-------------------------------------------------------------
----------------------- !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:    -1171.1848603639
# -----------------------------------------------------------
$ 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     6.1438     6.0000    -0.1438     3.8901     3.8901    -0.0000
  1   0     6.1882     6.0000    -0.1882     3.9168     3.9168     0.0000
  2   0     6.1225     6.0000    -0.1225     3.8927     3.8927    -0.0000
  3   0     6.0763     6.0000    -0.0763     3.8731     3.8731    -0.0000
  4   0     6.1985     6.0000    -0.1985     3.9023     3.9023     0.0000
  5   0     0.9378     1.0000     0.0622     0.9820     0.9820     0.0000
  6   0     0.9058     1.0000     0.0942     0.9773     0.9773    -0.0000
  7   0     0.9098     1.0000     0.0902     0.9737     0.9737     0.0000
  8   0     0.9200     1.0000     0.0800     0.9783     0.9783     0.0000
  9   0     0.9123     1.0000     0.0877     0.9793     0.9793    -0.0000
 10   0     0.9152     1.0000     0.0848     0.9799     0.9799    -0.0000
 11   0     0.9372     1.0000     0.0628     0.9997     0.9997    -0.0000
 12   0     0.9914     1.0000     0.0086     1.0261     1.0261    -0.0000
 13   0     0.9298     1.0000     0.0702     0.9765     0.9765    -0.0000
 14   0     0.9152     1.0000     0.0848     0.9712     0.9712     0.0000
 15   0     6.1997     6.0000    -0.1997     3.9029     3.9029     0.0000
 16   0     6.1701     6.0000    -0.1701     3.8797     3.8797    -0.0000
 17   0     6.1738     6.0000    -0.1738     3.8868     3.8868     0.0000
 18   0     6.1485     6.0000    -0.1485     3.9239     3.9239    -0.0000
 19   0     6.0924     6.0000    -0.0924     3.8760     3.8760    -0.0000
 20   0     0.9144     1.0000     0.0856     0.9765     0.9765     0.0000
 21   0     0.9193     1.0000     0.0807     0.9866     0.9866     0.0000
 22   0     0.9083     1.0000     0.0917     0.9747     0.9747    -0.0000
 23   0     0.9346     1.0000     0.0654     0.9893     0.9893    -0.0000
 24   0     0.9126     1.0000     0.0874     0.9733     0.9733    -0.0000
 25   0     0.9234     1.0000     0.0766     0.9707     0.9707     0.0000
 26   0     0.9265     1.0000     0.0735     0.9824     0.9824     0.0000
 27   0     0.9245     1.0000     0.0755     0.9725     0.9725    -0.0000
 28   0     0.9305     1.0000     0.0695     0.9826     0.9826    -0.0000
 29   0     0.9239     1.0000     0.0761     0.9800     0.9800    -0.0000
 30   0     6.1875     6.0000    -0.1875     3.8708     3.8708    -0.0000
 31   0     6.1800     6.0000    -0.1800     3.8617     3.8617    -0.0000
 32   0     6.1372     6.0000    -0.1372     3.9102     3.9102     0.0000
 33   0     6.1297     6.0000    -0.1297     3.8816     3.8816    -0.0000
 34   0     6.1924     6.0000    -0.1924     3.8697     3.8697    -0.0000
 35   0     0.9132     1.0000     0.0868     0.9721     0.9721     0.0000
 36   0     0.9130     1.0000     0.0870     0.9761     0.9761     0.0000
 37   0     0.9145     1.0000     0.0855     0.9729     0.9729    -0.0000
 38   0     0.9200     1.0000     0.0800     0.9700     0.9700    -0.0000
 39   0     0.9042     1.0000     0.0958     0.9769     0.9769    -0.0000
 40   0     0.9162     1.0000     0.0838     0.9784     0.9784     0.0000
 41   0     0.9482     1.0000     0.0518     0.9981     0.9981    -0.0000
 42   0     0.9152     1.0000     0.0848     0.9686     0.9686     0.0000
 43   0     0.9048     1.0000     0.0952     0.9722     0.9722     0.0000
 44   0     0.9235     1.0000     0.0765     0.9762     0.9762     0.0000
 45   0     6.1908     6.0000    -0.1908     3.8459     3.8459    -0.0000
 46   0     6.1686     6.0000    -0.1686     3.8909     3.8909    -0.0000
 47   0     6.1512     6.0000    -0.1512     3.8708     3.8708    -0.0000
 48   0     6.1890     6.0000    -0.1890     3.9246     3.9246     0.0000
 49   0     6.1282     6.0000    -0.1282     3.8745     3.8745     0.0000
 50   0     0.9338     1.0000     0.0662     0.9746     0.9746    -0.0000
 51   0     0.9052     1.0000     0.0948     0.9715     0.9715     0.0000
 52   0     0.9241     1.0000     0.0759     0.9808     0.9808    -0.0000
 53   0     0.8989     1.0000     0.1011     0.9677     0.9677    -0.0000
 54   0     0.9030     1.0000     0.0970     0.9704     0.9704    -0.0000
 55   0     0.9191     1.0000     0.0809     0.9776     0.9776    -0.0000
 56   0     0.9090     1.0000     0.0910     0.9801     0.9801     0.0000
 57   0     0.9181     1.0000     0.0819     0.9741     0.9741     0.0000
 58   0     0.9353     1.0000     0.0647     0.9835     0.9835     0.0000
 59   0     0.9173     1.0000     0.0827     0.9759     0.9759    -0.0000
 60   0     6.1472     6.0000    -0.1472     3.8883     3.8883    -0.0000
 61   0     6.1634     6.0000    -0.1634     3.9235     3.9235     0.0000
 62   0     6.1663     6.0000    -0.1663     3.9125     3.9125    -0.0000
 63   0     6.1362     6.0000    -0.1362     3.9023     3.9023    -0.0000
 64   0     6.1628     6.0000    -0.1628     3.8650     3.8650    -0.0000
 65   0     0.9165     1.0000     0.0835     0.9742     0.9742    -0.0000
 66   0     0.9200     1.0000     0.0800     0.9697     0.9697    -0.0000
 67   0     0.9244     1.0000     0.0756     0.9757     0.9757    -0.0000
 68   0     0.9126     1.0000     0.0874     0.9742     0.9742     0.0000
 69   0     0.9215     1.0000     0.0785     0.9726     0.9726    -0.0000
 70   0     0.9078     1.0000     0.0922     0.9764     0.9764    -0.0000
 71   0     0.9298     1.0000     0.0702     0.9810     0.9810     0.0000
 72   0     0.9225     1.0000     0.0775     0.9829     0.9829    -0.0000
 73   0     0.9257     1.0000     0.0743     0.9711     0.9711    -0.0000
 74   0     0.9483     1.0000     0.0517     0.9909     0.9909    -0.0000
 75   0     6.1841     6.0000    -0.1841     3.9084     3.9084    -0.0000
 76   0     6.1220     6.0000    -0.1220     3.8163     3.8163     0.0000
 77   0     6.1929     6.0000    -0.1929     3.8664     3.8664     0.0000
 78   0     6.1566     6.0000    -0.1566     3.8658     3.8658     0.0000
 79   0     6.1886     6.0000    -0.1886     3.8970     3.8970    -0.0000
 80   0     0.9118     1.0000     0.0882     0.9799     0.9799    -0.0000
 81   0     0.9084     1.0000     0.0916     0.9728     0.9728    -0.0000
 82   0     0.9512     1.0000     0.0488     0.9932     0.9932    -0.0000
 83   0     0.9125     1.0000     0.0875     0.9748     0.9748    -0.0000
