-------------------------------------------------------------
----------------------- !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:    -1171.2071251501
# -----------------------------------------------------------
$ 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     6.0784     6.0000    -0.0784     3.9011     3.9011     0.0000
  1   0     6.1916     6.0000    -0.1916     3.8707     3.8707    -0.0000
  2   0     6.1659     6.0000    -0.1659     3.8759     3.8759    -0.0000
  3   0     6.1412     6.0000    -0.1412     3.8914     3.8914    -0.0000
  4   0     6.1756     6.0000    -0.1756     3.9235     3.9235    -0.0000
  5   0     0.9621     1.0000     0.0379     1.0192     1.0192    -0.0000
  6   0     0.9107     1.0000     0.0893     0.9836     0.9836     0.0000
  7   0     0.9259     1.0000     0.0741     0.9744     0.9744    -0.0000
  8   0     0.9363     1.0000     0.0637     0.9741     0.9741    -0.0000
  9   0     0.9226     1.0000     0.0774     0.9777     0.9777    -0.0000
 10   0     0.9212     1.0000     0.0788     0.9695     0.9695    -0.0000
 11   0     0.9206     1.0000     0.0794     0.9820     0.9820    -0.0000
 12   0     0.9211     1.0000     0.0789     0.9743     0.9743    -0.0000
 13   0     0.9156     1.0000     0.0844     0.9784     0.9784     0.0000
 14   0     0.9161     1.0000     0.0839     0.9732     0.9732     0.0000
 15   0     6.1694     6.0000    -0.1694     3.8768     3.8768     0.0000
 16   0     6.1000     6.0000    -0.1000     3.9774     3.9774     0.0000
 17   0     6.1803     6.0000    -0.1803     3.9029     3.9029     0.0000
 18   0     6.2191     6.0000    -0.2191     3.9596     3.9596     0.0000
 19   0     6.0780     6.0000    -0.0780     3.8635     3.8635     0.0000
 20   0     0.9070     1.0000     0.0930     0.9705     0.9705     0.0000
 21   0     0.9471     1.0000     0.0529     0.9858     0.9858    -0.0000
 22   0     0.9057     1.0000     0.0943     0.9731     0.9731     0.0000
 23   0     0.9449     1.0000     0.0551     0.9953     0.9953    -0.0000
 24   0     0.9281     1.0000     0.0719     0.9792     0.9792    -0.0000
 25   0     0.9075     1.0000     0.0925     0.9685     0.9685     0.0000
 26   0     0.8998     1.0000     0.1002     0.9681     0.9681     0.0000
 27   0     0.9679     1.0000     0.0321     1.0165     1.0165    -0.0000
 28   0     0.9397     1.0000     0.0603     1.0047     1.0047     0.0000
 29   0     0.9273     1.0000     0.0727     0.9792     0.9792     0.0000
 30   0     6.1702     6.0000    -0.1702     3.8898     3.8898    -0.0000
 31   0     6.1115     6.0000    -0.1115     3.8744     3.8744    -0.0000
 32   0     6.1759     6.0000    -0.1759     3.9177     3.9177     0.0000
 33   0     6.1523     6.0000    -0.1523     3.8064     3.8064    -0.0000
 34   0     6.2003     6.0000    -0.2003     3.8612     3.8612     0.0000
 35   0     0.9041     1.0000     0.0959     0.9689     0.9689     0.0000
 36   0     0.9167     1.0000     0.0833     0.9774     0.9774     0.0000
 37   0     0.9092     1.0000     0.0908     0.9707     0.9707    -0.0000
 38   0     0.9451     1.0000     0.0549     0.9856     0.9856    -0.0000
 39   0     0.9095     1.0000     0.0905     0.9795     0.9795     0.0000
 40   0     0.9194     1.0000     0.0806     0.9715     0.9715     0.0000
 41   0     0.9155     1.0000     0.0845     0.9708     0.9708    -0.0000
 42   0     0.9344     1.0000     0.0656     0.9902     0.9902    -0.0000
 43   0     0.9049     1.0000     0.0951     0.9697     0.9697     0.0000
 44   0     0.9189     1.0000     0.0811     0.9745     0.9745     0.0000
 45   0     6.1664     6.0000    -0.1664     3.8906     3.8906     0.0000
 46   0     6.1768     6.0000    -0.1768     3.8752     3.8752    -0.0000
 47   0     6.1820     6.0000    -0.1820     3.9093     3.9093     0.0000
 48   0     6.1395     6.0000    -0.1395     3.8738     3.8738     0.0000
 49   0     6.1504     6.0000    -0.1504     3.9049     3.9049     0.0000
 50   0     0.9196     1.0000     0.0804     0.9742     0.9742     0.0000
 51   0     0.9081     1.0000     0.0919     0.9711     0.9711     0.0000
 52   0     0.9092     1.0000     0.0908     0.9716     0.9716    -0.0000
 53   0     0.9151     1.0000     0.0849     0.9754     0.9754    -0.0000
 54   0     0.9129     1.0000     0.0871     0.9722     0.9722    -0.0000
 55   0     0.9230     1.0000     0.0770     0.9753     0.9753    -0.0000
 56   0     0.9147     1.0000     0.0853     0.9735     0.9735     0.0000
 57   0     0.9235     1.0000     0.0765     0.9697     0.9697     0.0000
 58   0     0.9300     1.0000     0.0700     0.9795     0.9795     0.0000
 59   0     0.9163     1.0000     0.0837     0.9808     0.9808     0.0000
 60   0     6.2295     6.0000    -0.2295     3.8847     3.8847    -0.0000
 61   0     6.0701     6.0000    -0.0701     3.8757     3.8757    -0.0000
 62   0     6.1471     6.0000    -0.1471     3.9373     3.9373    -0.0000
 63   0     6.1775     6.0000    -0.1775     3.8842     3.8842    -0.0000
 64   0     6.1615     6.0000    -0.1615     3.8631     3.8631    -0.0000
 65   0     0.9062     1.0000     0.0938     0.9694     0.9694     0.0000
 66   0     0.9232     1.0000     0.0768     0.9702     0.9702     0.0000
 67   0     0.9649     1.0000     0.0351     1.0127     1.0127    -0.0000
 68   0     0.9209     1.0000     0.0791     0.9756     0.9756    -0.0000
 69   0     0.9239     1.0000     0.0761     0.9766     0.9766    -0.0000
 70   0     0.9175     1.0000     0.0825     0.9848     0.9848    -0.0000
 71   0     0.9222     1.0000     0.0778     0.9736     0.9736     0.0000
 72   0     0.9051     1.0000     0.0949     0.9752     0.9752    -0.0000
 73   0     0.9171     1.0000     0.0829     0.9739     0.9739    -0.0000
 74   0     0.9130     1.0000     0.0870     0.9761     0.9761    -0.0000
 75   0     6.1851     6.0000    -0.1851     3.8774     3.8774     0.0000
 76   0     6.0922     6.0000    -0.0922     3.8975     3.8975    -0.0000
 77   0     6.1658     6.0000    -0.1658     3.9314     3.9314     0.0000
 78   0     6.1552     6.0000    -0.1552     3.8955     3.8955     0.0000
 79   0     6.2166     6.0000    -0.2166     3.8928     3.8928     0.0000
 80   0     0.9237     1.0000     0.0763     0.9762     0.9762     0.0000
 81   0     0.9081     1.0000     0.0919     0.9700     0.9700     0.0000
 82   0     0.9313     1.0000     0.0687     0.9834     0.9834    -0.0000
 83   0     0.9278     1.0000     0.0722     0.9785     0.9785    -0.0000
