     14.980000000000   17.320000000000   18.090000000000
              21 H     16.600000000000   16.730000000000   18.300000000000
              22 H     16.830000000000   18.300000000000   20.340000000000
              23 H     15.210000000000   18.670000000000   20.030000000000
              24 H     17.850000000000   19.890000000000   19.140000000000
              25 H     16.320000000000   20.790000000000   19.520000000000
              26 H     17.560000000000   20.360000000000   17.150000000000
              27 H     15.790000000000   20.790000000000   17.340000000000
              28 H     17.220000000000   18.320000000000   16.510000000000
              29 H     15.440000000000   18.710000000000   16.370000000000
              30 C     19.720000000000   14.820000000000   18.680000000000
              31 C     18.530000000000   14.600000000000   19.520000000000
              32 C     18.220000000000   15.860000000000   20.300000000000
              33 C     19.200000000000   16.960000000000   19.840000000000
              34 C     20.260000000000   16.250000000000   18.970000000000
              35 H     19.450000000000   14.750000000000   17.670000000000
              36 H     20.450000000000   14.030000000000   18.840000000000
              37 H     18.540000000000   13.690000000000   20.130000000000
              38 H     17.690000000000   14.420000000000   18.890000000000
              39 H     18.480000000000   15.520000000000   21.310000000000
              40 H     17.180000000000   16.250000000000   20.220000000000
              41 H     19.700000000000   17.360000000000   20.730000000000
              42 H     18.850000000000   17.760000000000   19.210000000000
              43 H     21.170000000000   16.190000000000   19.480000000000
              44 H     20.520000000000   16.710000000000   18.000000000000
              45 C     12.590000000000   21.810000000000   17.530000000000
              46 C     13.010000000000   21.000000000000   18.840000000000
              47 C     12.850000000000   19.500000000000   18.430000000000
              48 C     11.870000000000   19.460000000000   17.200000000000
              49 C     12.000000000000   20.790000000000   16.480000000000
              50 H     13.500000000000   22.210000000000   17.200000000000
              51 H     11.880000000000   22.620000000000   17.830000000000
              52 H     12.420000000000   21.400000000000   19.710000000000
              53 H     14.070000000000   21.370000000000   19.000000000000
              54 H     12.510000000000   18.810000000000   19.230000000000
              55 H     13.790000000000   19.070000000000   18.140000000000
              56 H     10.900000000000   19.240000000000   17.540000000000
              57 H     12.350000000000   18.660000000000   16.580000000000
              58 H     11.010000000000   21.150000000000   16.150000000000
              59 H     12.760000000000   20.660000000000   15.720000000000
              60 C     18.950000000000   17.770000000000   12.510000000000
              61 C     19.300000000000   17.920000000000   14.060000000000
              62 C     20.810000000000   17.900000000000   14.150000000000
              63 C     21.390000000000   18.100000000000   12.720000000000
              64 C     20.270000000000   17.870000000000   11.720000000000
              65 H     18.270000000000   18.540000000000   12.190000000000
              66 H     18.390000000000   16.880000000000   12.370000000000
              67 H     18.750000000000   17.220000000000   14.790000000000
              68 H     18.950000000000   18.900000000000   14.420000000000
              69 H     21.120000000000   16.880000000000   14.410000000000
              70 H     21.310000000000   18.570000000000   14.860000000000
              71 H     22.240000000000   17.480000000000   12.520000000000
              72 H     21.900000000000   19.070000000000   12.570000000000
              73 H     20.450000000000   16.840000000000   11.340000000000
              74 H     20.360000000000   18.540000000000   10.800000000000
              75 C     11.380000000000   15.870000000000   20.450000000000
              76 C     12.120000000000   15.670000000000   21.730000000000
              77 C     13.580000000000   15.140000000000   21.320000000000
              78 C     13.520000000000   14.660000000000   19.870000000000
              79 C     12.230000000000   15.240000000000   19.280000000000
              80 H     11.090000000000   16.900000000000   20.210000000000
              81 H     10.470000000000   15.210000000000   20.550000000000
              82 H     11.570000000000   14.900000000000   22.330000000000
              83 H     12.110000000000   16.610000000000   22.280000000000
              84 H     13.700000000000   14.310000000000   22.030000000000
              85 H     14.220000000000   16.000000000000   21.510000000000
              86 H     13.500000000000   13.570000000000   19.780000000000
              87 H     14.280000000000   15.110000000000   19.270000000000
              88 H     11.640000000000   14.470000000000   18.780000000000
              89 H     12.430000000000   16.070000000000   18.570000000000