 84   0     0.9208     1.0000     0.0792     0.9725     0.9725     0.0000
 85   0     0.9133     1.0000     0.0867     0.9709     0.9709     0.0000
 86   0     0.9042     1.0000     0.0958     0.9691     0.9691     0.0000
 87   0     0.9154     1.0000     0.0846     0.9779     0.9779     0.0000
 88   0     0.9007     1.0000     0.0993     0.9817     0.9817    -0.0000
 89   0     0.9151     1.0000     0.0849     0.9719     0.9719    -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                0.964523
                0             6               4            6                0.967552
                0             6               5            1                1.006313
                0             6               6            1                0.986782
                1             6               2            6                0.981495
                1             6               7            1                0.985373
                1             6               8            1                1.004245
                2             6               3            6                0.958422
                2             6               9            1                0.986737
                2             6              10            1                0.988497
                3             6               4            6                0.961615
                3             6              11            1                1.006941
                3             6              12            1                0.998586
                4             6              13            1                0.995166
                4             6              14            1                0.998729
               15             6              16            6                0.974045
               15             6              19            6                0.974175
               15             6              20            1                0.983729
               15             6              21            1                0.987027
               16             6              17            6                0.963720
               16             6              22            1                0.983483
               16             6              23            1                0.994308
               17             6              18            6                0.976491
               17             6              24            1                0.990833
               17             6              25            1                0.997930
               18             6              19            6                0.971778
               18             6              26            1                0.993496
               18             6              27            1                0.990535
               19             6              28            1                0.999606
               19             6              29            1                0.986700
               30             6              31            6                0.957838
               30             6              34            6                0.962182
               30             6              35            1                0.993860
               30             6              36            1                0.988750
               31             6              32            6                0.964529
               31             6              37            1                0.989607
               31             6              38            1                1.000026
               32             6              33            6                0.972571
               32             6              39            1                0.987138
               32             6              40            1                0.998348
               33             6              34            6                0.954056
               33             6              41            1                1.000136
               33             6              42            1                0.993447
               34             6              43            1                0.988082
               34             6              44            1                0.998801
               45             6              46            6                0.959394
               45             6              49            6                0.949503
               45             6              50            1                0.996815
               45             6              51            1                0.986974
               46             6              47            6                0.970555
               46             6              52            1                0.998131
               46             6              53            1                0.978477
               47             6              48            6                0.974352
               47             6              54            1                0.984581
               47             6              55            1                0.992757
               48             6              49            6                0.981688
               48             6              56            1                0.986911
               48             6              57            1                0.992812
               49             6              58            1                0.995249
               49             6              59            1                0.992967
               60             6              61            6                0.985545
               60             6              64            6                0.952140
               60             6              65            1                0.990249
               60             6              66            1                0.999379
               61             6              62            6                0.973353
               61             6              67            1                0.998725
               61             6              68            1                0.987522
               62             6              63            6                0.977922
               62             6              69            1                1.001793
               62             6              70            1                0.993792
               63             6              64            6                0.971354