 84   0     0.9187     1.0000     0.0813     0.9790     0.9790    -0.0000
 85   0     0.9174     1.0000     0.0826     0.9763     0.9763     0.0000
 86   0     0.9116     1.0000     0.0884     0.9760     0.9760    -0.0000
 87   0     0.9169     1.0000     0.0831     0.9780     0.9780    -0.0000
 88   0     0.9223     1.0000     0.0777     0.9790     0.9790     0.0000
 89   0     0.9054     1.0000     0.0946     0.9744     0.9744    -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                0.971702
                0             6               4            6                0.975634
                0             6               5            1                1.002250
                0             6               6            1                0.982877
                1             6               2            6                0.941603
                1             6               7            1                0.993800
                1             6               8            1                0.993026
                2             6               3            6                0.976143
                2             6               9            1                0.999166
                2             6              10            1                0.987781
                3             6               4            6                0.973787
                3             6              11            1                0.996529
                3             6              12            1                0.990809
                4             6              13            1                0.991550
                4             6              14            1                0.997792
               15             6              16            6                0.996060
               15             6              19            6                0.934120
               15             6              20            1                0.982472
               15             6              21            1                1.003612
               16             6              17            6                0.993643
               16             6              22            1                0.982550
               16             6              23            1                0.988319
               17             6              18            6                0.965080
               17             6              24            1                0.999672
               17             6              25            1                0.994161
               18             6              19            6                1.001712
               18             6              26            1                0.983995
               18             6              27            1                1.004702
               19             6              28            1                0.992756
               19             6              29            1                0.982270
               30             6              31            6                0.962199
               30             6              34            6                0.973318
               30             6              35            1                0.989250
               30             6              36            1                0.988571
               31             6              32            6                0.979653
               31             6              37            1                0.985149
               31             6              38            1                0.999585
               32             6              33            6                0.963837
               32             6              39            1                0.986835
               32             6              40            1                0.987798
               33             6              34            6                0.934855
               33             6              41            1                0.988776
               33             6              42            1                0.993740
               34             6              43            1                0.986258
               34             6              44            1                0.999133
               45             6              46            6                0.963311
               45             6              49            6                0.979793
               45             6              50            1                0.991884
               45             6              51            1                0.985282
               46             6              47            6                0.970886
               46             6              52            1                0.991837
               46             6              53            1                0.996539
               47             6              48            6                0.970197
               47             6              54            1                0.991117
               47             6              55            1                0.995554
               48             6              49            6                0.964303
               48             6              56            1                0.990427
               48             6              57            1                0.996167
               49             6              58            1                0.997459
               49             6              59            1                0.986606
               60             6              61            6                0.955962
               60             6              64            6                0.963340
               60             6              65            1                0.986656
               60             6              66            1                1.000700
               61             6              62            6                0.982084
               61             6              67            1                0.999644
               61             6              68            1                0.987165
               62             6              63            6                0.980204
               62             6              69            1                0.992094
               62             6              70            1                0.996928
               63             6              64            6                0.959253
