-------------------------------------------------------------
----------------------- !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:    -1171.2342970542
# -----------------------------------------------------------
$ 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     6.1696     6.0000    -0.1696     3.9194     3.9194     0.0000
  1   0     6.1426     6.0000    -0.1426     3.8966     3.8966    -0.0000
  2   0     6.1421     6.0000    -0.1421     3.8932     3.8932    -0.0000
  3   0     6.1928     6.0000    -0.1928     3.9152     3.9152    -0.0000
  4   0     6.1561     6.0000    -0.1561     3.8604     3.8604    -0.0000
  5   0     0.9097     1.0000     0.0903     0.9720     0.9720     0.0000
  6   0     0.9202     1.0000     0.0798     0.9817     0.9817    -0.0000
  7   0     0.9180     1.0000     0.0820     0.9756     0.9756    -0.0000
  8   0     0.9235     1.0000     0.0765     0.9803     0.9803    -0.0000
  9   0     0.9168     1.0000     0.0832     0.9793     0.9793     0.0000
 10   0     0.9259     1.0000     0.0741     0.9752     0.9752     0.0000
 11   0     0.9101     1.0000     0.0899     0.9740     0.9740    -0.0000
 12   0     0.9230     1.0000     0.0770     0.9725     0.9725    -0.0000
 13   0     0.9166     1.0000     0.0834     0.9755     0.9755    -0.0000
 14   0     0.9339     1.0000     0.0661     0.9887     0.9887    -0.0000
 15   0     6.1382     6.0000    -0.1382     3.9002     3.9002    -0.0000
 16   0     6.1696     6.0000    -0.1696     3.9271     3.9271    -0.0000
 17   0     6.1569     6.0000    -0.1569     3.8530     3.8530     0.0000
 18   0     6.1994     6.0000    -0.1994     3.8622     3.8622    -0.0000
 19   0     6.1818     6.0000    -0.1818     3.9085     3.9085    -0.0000
 20   0     0.9129     1.0000     0.0871     0.9818     0.9818    -0.0000
 21   0     0.9227     1.0000     0.0773     0.9770     0.9770    -0.0000
 22   0     0.9204     1.0000     0.0796     0.9729     0.9729    -0.0000
 23   0     0.9005     1.0000     0.0995     0.9716     0.9716    -0.0000
 24   0     0.9174     1.0000     0.0826     0.9679     0.9679    -0.0000
 25   0     0.9162     1.0000     0.0838     0.9821     0.9821     0.0000
 26   0     0.9157     1.0000     0.0843     0.9635     0.9635    -0.0000
 27   0     0.9193     1.0000     0.0807     0.9690     0.9690    -0.0000
 28   0     0.9142     1.0000     0.0858     0.9742     0.9742    -0.0000
 29   0     0.9070     1.0000     0.0930     0.9686     0.9686    -0.0000
 30   0     6.1560     6.0000    -0.1560     3.9140     3.9140     0.0000
 31   0     6.1784     6.0000    -0.1784     3.8999     3.8999    -0.0000
 32   0     6.1438     6.0000    -0.1438     3.8981     3.8981     0.0000
 33   0     6.1930     6.0000    -0.1930     3.8851     3.8851    -0.0000
 34   0     6.1127     6.0000    -0.1127     3.8460     3.8460     0.0000
 35   0     0.9167     1.0000     0.0833     0.9743     0.9743     0.0000
 36   0     0.9182     1.0000     0.0818     0.9810     0.9810     0.0000
 37   0     0.9133     1.0000     0.0867     0.9762     0.9762    -0.0000
 38   0     0.9223     1.0000     0.0777     0.9772     0.9772     0.0000
 39   0     0.9189     1.0000     0.0811     0.9784     0.9784     0.0000
 40   0     0.9148     1.0000     0.0852     0.9746     0.9746     0.0000
 41   0     0.9200     1.0000     0.0800     0.9730     0.9730    -0.0000
 42   0     0.9162     1.0000     0.0838     0.9746     0.9746    -0.0000
 43   0     0.9435     1.0000     0.0565     0.9907     0.9907     0.0000
 44   0     0.9313     1.0000     0.0687     0.9824     0.9824    -0.0000
 45   0     6.1129     6.0000    -0.1129     3.9353     3.9353    -0.0000
 46   0     6.1567     6.0000    -0.1567     3.8782     3.8782    -0.0000
 47   0     6.1545     6.0000    -0.1545     3.8927     3.8927    -0.0000
 48   0     6.1938     6.0000    -0.1938     3.8869     3.8869     0.0000
 49   0     6.1928     6.0000    -0.1928     3.8867     3.8867     0.0000
 50   0     0.9528     1.0000     0.0472     0.9827     0.9827    -0.0000
 51   0     0.9054     1.0000     0.0946     0.9756     0.9756    -0.0000
 52   0     0.9170     1.0000     0.0830     0.9744     0.9744    -0.0000
 53   0     0.9545     1.0000     0.0455     1.0019     1.0019    -0.0000
 54   0     0.9103     1.0000     0.0897     0.9769     0.9769     0.0000
 55   0     0.9108     1.0000     0.0892     0.9754     0.9754    -0.0000
 56   0     0.9111     1.0000     0.0889     0.9749     0.9749    -0.0000
 57   0     0.9162     1.0000     0.0838     0.9713     0.9713    -0.0000
 58   0     0.9157     1.0000     0.0843     0.9735     0.9735     0.0000
 59   0     0.9034     1.0000     0.0966     0.9714     0.9714    -0.0000
 60   0     6.1880     6.0000    -0.1880     3.8813     3.8813    -0.0000
 61   0     6.1472     6.0000    -0.1472     3.8530     3.8530     0.0000
 62   0     6.1308     6.0000    -0.1308     3.9271     3.9271     0.0000
 63   0     6.1696     6.0000    -0.1696     3.8937     3.8937    -0.0000
 64   0     6.1629     6.0000    -0.1629     3.8795     3.8795    -0.0000
 65   0     0.9326     1.0000     0.0674     0.9735     0.9735     0.0000
 66   0     0.9103     1.0000     0.0897     0.9729     0.9729    -0.0000
 67   0     0.9351     1.0000     0.0649     0.9766     0.9766    -0.0000
 68   0     0.9123     1.0000     0.0877     0.9746     0.9746     0.0000
 69   0     0.9102     1.0000     0.0898     0.9779     0.9779     0.0000
 70   0     0.9234     1.0000     0.0766     0.9798     0.9798     0.0000
 71   0     0.9092     1.0000     0.0908     0.9744     0.9744    -0.0000