               63             6              71            1                0.986715
               63             6              72            1                0.991171
               64             6              73            1                0.996484
               64             6              74            1                0.993898
               75             6              76            6                0.958175
               75             6              79            6                0.968883
               75             6              80            1                0.995393
               75             6              81            1                0.996337
               76             6              77            6                0.935721
               76             6              82            1                0.998467
               76             6              83            1                0.991742
               77             6              78            6                0.966252
               77             6              84            1                1.003740
               77             6              85            1                0.987290
               78             6              79            6                0.966889
               78             6              86            1                0.983724
               78             6              87            1                0.994021
               79             6              88            1                0.987187
               79             6              89            1                0.997237
# -----------------------------------------------------------
$ 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     6.1514     6.0000    -0.1514     3.9975     3.6813     0.3162
  1   0     6.1957     6.0000    -0.1957     4.0262     3.7035     0.3227
  2   0     6.1304     6.0000    -0.1304     4.0003     3.6813     0.3190
  3   0     6.0832     6.0000    -0.0832     3.9772     3.6603     0.3169
  4   0     6.2072     6.0000    -0.2072     4.0154     3.6884     0.3270
  5   0     0.9340     1.0000     0.0660     0.9922     0.9375     0.0547
  6   0     0.9019     1.0000     0.0981     0.9861     0.9356     0.0505
  7   0     0.9060     1.0000     0.0940     0.9830     0.9278     0.0552
  8   0     0.9165     1.0000     0.0835     0.9884     0.9383     0.0501
  9   0     0.9085     1.0000     0.0915     0.9887     0.9371     0.0516
 10   0     0.9111     1.0000     0.0889     0.9888     0.9396     0.0492
 11   0     0.9335     1.0000     0.0665     1.0099     0.9585     0.0514
 12   0     0.9875     1.0000     0.0125     1.0381     0.9808     0.0573
 13   0     0.9255     1.0000     0.0745     0.9862     0.9320     0.0542
 14   0     0.9112     1.0000     0.0888     0.9804     0.9285     0.0519
 15   0     6.2073     6.0000    -0.2073     4.0157     3.6818     0.3339
 16   0     6.1773     6.0000    -0.1773     3.9895     3.6628     0.3267
 17   0     6.1817     6.0000    -0.1817     3.9965     3.6755     0.3210
 18   0     6.1564     6.0000    -0.1564     4.0281     3.7194     0.3087
 19   0     6.1004     6.0000    -0.1004     3.9809     3.6709     0.3100
 20   0     0.9105     1.0000     0.0895     0.9859     0.9338     0.0521
 21   0     0.9154     1.0000     0.0846     0.9960     0.9418     0.0542
 22   0     0.9046     1.0000     0.0954     0.9839     0.9319     0.0520
 23   0     0.9310     1.0000     0.0690     0.9994     0.9459     0.0535
 24   0     0.9087     1.0000     0.0913     0.9826     0.9297     0.0529
 25   0     0.9195     1.0000     0.0805     0.9804     0.9242     0.0562
 26   0     0.9225     1.0000     0.0775     0.9916     0.9427     0.0489
 27   0     0.9207     1.0000     0.0793     0.9821     0.9293     0.0528
 28   0     0.9266     1.0000     0.0734     0.9926     0.9427     0.0499
 29   0     0.9199     1.0000     0.0801     0.9896     0.9376     0.0520
 30   0     6.1953     6.0000    -0.1953     3.9835     3.6488     0.3347
 31   0     6.1877     6.0000    -0.1877     3.9725     3.6461     0.3264
 32   0     6.1450     6.0000    -0.1450     4.0171     3.7057     0.3114
 33   0     6.1371     6.0000    -0.1371     3.9880     3.6740     0.3140
 34   0     6.1994     6.0000    -0.1994     3.9812     3.6560     0.3252
 35   0     0.9095     1.0000     0.0905     0.9815     0.9271     0.0544
 36   0     0.9094     1.0000     0.0906     0.9856     0.9322     0.0534
 37   0     0.9108     1.0000     0.0892     0.9825     0.9296     0.0529
 38   0     0.9162     1.0000     0.0838     0.9798     0.9237     0.0561
 39   0     0.9004     1.0000     0.0996     0.9857     0.9363     0.0494
 40   0     0.9123     1.0000     0.0877     0.9877     0.9376     0.0501
 41   0     0.9448     1.0000     0.0552     1.0093     0.9547     0.0546
 42   0     0.9111     1.0000     0.0889     0.9778     0.9253     0.0525
 43   0     0.9012     1.0000     0.0988     0.9814     0.9306     0.0508
 44   0     0.9196     1.0000     0.0804     0.9858     0.9335     0.0523
 45   0     6.1988     6.0000    -0.1988     3.9610     3.6337     0.3273
 46   0     6.1767     6.0000    -0.1767     4.0014     3.6737     0.3277
 47   0     6.1594     6.0000    -0.1594     3.9814     3.6574     0.3240
 48   0     6.1964     6.0000    -0.1964     4.0335     3.7124     0.3211
 49   0     6.1363     6.0000    -0.1363     3.9822     3.6660     0.3162
 50   0     0.9296     1.0000     0.0704     0.9849     0.9297     0.0552
 51   0     0.9009     1.0000     0.0991     0.9802     0.9294     0.0508
 52   0     0.9203     1.0000     0.0797     0.9904     0.9370     0.0534
 53   0     0.8951     1.0000     0.1049     0.9764     0.9213     0.0551
 54   0     0.8992     1.0000     0.1008     0.9795     0.9259     0.0536
 55   0     0.9149     1.0000     0.0851     0.9868     0.9351     0.0517
 56   0     0.9052     1.0000     0.0948     0.9891     0.9379     0.0512
 57   0     0.9143     1.0000     0.0857     0.9836     0.9304     0.0532
 58   0     0.9316     1.0000     0.0684     0.9939     0.9419     0.0520
 59   0     0.9130     1.0000     0.0870     0.9849     0.9356     0.0493
 60   0     6.1555     6.0000    -0.1555     3.9970     3.6811     0.3159
 61   0     6.1712     6.0000    -0.1712     4.0298     3.7144     0.3154
 62   0     6.1739     6.0000    -0.1739     4.0204     3.7060     0.3144
 63   0     6.1434     6.0000    -0.1434     4.0079     3.6873     0.3206