               63             6              71            1                0.994423
               63             6              72            1                0.991783
               64             6              73            1                0.993233
               64             6              74            1                0.986044
               75             6              76            6                0.970200
               75             6              79            6                0.962816
               75             6              80            1                0.991593
               75             6              81            1                0.986785
               76             6              77            6                0.984805
               76             6              82            1                0.994234
               76             6              83            1                0.984499
               77             6              78            6                0.978744
               77             6              84            1                0.993141
               77             6              85            1                0.987723
               78             6              79            6                0.969455
               78             6              86            1                0.992989
               78             6              87            1                0.991306
               79             6              88            1                0.994135
               79             6              89            1                0.990785
# -----------------------------------------------------------
$ 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     6.0859     6.0000    -0.0859     4.0046     3.6844     0.3202
  1   0     6.1986     6.0000    -0.1986     3.9826     3.6563     0.3263
  2   0     6.1745     6.0000    -0.1745     3.9863     3.6607     0.3256
  3   0     6.1483     6.0000    -0.1483     3.9965     3.6819     0.3146
  4   0     6.1835     6.0000    -0.1835     4.0321     3.7136     0.3185
  5   0     0.9580     1.0000     0.0420     1.0292     0.9759     0.0533
  6   0     0.9070     1.0000     0.0930     0.9926     0.9427     0.0499
  7   0     0.9218     1.0000     0.0782     0.9844     0.9292     0.0552
  8   0     0.9324     1.0000     0.0676     0.9849     0.9308     0.0541
  9   0     0.9187     1.0000     0.0813     0.9871     0.9348     0.0523
 10   0     0.9174     1.0000     0.0826     0.9791     0.9223     0.0568
 11   0     0.9167     1.0000     0.0833     0.9914     0.9422     0.0492
 12   0     0.9173     1.0000     0.0827     0.9839     0.9281     0.0558
 13   0     0.9117     1.0000     0.0883     0.9876     0.9365     0.0511
 14   0     0.9124     1.0000     0.0876     0.9827     0.9305     0.0522
 15   0     6.1773     6.0000    -0.1773     3.9890     3.6645     0.3245
 16   0     6.1088     6.0000    -0.1088     4.0823     3.7608     0.3215
 17   0     6.1879     6.0000    -0.1879     4.0142     3.6863     0.3279
 18   0     6.2275     6.0000    -0.2275     4.0757     3.7402     0.3355
 19   0     6.0871     6.0000    -0.0871     3.9723     3.6510     0.3213
 20   0     0.9027     1.0000     0.0973     0.9797     0.9272     0.0525
 21   0     0.9432     1.0000     0.0568     0.9968     0.9397     0.0571
 22   0     0.9015     1.0000     0.0985     0.9818     0.9295     0.0523
 23   0     0.9406     1.0000     0.0594     1.0053     0.9529     0.0524
 24   0     0.9244     1.0000     0.0756     0.9893     0.9349     0.0544
 25   0     0.9033     1.0000     0.0967     0.9776     0.9272     0.0504
 26   0     0.8956     1.0000     0.1044     0.9766     0.9249     0.0517
 27   0     0.9635     1.0000     0.0365     1.0275     0.9733     0.0542
 28   0     0.9353     1.0000     0.0647     1.0138     0.9593     0.0545
 29   0     0.9231     1.0000     0.0769     0.9890     0.9369     0.0521
 30   0     6.1782     6.0000    -0.1782     3.9991     3.6806     0.3185
 31   0     6.1189     6.0000    -0.1189     3.9792     3.6660     0.3132
 32   0     6.1846     6.0000    -0.1846     4.0287     3.7020     0.3267
 33   0     6.1597     6.0000    -0.1597     3.9186     3.5916     0.3270
 34   0     6.2082     6.0000    -0.2082     3.9756     3.6460     0.3296
 35   0     0.9002     1.0000     0.0998     0.9777     0.9251     0.0526
 36   0     0.9127     1.0000     0.0873     0.9865     0.9357     0.0508
 37   0     0.9051     1.0000     0.0949     0.9798     0.9282     0.0516
 38   0     0.9413     1.0000     0.0587     0.9962     0.9420     0.0542
 39   0     0.9055     1.0000     0.0945     0.9884     0.9378     0.0506
 40   0     0.9154     1.0000     0.0846     0.9808     0.9252     0.0556
 41   0     0.9114     1.0000     0.0886     0.9802     0.9275     0.0527
 42   0     0.9307     1.0000     0.0693     1.0005     0.9478     0.0527
 43   0     0.9009     1.0000     0.0991     0.9788     0.9274     0.0514
 44   0     0.9151     1.0000     0.0849     0.9842     0.9317     0.0525
 45   0     6.1750     6.0000    -0.1750     4.0017     3.6772     0.3245
 46   0     6.1847     6.0000    -0.1847     3.9863     3.6677     0.3186
 47   0     6.1897     6.0000    -0.1897     4.0175     3.7025     0.3150
 48   0     6.1482     6.0000    -0.1482     3.9833     3.6694     0.3139
 49   0     6.1585     6.0000    -0.1585     4.0138     3.6974     0.3164
 50   0     0.9156     1.0000     0.0844     0.9837     0.9308     0.0529
 51   0     0.9039     1.0000     0.0961     0.9798     0.9292     0.0506
 52   0     0.9052     1.0000     0.0948     0.9806     0.9324     0.0482
 53   0     0.9112     1.0000     0.0888     0.9847     0.9347     0.0500
 54   0     0.9090     1.0000     0.0910     0.9814     0.9309     0.0505
 55   0     0.9191     1.0000     0.0809     0.9847     0.9319     0.0528
 56   0     0.9104     1.0000     0.0896     0.9825     0.9329     0.0496
 57   0     0.9195     1.0000     0.0805     0.9794     0.9290     0.0504
 58   0     0.9258     1.0000     0.0742     0.9894     0.9398     0.0496
 59   0     0.9124     1.0000     0.0876     0.9902     0.9381     0.0521
 60   0     6.2371     6.0000    -0.2371     3.9995     3.6706     0.3289
 61   0     6.0779     6.0000    -0.0779     3.9796     3.6676     0.3120
 62   0     6.1547     6.0000    -0.1547     4.0422     3.7264     0.3158
 63   0     6.1855     6.0000    -0.1855     3.9964     3.6652     0.3312