 72   0     0.9389     1.0000     0.0611     0.9767     0.9767     0.0000
 73   0     0.9069     1.0000     0.0931     0.9791     0.9791    -0.0000
 74   0     0.9226     1.0000     0.0774     0.9786     0.9786    -0.0000
 75   0     6.1486     6.0000    -0.1486     3.9064     3.9064     0.0000
 76   0     6.1655     6.0000    -0.1655     3.8841     3.8841    -0.0000
 77   0     6.1624     6.0000    -0.1624     3.9078     3.9078     0.0000
 78   0     6.1714     6.0000    -0.1714     3.8759     3.8759     0.0000
 79   0     6.1427     6.0000    -0.1427     3.9058     3.9058     0.0000
 80   0     0.9291     1.0000     0.0709     0.9843     0.9843     0.0000
 81   0     0.9104     1.0000     0.0896     0.9726     0.9726    -0.0000
 82   0     0.9307     1.0000     0.0693     0.9761     0.9761    -0.0000
 83   0     0.9118     1.0000     0.0882     0.9740     0.9740    -0.0000
 84   0     0.9164     1.0000     0.0836     0.9742     0.9742     0.0000
 85   0     0.9189     1.0000     0.0811     0.9800     0.9800     0.0000
 86   0     0.9181     1.0000     0.0819     0.9747     0.9747     0.0000
 87   0     0.9347     1.0000     0.0653     0.9806     0.9806     0.0000
 88   0     0.9273     1.0000     0.0727     0.9788     0.9788     0.0000
 89   0     0.9120     1.0000     0.0880     0.9746     0.9746     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                0.987622
                0             6               4            6                0.961379
                0             6               5            1                0.986501
                0             6               6            1                0.996802
                1             6               2            6                0.971927
                1             6               7            1                0.986190
                1             6               8            1                0.992075
                2             6               3            6                0.982306
                2             6               9            1                0.987367
                2             6              10            1                0.991900
                3             6               4            6                0.961710
                3             6              11            1                0.987231
                3             6              12            1                0.997104
                4             6              13            1                0.991782
                4             6              14            1                0.993671
               15             6              16            6                0.995474
               15             6              19            6                0.967143
               15             6              20            1                0.991106
               15             6              21            1                0.993209
               16             6              17            6                0.980209
               16             6              22            1                0.990852
               16             6              23            1                0.981570
               17             6              18            6                0.932554
               17             6              24            1                0.996058
               17             6              25            1                1.000289
               18             6              19            6                0.975381
               18             6              26            1                0.993931
               18             6              27            1                1.001255
               19             6              28            1                0.995090
               19             6              29            1                0.993427
               30             6              31            6                0.974862
               30             6              34            6                0.965966
               30             6              35            1                0.995177
               30             6              36            1                0.994976
               31             6              32            6                0.970427
               31             6              37            1                0.990241
               31             6              38            1                0.991761
               32             6              33            6                0.975821
               32             6              39            1                0.990845
               32             6              40            1                0.996289
               33             6              34            6                0.949817
               33             6              41            1                0.993133
               33             6              42            1                0.990000
               34             6              43            1                0.997189
               34             6              44            1                0.992537
               45             6              46            6                0.980943
               45             6              49            6                0.976762
               45             6              50            1                0.995777
               45             6              51            1                0.995117
               46             6              47            6                0.956456
               46             6              52            1                0.990108