 64   0     6.1703     6.0000    -0.1703     3.9762     3.6519     0.3243
 65   0     0.9124     1.0000     0.0876     0.9833     0.9326     0.0507
 66   0     0.9162     1.0000     0.0838     0.9794     0.9238     0.0556
 67   0     0.9205     1.0000     0.0795     0.9851     0.9322     0.0529
 68   0     0.9088     1.0000     0.0912     0.9835     0.9318     0.0517
 69   0     0.9177     1.0000     0.0823     0.9823     0.9291     0.0532
 70   0     0.9039     1.0000     0.0961     0.9854     0.9359     0.0495
 71   0     0.9260     1.0000     0.0740     0.9910     0.9376     0.0534
 72   0     0.9187     1.0000     0.0813     0.9925     0.9408     0.0517
 73   0     0.9219     1.0000     0.0781     0.9813     0.9280     0.0533
 74   0     0.9443     1.0000     0.0557     1.0020     0.9467     0.0553
 75   0     6.1920     6.0000    -0.1920     4.0198     3.6934     0.3264
 76   0     6.1287     6.0000    -0.1287     3.9232     3.6075     0.3157
 77   0     6.2018     6.0000    -0.2018     3.9811     3.6501     0.3310
 78   0     6.1646     6.0000    -0.1646     3.9774     3.6484     0.3290
 79   0     6.1955     6.0000    -0.1955     4.0069     3.6879     0.3190
 80   0     0.9078     1.0000     0.0922     0.9890     0.9384     0.0506
 81   0     0.9048     1.0000     0.0952     0.9823     0.9275     0.0548
 82   0     0.9479     1.0000     0.0521     1.0046     0.9488     0.0558
 83   0     0.9086     1.0000     0.0914     0.9839     0.9337     0.0502
 84   0     0.9169     1.0000     0.0831     0.9821     0.9284     0.0537
 85   0     0.9092     1.0000     0.0908     0.9802     0.9288     0.0514
 86   0     0.9005     1.0000     0.0995     0.9784     0.9230     0.0554
 87   0     0.9112     1.0000     0.0888     0.9870     0.9369     0.0501
 88   0     0.8971     1.0000     0.1029     0.9904     0.9413     0.0491
 89   0     0.9112     1.0000     0.0888     0.9813     0.9279     0.0534
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.904544
                0             6               4            6                0.905508
                0             6               5            1                0.962916
                0             6               6            1                0.946596
                1             6               2            6                0.915451
                1             6               7            1                0.940674
                1             6               8            1                0.965128
                2             6               3            6                0.896671
                2             6               9            1                0.946091
                2             6              10            1                0.949576
                3             6               4            6                0.897569
                3             6              11            1                0.966840
                3             6              12            1                0.954824
                4             6              13            1                0.951936
                4             6              14            1                0.957063
               15             6              16            6                0.905271
               15             6              19            6                0.910521
               15             6              20            1                0.942351
               15             6              21            1                0.943650
               16             6              17            6                0.902727
               16             6              22            1                0.942032
               16             6              23            1                0.952106
               17             6              18            6                0.916341
               17             6              24            1                0.948721
               17             6              25            1                0.952490
               18             6              19            6                0.912449
               18             6              26            1                0.955301
               18             6              27            1                0.948615
               19             6              28            1                0.960745
               19             6              29            1                0.945963
               30             6              31            6                0.893492
               30             6              34            6                0.893710
               30             6              35            1                0.950122
               30             6              36            1                0.946211
               31             6              32            6                0.903152
               31             6              37            1                0.947754
               31             6              38            1                0.954630
               32             6              33            6                0.912893
               32             6              39            1                0.948083
               32             6              40            1                0.958432
               33             6              34            6                0.893945
               33             6              41            1                0.958107
               33             6              42            1                0.951143
               34             6              43            1                0.947979
               34             6              44            1                0.957225
               45             6              46            6                0.897057
               45             6              49            6                0.887170
               45             6              50            1                0.952735
               45             6              51            1                0.946244
               46             6              47            6                0.906928
               46             6              52            1                0.955518
               46             6              53            1                0.933900
               47             6              48            6                0.912113
               47             6              54            1                0.941478