 64   0     6.1695     6.0000    -0.1695     3.9743     3.6525     0.3218
 65   0     0.9021     1.0000     0.0979     0.9784     0.9223     0.0561
 66   0     0.9194     1.0000     0.0806     0.9804     0.9279     0.0525
 67   0     0.9613     1.0000     0.0387     1.0241     0.9710     0.0531
 68   0     0.9169     1.0000     0.0831     0.9848     0.9312     0.0536
 69   0     0.9201     1.0000     0.0799     0.9863     0.9332     0.0531
 70   0     0.9135     1.0000     0.0865     0.9939     0.9463     0.0476
 71   0     0.9184     1.0000     0.0816     0.9832     0.9268     0.0564
 72   0     0.9014     1.0000     0.0986     0.9843     0.9320     0.0523
 73   0     0.9129     1.0000     0.0871     0.9828     0.9318     0.0510
 74   0     0.9091     1.0000     0.0909     0.9852     0.9328     0.0524
 75   0     6.1930     6.0000    -0.1930     3.9891     3.6636     0.3255
 76   0     6.0998     6.0000    -0.0998     4.0003     3.6968     0.3035
 77   0     6.1737     6.0000    -0.1737     4.0382     3.7280     0.3102
 78   0     6.1627     6.0000    -0.1627     4.0035     3.6835     0.3200
 79   0     6.2244     6.0000    -0.2244     4.0069     3.6747     0.3322
 80   0     0.9198     1.0000     0.0802     0.9860     0.9327     0.0533
 81   0     0.9042     1.0000     0.0958     0.9791     0.9252     0.0539
 82   0     0.9274     1.0000     0.0726     0.9933     0.9443     0.0490
 83   0     0.9237     1.0000     0.0763     0.9883     0.9383     0.0500
 84   0     0.9146     1.0000     0.0854     0.9881     0.9376     0.0505
 85   0     0.9136     1.0000     0.0864     0.9855     0.9353     0.0502
 86   0     0.9078     1.0000     0.0922     0.9851     0.9342     0.0509
 87   0     0.9132     1.0000     0.0868     0.9876     0.9345     0.0531
 88   0     0.9186     1.0000     0.0814     0.9888     0.9358     0.0530
 89   0     0.9015     1.0000     0.0985     0.9833     0.9321     0.0512
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.906925
                0             6               4            6                0.910168
                0             6               5            1                0.959959
                0             6               6            1                0.943206
                1             6               2            6                0.881258
                1             6               7            1                0.949705
                1             6               8            1                0.950510
                2             6               3            6                0.912062
                2             6               9            1                0.957493
                2             6              10            1                0.941954
                3             6               4            6                0.914654
                3             6              11            1                0.958079
                3             6              12            1                0.945888
                4             6              13            1                0.951203
                4             6              14            1                0.956077
               15             6              16            6                0.933093
               15             6              19            6                0.874885
               15             6              20            1                0.941116
               15             6              21            1                0.958600
               16             6              17            6                0.928272
               16             6              22            1                0.940280
               16             6              23            1                0.947292
               17             6              18            6                0.900013
               17             6              24            1                0.956306
               17             6              25            1                0.953709
               18             6              19            6                0.936673
               18             6              26            1                0.941686
               18             6              27            1                0.962683
               19             6              28            1                0.949064
               19             6              29            1                0.941579
               30             6              31            6                0.903311
               30             6              34            6                0.909829
               30             6              35            1                0.946696
               30             6              36            1                0.948325
               31             6              32            6                0.916774
               31             6              37            1                0.944180
               31             6              38            1                0.956973
               32             6              33            6                0.900812
               32             6              39            1                0.946611
               32             6              40            1                0.942762
               33             6              34            6                0.868724
               33             6              41            1                0.946584
               33             6              42            1                0.952522
               34             6              43            1                0.945531
               34             6              44            1                0.957267
               45             6              46            6                0.898250
               45             6              49            6                0.917791
               45             6              50            1                0.949572
               45             6              51            1                0.944856
               46             6              47            6                0.908959
               46             6              52            1                0.953791
               46             6              53            1                0.956848
               47             6              48            6                0.910718
               47             6              54            1                0.951269