               47             6              55            1                0.951533
               48             6              49            6                0.918343
               48             6              56            1                0.946408
               48             6              57            1                0.950582
               49             6              58            1                0.954943
               49             6              59            1                0.953866
               60             6              61            6                0.924326
               60             6              64            6                0.894094
               60             6              65            1                0.950028
               60             6              66            1                0.954679
               61             6              62            6                0.912757
               61             6              67            1                0.956394
               61             6              68            1                0.946640
               62             6              63            6                0.916595
               62             6              69            1                0.959258
               62             6              70            1                0.954562
               63             6              64            6                0.904535
               63             6              71            1                0.944785
               63             6              72            1                0.950012
               64             6              73            1                0.954070
               64             6              74            1                0.950846
               75             6              76            6                0.894794
               75             6              79            6                0.906107
               75             6              80            1                0.955194
               75             6              81            1                0.952133
               76             6              77            6                0.875531
               76             6              82            1                0.955409
               76             6              83            1                0.951892
               77             6              78            6                0.897066
               77             6              84            1                0.960438
               77             6              85            1                0.946593
               78             6              79            6                0.906283
               78             6              86            1                0.939081
               78             6              87            1                0.954133
               79             6              88            1                0.948565
               79             6              89            1                0.954239
# -----------------------------------------------------------
$ 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     6.2024     6.0000    -0.2024     3.9791     3.6671     0.3120
  1   0     6.2428     6.0000    -0.2428     4.0080     3.6896     0.3184
  2   0     6.1814     6.0000    -0.1814     3.9899     3.6750     0.3149
  3   0     6.1592     6.0000    -0.1592     3.9686     3.6556     0.3130
  4   0     6.2505     6.0000    -0.2505     3.9852     3.6626     0.3226
  5   0     0.9042     1.0000     0.0958     0.9841     0.9307     0.0534
  6   0     0.8794     1.0000     0.1206     0.9777     0.9282     0.0495
  7   0     0.8832     1.0000     0.1168     0.9748     0.9206     0.0542
  8   0     0.8918     1.0000     0.1082     0.9824     0.9335     0.0489
  9   0     0.8877     1.0000     0.1123     0.9829     0.9323     0.0506
 10   0     0.8882     1.0000     0.1118     0.9817     0.9336     0.0481
 11   0     0.9032     1.0000     0.0968     1.0011     0.9512     0.0499
 12   0     0.9461     1.0000     0.0539     1.0269     0.9713     0.0556
 13   0     0.8979     1.0000     0.1021     0.9767     0.9237     0.0530
 14   0     0.8851     1.0000     0.1149     0.9748     0.9242     0.0506
 15   0     6.2496     6.0000    -0.2496     3.9968     3.6673     0.3295
 16   0     6.2323     6.0000    -0.2323     3.9789     3.6564     0.3225
 17   0     6.2292     6.0000    -0.2292     3.9781     3.6616     0.3165
 18   0     6.2057     6.0000    -0.2057     3.9986     3.6940     0.3046
 19   0     6.1611     6.0000    -0.1611     3.9600     3.6539     0.3061
 20   0     0.8873     1.0000     0.1127     0.9796     0.9286     0.0510
 21   0     0.8893     1.0000     0.1107     0.9885     0.9355     0.0530
 22   0     0.8811     1.0000     0.1189     0.9762     0.9252     0.0510
 23   0     0.8987     1.0000     0.1013     0.9884     0.9362     0.0522
 24   0     0.8853     1.0000     0.1147     0.9760     0.9241     0.0519
 25   0     0.8936     1.0000     0.1064     0.9730     0.9179     0.0551
 26   0     0.8957     1.0000     0.1043     0.9838     0.9360     0.0478
 27   0     0.8964     1.0000     0.1036     0.9754     0.9235     0.0519
 28   0     0.9018     1.0000     0.0982     0.9863     0.9374     0.0489
 29   0     0.8947     1.0000     0.1053     0.9826     0.9317     0.0509
 30   0     6.2384     6.0000    -0.2384     3.9616     3.6310     0.3306
 31   0     6.2342     6.0000    -0.2342     3.9581     3.6362     0.3219
 32   0     6.1995     6.0000    -0.1995     4.0017     3.6943     0.3074
 33   0     6.2016     6.0000    -0.2016     3.9855     3.6756     0.3099
 34   0     6.2459     6.0000    -0.2459     3.9628     3.6418     0.3210
 35   0     0.8861     1.0000     0.1139     0.9739     0.9205     0.0534
 36   0     0.8856     1.0000     0.1144     0.9779     0.9255     0.0524
 37   0     0.8868     1.0000     0.1132     0.9761     0.9243     0.0518
 38   0     0.8914     1.0000     0.1086     0.9718     0.9168     0.0550
 39   0     0.8771     1.0000     0.1229     0.9793     0.9309     0.0484
 40   0     0.8869     1.0000     0.1131     0.9784     0.9293     0.0491
 41   0     0.9087     1.0000     0.0913     0.9992     0.9460     0.0532
 42   0     0.8873     1.0000     0.1127     0.9720     0.9206     0.0514
 43   0     0.8778     1.0000     0.1222     0.9757     0.9260     0.0497
 44   0     0.8921     1.0000     0.1079     0.9758     0.9247     0.0511