               47             6              55            1                0.953433
               48             6              49            6                0.902084
               48             6              56            1                0.951202
               48             6              57            1                0.956126
               49             6              58            1                0.958826
               49             6              59            1                0.945569
               60             6              61            6                0.895162
               60             6              64            6                0.900407
               60             6              65            1                0.940923
               60             6              66            1                0.959161
               61             6              62            6                0.921605
               61             6              67            1                0.959345
               61             6              68            1                0.943852
               62             6              63            6                0.912894
               62             6              69            1                0.949858
               62             6              70            1                0.959777
               63             6              64            6                0.897604
               63             6              71            1                0.948718
               63             6              72            1                0.950002
               64             6              73            1                0.952272
               64             6              74            1                0.944208
               75             6              76            6                0.910168
               75             6              79            6                0.897645
               75             6              80            1                0.949552
               75             6              81            1                0.943679
               76             6              77            6                0.924465
               76             6              82            1                0.956333
               76             6              83            1                0.946046
               77             6              78            6                0.919376
               77             6              84            1                0.953273
               77             6              85            1                0.948268
               78             6              79            6                0.903057
               78             6              86            1                0.952400
               78             6              87            1                0.949045
               79             6              88            1                0.952165
               79             6              89            1                0.949817
# -----------------------------------------------------------
$ 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     6.1611     6.0000    -0.1611     3.9945     3.6780     0.3165
  1   0     6.2505     6.0000    -0.2505     3.9616     3.6399     0.3217
  2   0     6.2197     6.0000    -0.2197     3.9616     3.6405     0.3211
  3   0     6.1956     6.0000    -0.1956     3.9734     3.6632     0.3102
  4   0     6.2347     6.0000    -0.2347     4.0145     3.7001     0.3144
  5   0     0.9126     1.0000     0.0874     1.0153     0.9637     0.0516
  6   0     0.8846     1.0000     0.1154     0.9851     0.9363     0.0488
  7   0     0.8953     1.0000     0.1047     0.9781     0.9242     0.0539
  8   0     0.9026     1.0000     0.0974     0.9808     0.9283     0.0525
  9   0     0.8931     1.0000     0.1069     0.9799     0.9287     0.0512
 10   0     0.8928     1.0000     0.1072     0.9725     0.9168     0.0557
 11   0     0.8931     1.0000     0.1069     0.9847     0.9365     0.0482
 12   0     0.8926     1.0000     0.1074     0.9767     0.9220     0.0547
 13   0     0.8870     1.0000     0.1130     0.9798     0.9297     0.0501
 14   0     0.8867     1.0000     0.1133     0.9758     0.9247     0.0511
 15   0     6.2204     6.0000    -0.2204     3.9854     3.6660     0.3194
 16   0     6.1558     6.0000    -0.1558     4.0624     3.7452     0.3172
 17   0     6.2329     6.0000    -0.2329     4.0039     3.6806     0.3233
 18   0     6.2776     6.0000    -0.2776     4.0618     3.7310     0.3308
 19   0     6.1526     6.0000    -0.1526     3.9614     3.6443     0.3171
 20   0     0.8827     1.0000     0.1173     0.9739     0.9226     0.0513
 21   0     0.9146     1.0000     0.0854     0.9867     0.9310     0.0557
 22   0     0.8815     1.0000     0.1185     0.9758     0.9246     0.0512
 23   0     0.9171     1.0000     0.0829     0.9962     0.9449     0.0513
 24   0     0.8965     1.0000     0.1035     0.9813     0.9283     0.0530
 25   0     0.8845     1.0000     0.1155     0.9745     0.9252     0.0493
 26   0     0.8743     1.0000     0.1257     0.9706     0.9200     0.0506
 27   0     0.9249     1.0000     0.0751     1.0157     0.9632     0.0525
 28   0     0.9027     1.0000     0.0973     1.0063     0.9533     0.0530
 29   0     0.9006     1.0000     0.0994     0.9822     0.9312     0.0510
 30   0     6.2265     6.0000    -0.2265     3.9810     3.6669     0.3141
 31   0     6.1799     6.0000    -0.1799     3.9673     3.6582     0.3091
 32   0     6.2254     6.0000    -0.2254     3.9988     3.6766     0.3222
 33   0     6.2229     6.0000    -0.2229     3.9240     3.6015     0.3225
 34   0     6.2515     6.0000    -0.2515     3.9473     3.6218     0.3255
 35   0     0.8765     1.0000     0.1235     0.9724     0.9209     0.0515
 36   0     0.8886     1.0000     0.1114     0.9791     0.9294     0.0497
 37   0     0.8834     1.0000     0.1166     0.9751     0.9245     0.0506
 38   0     0.9096     1.0000     0.0904     0.9899     0.9371     0.0528
 39   0     0.8839     1.0000     0.1161     0.9818     0.9322     0.0496
 40   0     0.8908     1.0000     0.1092     0.9762     0.9217     0.0545
 41   0     0.8856     1.0000     0.1144     0.9723     0.9207     0.0516
 42   0     0.8983     1.0000     0.1017     0.9888     0.9375     0.0513
 43   0     0.8785     1.0000     0.1215     0.9726     0.9223     0.0503
 44   0     0.8881     1.0000     0.1119     0.9773     0.9260     0.0513