 45   0     6.2497     6.0000    -0.2497     3.9483     3.6256     0.3227
 46   0     6.2212     6.0000    -0.2212     3.9903     3.6672     0.3231
 47   0     6.2097     6.0000    -0.2097     3.9755     3.6558     0.3197
 48   0     6.2324     6.0000    -0.2324     4.0041     3.6874     0.3167
 49   0     6.2001     6.0000    -0.2001     3.9707     3.6585     0.3122
 50   0     0.9040     1.0000     0.0960     0.9765     0.9225     0.0540
 51   0     0.8740     1.0000     0.1260     0.9723     0.9228     0.0495
 52   0     0.8933     1.0000     0.1067     0.9823     0.9301     0.0522
 53   0     0.8768     1.0000     0.1232     0.9714     0.9171     0.0543
 54   0     0.8771     1.0000     0.1229     0.9748     0.9222     0.0526
 55   0     0.8919     1.0000     0.1081     0.9788     0.9281     0.0507
 56   0     0.8818     1.0000     0.1182     0.9811     0.9310     0.0501
 57   0     0.8910     1.0000     0.1090     0.9763     0.9241     0.0522
 58   0     0.9022     1.0000     0.0978     0.9893     0.9385     0.0508
 59   0     0.8888     1.0000     0.1112     0.9775     0.9293     0.0482
 60   0     6.2061     6.0000    -0.2061     3.9806     3.6691     0.3115
 61   0     6.2216     6.0000    -0.2216     4.0071     3.6957     0.3114
 62   0     6.2260     6.0000    -0.2260     4.0038     3.6934     0.3104
 63   0     6.2009     6.0000    -0.2009     3.9951     3.6785     0.3166
 64   0     6.2235     6.0000    -0.2235     3.9594     3.6395     0.3199
 65   0     0.8872     1.0000     0.1128     0.9749     0.9253     0.0496
 66   0     0.8905     1.0000     0.1095     0.9738     0.9194     0.0544
 67   0     0.8944     1.0000     0.1056     0.9762     0.9244     0.0518
 68   0     0.8855     1.0000     0.1145     0.9765     0.9258     0.0507
 69   0     0.8901     1.0000     0.1099     0.9729     0.9209     0.0520
 70   0     0.8789     1.0000     0.1211     0.9770     0.9285     0.0485
 71   0     0.8984     1.0000     0.1016     0.9847     0.9325     0.0522
 72   0     0.8938     1.0000     0.1062     0.9872     0.9366     0.0506
 73   0     0.8934     1.0000     0.1066     0.9734     0.9214     0.0520
 74   0     0.9153     1.0000     0.0847     0.9978     0.9439     0.0539
 75   0     6.2353     6.0000    -0.2353     3.9998     3.6775     0.3223
 76   0     6.1915     6.0000    -0.1915     3.9174     3.6058     0.3116
 77   0     6.2489     6.0000    -0.2489     3.9514     3.6246     0.3268
 78   0     6.2090     6.0000    -0.2090     3.9641     3.6395     0.3246
 79   0     6.2443     6.0000    -0.2443     4.0003     3.6855     0.3148
 80   0     0.8855     1.0000     0.1145     0.9801     0.9305     0.0496
 81   0     0.8811     1.0000     0.1189     0.9762     0.9225     0.0537
 82   0     0.9111     1.0000     0.0889     0.9922     0.9379     0.0543
 83   0     0.8839     1.0000     0.1161     0.9764     0.9272     0.0492
 84   0     0.8896     1.0000     0.1104     0.9761     0.9237     0.0524
 85   0     0.8863     1.0000     0.1137     0.9739     0.9236     0.0503
 86   0     0.8794     1.0000     0.1206     0.9740     0.9197     0.0543
 87   0     0.8907     1.0000     0.1093     0.9799     0.9308     0.0491
 88   0     0.8740     1.0000     0.1260     0.9810     0.9329     0.0481
 89   0     0.8854     1.0000     0.1146     0.9720     0.9196     0.0524
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.917858
                0             6               4            6                0.911130
                0             6               5            1                0.946021
                0             6               6            1                0.932764
                1             6               2            6                0.919843
                1             6               7            1                0.925669
                1             6               8            1                0.951736
                2             6               3            6                0.909289
                2             6               9            1                0.932218
                2             6              10            1                0.940188
                3             6               4            6                0.905594
                3             6              11            1                0.952857
                3             6              12            1                0.940795
                4             6              13            1                0.934262
                4             6              14            1                0.943475
               15             6              16            6                0.906913
               15             6              19            6                0.920253
               15             6              20            1                0.933083
               15             6              21            1                0.930806
               16             6              17            6                0.918436
               16             6              22            1                0.929806
               16             6              23            1                0.939194
               17             6              18            6                0.922783
               17             6              24            1                0.934574
               17             6              25            1                0.936648
               18             6              19            6                0.916113
               18             6              26            1                0.944533
               18             6              27            1                0.934244
               19             6              28            1                0.948231
               19             6              29            1                0.934113
               30             6              31            6                0.903333
               30             6              34            6                0.895053
               30             6              35            1                0.938138
               30             6              36            1                0.933580
               31             6              32            6                0.911131
               31             6              37            1                0.934898
               31             6              38            1                0.939934
               32             6              33            6                0.924908
               32             6              39            1                0.936079
               32             6              40            1                0.945341
               33             6              34            6                0.904980
               33             6              41            1                0.945049
               33             6              42            1                0.937136
               34             6              43            1                0.936438
               34             6              44            1                0.945382
               45             6              46            6                0.908941
               45             6              49            6                0.895418
               45             6              50            1                0.936994
               45             6              51            1                0.934631
               46             6              47            6                0.920341
               46             6              52            1                0.943161
               46             6              53            1                0.918657
               47             6              48            6                0.922170
               47             6              54            1                0.926329
               47             6              55            1                0.939226
               48             6              49            6                0.922057
               48             6              56            1                0.932564
               48             6              57            1                0.937028
               49             6              58            1                0.943562
               49             6              59            1                0.940878
               60             6              61            6                0.930187
               60             6              64            6                0.908930
               60             6              65            1                0.935183
               60             6              66            1                0.938637
               61             6              62            6                0.922624
               61             6              67            1                0.942736
               61             6              68            1                0.932419
               62             6              63            6                0.926677
               62             6              69            1                0.944128
               62             6              70            1                0.941817
               63             6              64            6                0.907285
               63             6              71            1                0.933197
               63             6              72            1                0.938235
               64             6              73            1                0.940318
               64             6              74            1                0.935433
               75             6              76            6                0.907078
               75             6              79            6                0.916063
               75             6              80            1                0.942015
               75             6              81            1                0.934938
               76             6              77            6                0.881065
               76             6              82            1                0.941442
               76             6              83            1                0.941734
               77             6              78            6                0.899012
               77             6              84            1                0.948156
               77             6              85            1                0.935226
               78             6              79            6                0.919594
               78             6              86            1                0.923402
               78             6              87            1                0.944126
               79             6              88            1                0.936100
               79             6              89            1                0.940287
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1848603639
        Correlation Energy:       -5.0673963520
        Total MP2 Energy:      -1176.2522567159
# -----------------------------------------------------------
$ 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) :        0.0230487825
        Electronic Contribution:
                  0    
      0       0.250812
      1       0.312563
      2       0.146055
        Nuclear Contribution:
                  0    
      0      -0.249035
      1      -0.321336
      2      -0.144601
        Total Dipole moment:
                  0    
      0       0.001777
      1      -0.008773
      2       0.001454
# -----------------------------------------------------------
$ 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) :        0.0238327806
        Electronic Contribution:
                  0    
      0       0.249944
      1       0.312130
      2       0.146132
        Nuclear Contribution:
                  0    
      0      -0.249035
      1      -0.321336
      2      -0.144601
        Total Dipole moment:
                  0    
      0       0.000909
      1      -0.009206
      2       0.001530
# -----------------------------------------------------------
$ 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) :        0.0644552820
        Electronic Contribution:
                  0    
      0       0.243999
      1       0.296495
      2       0.145391
        Nuclear Contribution:
                  0    
      0      -0.249035
      1      -0.321336
      2      -0.144601
        Total Dipole moment:
                  0    
      0      -0.005036
      1      -0.024841
      2       0.000790
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     22.460000000000   21.130000000000   22.430000000000
               1 C     21.480000000000   22.270000000000   22.520000000000
               2 C     20.020000000000   21.670000000000   22.690000000000
               3 C     20.270000000000   20.210000000000   23.080000000000