 45   0     6.2307     6.0000    -0.2307     3.9920     3.6715     0.3205
 46   0     6.2389     6.0000    -0.2389     3.9707     3.6557     0.3150
 47   0     6.2294     6.0000    -0.2294     3.9913     3.6804     0.3109
 48   0     6.2114     6.0000    -0.2114     3.9732     3.6631     0.3101
 49   0     6.2027     6.0000    -0.2027     3.9808     3.6685     0.3123
 50   0     0.8876     1.0000     0.1124     0.9759     0.9242     0.0517
 51   0     0.8835     1.0000     0.1165     0.9748     0.9252     0.0496
 52   0     0.8812     1.0000     0.1188     0.9734     0.9262     0.0472
 53   0     0.8831     1.0000     0.1169     0.9750     0.9262     0.0488
 54   0     0.8858     1.0000     0.1142     0.9746     0.9251     0.0495
 55   0     0.8919     1.0000     0.1081     0.9764     0.9248     0.0516
 56   0     0.8883     1.0000     0.1117     0.9753     0.9268     0.0485
 57   0     0.8889     1.0000     0.1111     0.9724     0.9233     0.0491
 58   0     0.8998     1.0000     0.1002     0.9800     0.9315     0.0485
 59   0     0.8871     1.0000     0.1129     0.9841     0.9332     0.0509
 60   0     6.2726     6.0000    -0.2726     3.9716     3.6476     0.3240
 61   0     6.1515     6.0000    -0.1515     3.9723     3.6645     0.3078
 62   0     6.2095     6.0000    -0.2095     4.0170     3.7052     0.3118
 63   0     6.2285     6.0000    -0.2285     3.9776     3.6507     0.3269
 64   0     6.2279     6.0000    -0.2279     3.9711     3.6536     0.3175
 65   0     0.8777     1.0000     0.1223     0.9713     0.9164     0.0549
 66   0     0.8946     1.0000     0.1054     0.9787     0.9275     0.0512
 67   0     0.9223     1.0000     0.0777     1.0134     0.9618     0.0516
 68   0     0.8920     1.0000     0.1080     0.9766     0.9240     0.0526
 69   0     0.8945     1.0000     0.1055     0.9822     0.9303     0.0519
 70   0     0.8882     1.0000     0.1118     0.9854     0.9389     0.0465
 71   0     0.8929     1.0000     0.1071     0.9756     0.9203     0.0553
 72   0     0.8788     1.0000     0.1212     0.9773     0.9260     0.0513
 73   0     0.8873     1.0000     0.1127     0.9771     0.9273     0.0498
 74   0     0.8836     1.0000     0.1164     0.9761     0.9247     0.0514
 75   0     6.2292     6.0000    -0.2292     3.9745     3.6535     0.3210
 76   0     6.1639     6.0000    -0.1639     3.9895     3.6896     0.2999
 77   0     6.2188     6.0000    -0.2188     4.0253     3.7191     0.3062
 78   0     6.2113     6.0000    -0.2113     4.0004     3.6845     0.3159
 79   0     6.2658     6.0000    -0.2658     3.9973     3.6692     0.3281
 80   0     0.8972     1.0000     0.1028     0.9778     0.9255     0.0523
 81   0     0.8821     1.0000     0.1179     0.9736     0.9208     0.0528
 82   0     0.9009     1.0000     0.0991     0.9842     0.9362     0.0480
 83   0     0.8967     1.0000     0.1033     0.9795     0.9307     0.0488
 84   0     0.8899     1.0000     0.1101     0.9783     0.9288     0.0495
 85   0     0.8914     1.0000     0.1086     0.9775     0.9282     0.0493
 86   0     0.8860     1.0000     0.1140     0.9771     0.9271     0.0500
 87   0     0.8911     1.0000     0.1089     0.9787     0.9265     0.0522
 88   0     0.8938     1.0000     0.1062     0.9795     0.9276     0.0519
 89   0     0.8797     1.0000     0.1203     0.9748     0.9246     0.0502
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.908967
                0             6               4            6                0.916757
                0             6               5            1                0.950765
                0             6               6            1                0.931202
                1             6               2            6                0.892636
                1             6               7            1                0.935745
                1             6               8            1                0.937914
                2             6               3            6                0.914828
                2             6               9            1                0.944393
                2             6              10            1                0.926349
                3             6               4            6                0.927153
                3             6              11            1                0.945460
                3             6              12            1                0.931666
                4             6              13            1                0.936802
                4             6              14            1                0.943436
               15             6              16            6                0.946261
               15             6              19            6                0.894415
               15             6              20            1                0.927875
               15             6              21            1                0.933400
               16             6              17            6                0.941231
               16             6              22            1                0.922170
               16             6              23            1                0.931745
               17             6              18            6                0.911414
               17             6              24            1                0.941165
               17             6              25            1                0.937842
               18             6              19            6                0.938393
               18             6              26            1                0.926309
               18             6              27            1                0.945023
               19             6              28            1                0.931673
               19             6              29            1                0.926329
               30             6              31            6                0.916092
               30             6              34            6                0.911903
               30             6              35            1                0.934622
               30             6              36            1                0.935197
               31             6              32            6                0.924338
               31             6              37            1                0.930045
               31             6              38            1                0.946534