               4 C     21.700000000000   19.830000000000   22.640000000000
               5 H     23.160000000000   21.170000000000   23.280000000000
               6 H     23.110000000000   21.020000000000   21.570000000000
               7 H     21.540000000000   23.020000000000   21.640000000000
               8 H     21.740000000000   22.840000000000   23.340000000000
               9 H     19.470000000000   21.680000000000   21.740000000000
              10 H     19.550000000000   22.190000000000   23.480000000000
              11 H     19.600000000000   19.550000000000   22.630000000000
              12 H     20.240000000000   19.980000000000   24.160000000000
              13 H     21.670000000000   19.210000000000   21.710000000000
              14 H     22.170000000000   19.150000000000   23.340000000000
              15 C     16.000000000000   19.470000000000   21.860000000000
              16 C     16.200000000000   20.790000000000   20.960000000000
              17 C     14.900000000000   21.560000000000   21.150000000000
              18 C     13.900000000000   20.840000000000   21.990000000000
              19 C     14.470000000000   19.490000000000   22.140000000000
              20 H     16.510000000000   19.530000000000   22.830000000000
              21 H     16.360000000000   18.620000000000   21.210000000000
              22 H     16.470000000000   20.540000000000   19.920000000000
              23 H     17.060000000000   21.320000000000   21.360000000000
              24 H     14.510000000000   21.910000000000   20.170000000000
              25 H     15.100000000000   22.510000000000   21.750000000000
              26 H     12.980000000000   20.720000000000   21.510000000000
              27 H     13.780000000000   21.390000000000   22.960000000000
              28 H     14.020000000000   18.950000000000   21.370000000000
              29 H     14.260000000000   19.150000000000   23.160000000000
              30 C     20.580000000000   17.420000000000   18.250000000000
              31 C     21.040000000000   16.420000000000   19.350000000000
              32 C     20.040000000000   16.400000000000   20.480000000000
              33 C     19.020000000000   17.480000000000   20.190000000000
              34 C     19.290000000000   18.190000000000   18.890000000000
              35 H     20.220000000000   16.940000000000   17.290000000000
              36 H     21.420000000000   18.100000000000   17.980000000000
              37 H     22.090000000000   16.680000000000   19.580000000000
              38 H     21.080000000000   15.460000000000   18.730000000000
              39 H     20.580000000000   16.380000000000   21.400000000000
              40 H     19.700000000000   15.410000000000   20.340000000000
              41 H     19.000000000000   18.230000000000   20.970000000000
              42 H     18.010000000000   17.030000000000   20.150000000000
              43 H     19.330000000000   19.260000000000   18.980000000000
              44 H     18.460000000000   18.040000000000   18.210000000000
              45 C     20.800000000000   20.470000000000   27.000000000000
              46 C     19.290000000000   20.260000000000   27.170000000000
              47 C     19.060000000000   18.760000000000   26.880000000000
              48 C     20.410000000000   18.040000000000   26.990000000000
              49 C     21.470000000000   19.130000000000   26.720000000000
              50 H     21.230000000000   20.750000000000   27.980000000000
              51 H     21.180000000000   21.270000000000   26.380000000000
              52 H     18.860000000000   20.820000000000   26.330000000000
              53 H     18.830000000000   20.590000000000   28.200000000000
              54 H     18.520000000000   18.750000000000   25.880000000000
              55 H     18.470000000000   18.310000000000   27.680000000000
              56 H     20.610000000000   17.220000000000   26.300000000000
              57 H     20.480000000000   17.640000000000   28.030000000000
              58 H     21.810000000000   19.060000000000   25.710000000000
              59 H     22.290000000000   19.080000000000   27.380000000000
              60 C     23.360000000000   23.480000000000   28.450000000000
              61 C     24.580000000000   22.660000000000   28.780000000000
              62 C     25.210000000000   22.280000000000   27.450000000000
              63 C     24.490000000000   22.940000000000   26.290000000000
              64 C     23.440000000000   23.870000000000   27.030000000000
              65 H     23.280000000000   24.350000000000   29.070000000000
              66 H     22.420000000000   22.880000000000   28.720000000000
              67 H     24.220000000000   21.770000000000   29.320000000000
              68 H     25.240000000000   23.180000000000   29.490000000000
              69 H     25.120000000000   21.200000000000   27.320000000000
              70 H     26.260000000000   22.380000000000   27.360000000000
              71 H     23.960000000000   22.250000000000   25.610000000000
              72 H     25.120000000000   23.610000000000   25.720000000000
              73 H     22.430000000000   23.770000000000   26.680000000000
              74 H     23.670000000000   24.930000000000   26.800000000000
              75 C     24.730000000000   26.240000000000   23.730000000000
              76 C     23.200000000000   25.970000000000   23.590000000000
              77 C     22.540000000000   26.740000000000   24.700000000000
              78 C     23.670000000000   27.540000000000   25.530000000000
              79 C     25.010000000000   27.280000000000   24.870000000000
              80 H     25.100000000000   26.580000000000   22.780000000000
              81 H     25.200000000000   25.220000000000   23.870000000000
              82 H     22.830000000000   24.960000000000   23.770000000000
              83 H     22.810000000000   26.200000000000   22.620000000000
              84 H     22.040000000000   26.030000000000   25.390000000000
              85 H     21.780000000000   27.420000000000   24.320000000000
              86 H     23.480000000000   27.150000000000   26.600000000000
              87 H     23.370000000000   28.550000000000   25.370000000000
              88 H     25.830000000000   27.090000000000   25.510000000000
              89 H     25.320000000000   28.270000000000   24.470000000000