               32             6              33            6                0.908431
               32             6              39            1                0.935046
               32             6              40            1                0.928003
               33             6              34            6                0.874879
               33             6              41            1                0.933674
               33             6              42            1                0.943049
               34             6              43            1                0.932651
               34             6              44            1                0.945296
               45             6              46            6                0.902715
               45             6              49            6                0.925158
               45             6              50            1                0.937849
               45             6              51            1                0.933169
               46             6              47            6                0.915268
               46             6              52            1                0.942815
               46             6              53            1                0.944900
               47             6              48            6                0.918948
               47             6              54            1                0.938625
               47             6              55            1                0.939656
               48             6              49            6                0.905726
               48             6              56            1                0.937057
               48             6              57            1                0.946904
               49             6              58            1                0.945868
               49             6              59            1                0.932207
               60             6              61            6                0.906799
               60             6              64            6                0.902879
               60             6              65            1                0.924260
               60             6              66            1                0.948583
               61             6              62            6                0.927915
               61             6              67            1                0.950640
               61             6              68            1                0.926723
               62             6              63            6                0.915851
               62             6              69            1                0.936630
               62             6              70            1                0.948429
               63             6              64            6                0.911760
               63             6              71            1                0.934701
               63             6              72            1                0.935313
               64             6              73            1                0.942451
               64             6              74            1                0.930011
               75             6              76            6                0.922190
               75             6              79            6                0.908915
               75             6              80            1                0.934016
               75             6              81            1                0.927243
               76             6              77            6                0.931870
               76             6              82            1                0.944686
               76             6              83            1                0.933650
               77             6              78            6                0.935647
               77             6              84            1                0.938056
               77             6              85            1                0.934169
               78             6              79            6                0.915287
               78             6              86            1                0.939873
               78             6              87            1                0.933887
               79             6              88            1                0.938658
               79             6              89            1                0.936500
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2071251501
        Correlation Energy:       -5.0719243534
        Total MP2 Energy:      -1176.2790495035
# -----------------------------------------------------------
$ 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) :        0.2962859159
        Electronic Contribution:
                  0    
      0       0.118341
      1      -0.688020
      2      -0.461567
        Nuclear Contribution:
                  0    
      0      -0.152634
      1       0.714972
      2       0.353469
        Total Dipole moment:
                  0    
      0      -0.034293
      1       0.026952
      2      -0.108097
# -----------------------------------------------------------
$ 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) :        0.2933525683
        Electronic Contribution:
                  0    
      0       0.119319
      1      -0.687693
      2      -0.460548
        Nuclear Contribution:
                  0    
      0      -0.152634
      1       0.714972
      2       0.353469
        Total Dipole moment:
                  0    
      0      -0.033315
      1       0.027279
      2      -0.107078
# -----------------------------------------------------------
$ 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) :        0.2229207717
        Electronic Contribution:
                  0    
      0       0.147422
      1      -0.677808
      2      -0.432737
        Nuclear Contribution:
                  0    
      0      -0.152634
      1       0.714972
      2       0.353469
        Total Dipole moment:
                  0    
      0      -0.005212
      1       0.037164
      2      -0.079268
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     21.270000000000   13.750000000000   22.080000000000
               1 C     20.200000000000   14.890000000000   21.920000000000
               2 C     20.240000000000   15.840000000000   23.090000000000
               3 C     21.190000000000   15.210000000000   24.120000000000
               4 C     21.850000000000   14.020000000000   23.520000000000
               5 H     22.120000000000   13.870000000000   21.410000000000
               6 H     20.830000000000   12.780000000000   22.000000000000
               7 H     19.130000000000   14.570000000000   21.800000000000
               8 H     20.370000000000   15.420000000000   21.000000000000
               9 H     19.210000000000   15.890000000000   23.450000000000
              10 H     20.590000000000   16.910000000000   22.760000000000
              11 H     20.550000000000   15.030000000000   24.920000000000
              12 H     21.910000000000   16.080000000000   24.350000000000
              13 H     21.750000000000   13.150000000000   24.160000000000
              14 H     22.910000000000   14.270000000000   23.490000000000
              15 C     20.440000000000   14.320000000000   17.850000000000
              16 C     19.210000000000   13.630000000000   18.420000000000
              17 C     18.270000000000   14.830000000000   18.720000000000
              18 C     18.990000000000   16.140000000000   18.250000000000
              19 C     20.020000000000   15.590000000000   17.220000000000
              20 H     21.100000000000   13.680000000000   17.220000000000
              21 H     21.060000000000   14.810000000000   18.620000000000
              22 H     19.450000000000   13.040000000000   19.340000000000
              23 H     18.790000000000   12.990000000000   17.650000000000
              24 H     18.130000000000   14.780000000000   19.800000000000
              25 H     17.280000000000   14.730000000000   18.340000000000
              26 H     19.390000000000   16.630000000000   19.150000000000
              27 H     18.300000000000   16.850000000000   17.800000000000
              28 H     20.890000000000   16.310000000000   17.100000000000
              29 H     19.550000000000   15.350000000000   16.270000000000
              30 C     25.620000000000   16.980000000000   15.510000000000
              31 C     25.710000000000   17.650000000000   16.820000000000
              32 C     24.370000000000   17.730000000000   17.570000000000
              33 C     23.310000000000   17.210000000000   16.580000000000
              34 C     24.100000000000   16.820000000000   15.260000000000
              35 H     26.200000000000   16.010000000000   15.500000000000
              36 H     25.920000000000   17.600000000000   14.680000000000
              37 H     26.210000000000   18.630000000000   16.710000000000
              38 H     26.310000000000   16.960000000000   17.390000000000
              39 H     24.140000000000   18.760000000000   17.840000000000
              40 H     24.400000000000   17.040000000000   18.490000000000
              41 H     22.570000000000   18.020000000000   16.430000000000
              42 H     22.780000000000   16.310000000000   16.800000000000
              43 H     23.690000000000   17.370000000000   14.410000000000
              44 H     23.780000000000   15.800000000000   15.100000000000
              45 C     15.920000000000   17.600000000000   16.790000000000
              46 C     16.660000000000   18.990000000000   16.920000000000
              47 C     16.780000000000   19.310000000000   18.420000000000
              48 C     16.270000000000   18.140000000000   19.190000000000
              49 C     15.520000000000   17.230000000000   18.210000000000
              50 H     16.640000000000   16.850000000000   16.410000000000
              51 H     15.040000000000   17.670000000000   16.140000000000
              52 H     16.180000000000   19.750000000000   16.400000000000
              53 H     17.570000000000   18.930000000000   16.390000000000
              54 H     16.290000000000   20.250000000000   18.630000000000
              55 H     17.830000000000   19.450000000000   18.710000000000
              56 H     15.690000000000   18.440000000000   20.040000000000
              57 H     17.080000000000   17.620000000000   19.620000000000
              58 H     14.540000000000   17.550000000000   18.310000000000
              59 H     15.580000000000   16.160000000000   18.470000000000
              60 C     24.090000000000   13.800000000000   19.130000000000
              61 C     25.100000000000   13.820000000000   17.990000000000
              62 C     26.470000000000   13.890000000000   18.570000000000
              63 C     26.280000000000   13.780000000000   20.160000000000
              64 C     24.790000000000   13.650000000000   20.490000000000
              65 H     23.270000000000   12.990000000000   18.930000000000
              66 H     23.560000000000   14.720000000000   19.160000000000
              67 H     24.920000000000   14.620000000000   17.340000000000
              68 H     25.020000000000   12.890000000000   17.360000000000
              69 H     26.960000000000   14.850000000000   18.330000000000
              70 H     27.050000000000   13.100000000000   18.270000000000
              71 H     26.600000000000   14.760000000000   20.670000000000
              72 H     26.940000000000   12.990000000000   20.570000000000
              73 H     24.490000000000   14.440000000000   21.170000000000
              74 H     24.500000000000   12.660000000000   20.900000000000
              75 C     17.840000000000   10.100000000000   16.380000000000
              76 C     17.240000000000   10.030000000000   15.010000000000
              77 C     17.950000000000    8.990000000000   14.190000000000
              78 C     19.360000000000    9.100000000000   14.670000000000
              79 C     19.360000000000    9.850000000000   16.090000000000
              80 H     17.580000000000    9.280000000000   17.080000000000
              81 H     17.570000000000   11.080000000000   16.890000000000
              82 H     17.370000000000   10.980000000000   14.630000000000
              83 H     16.210000000000    9.820000000000   15.110000000000
              84 H     17.820000000000    9.250000000000   13.150000000000
              85 H     17.490000000000    8.020000000000   14.310000000000
              86 H     19.950000000000    9.670000000000   13.960000000000
              87 H     19.850000000000    8.110000000000   14.830000000000
              88 H     19.880000000000   10.810000000000   16.060000000000
              89 H     19.870000000000    9.320000000000   16.900000000000