               46             6              53            1                0.995682
               47             6              48            6                0.978432
               47             6              54            1                0.991744
               47             6              55            1                0.987121
               48             6              49            6                0.961224
               48             6              56            1                0.994505
               48             6              57            1                0.985484
               49             6              58            1                0.997635
               49             6              59            1                0.986453
               60             6              61            6                0.944840
               60             6              64            6                0.970082
               60             6              65            1                0.996484
               60             6              66            1                0.993736
               61             6              62            6                0.976200
               61             6              67            1                1.000142
               61             6              68            1                0.989214
               62             6              63            6                0.982043
               62             6              69            1                0.982896
               62             6              70            1                0.991920
               63             6              64            6                0.957754
               63             6              71            1                0.987527
               63             6              72            1                1.000309
               64             6              73            1                0.983174
               64             6              74            1                1.001247
               75             6              76            6                0.961524
               75             6              79            6                0.983204
               75             6              80            1                0.998792
               75             6              81            1                0.987338
               76             6              77            6                0.972407
               76             6              82            1                1.000680
               76             6              83            1                0.993075
               77             6              78            6                0.970300
               77             6              84            1                0.990017
               77             6              85            1                0.989635
               78             6              79            6                0.959886
               78             6              86            1                0.986343
               78             6              87            1                0.999636
               79             6              88            1                0.995050
               79             6              89            1                0.991970
# -----------------------------------------------------------
$ 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     6.1773     6.0000    -0.1773     4.0282     3.7102     0.3180
  1   0     6.1506     6.0000    -0.1506     4.0045     3.6843     0.3202
  2   0     6.1495     6.0000    -0.1495     3.9996     3.6855     0.3141
  3   0     6.2011     6.0000    -0.2011     4.0271     3.6976     0.3295
  4   0     6.1627     6.0000    -0.1627     3.9695     3.6463     0.3232
  5   0     0.9059     1.0000     0.0941     0.9811     0.9286     0.0525
  6   0     0.9163     1.0000     0.0837     0.9910     0.9410     0.0500
  7   0     0.9142     1.0000     0.0858     0.9851     0.9334     0.0517
  8   0     0.9196     1.0000     0.0804     0.9897     0.9372     0.0525
  9   0     0.9129     1.0000     0.0871     0.9886     0.9376     0.0510
 10   0     0.9220     1.0000     0.0780     0.9849     0.9325     0.0524
 11   0     0.9064     1.0000     0.0936     0.9832     0.9307     0.0525
 12   0     0.9191     1.0000     0.0809     0.9821     0.9272     0.0549
 13   0     0.9128     1.0000     0.0872     0.9851     0.9341     0.0510
 14   0     0.9302     1.0000     0.0698     0.9992     0.9445     0.0547
 15   0     6.1457     6.0000    -0.1457     4.0083     3.6870     0.3213
 16   0     6.1774     6.0000    -0.1774     4.0359     3.7112     0.3247
 17   0     6.1654     6.0000    -0.1654     3.9664     3.6419     0.3245
 18   0     6.2084     6.0000    -0.2084     3.9774     3.6572     0.3202
 19   0     6.1901     6.0000    -0.1901     4.0196     3.7004     0.3192
 20   0     0.9089     1.0000     0.0911     0.9909     0.9408     0.0501
 21   0     0.9190     1.0000     0.0810     0.9872     0.9324     0.0548
 22   0     0.9162     1.0000     0.0838     0.9822     0.9284     0.0538
 23   0     0.8967     1.0000     0.1033     0.9806     0.9308     0.0498
 24   0     0.9133     1.0000     0.0867     0.9773     0.9239     0.0534
 25   0     0.9124     1.0000     0.0876     0.9914     0.9393     0.0521
 26   0     0.9115     1.0000     0.0885     0.9728     0.9193     0.0535
 27   0     0.9151     1.0000     0.0849     0.9784     0.9272     0.0512
 28   0     0.9100     1.0000     0.0900     0.9833     0.9340     0.0493
 29   0     0.9029     1.0000     0.0971     0.9774     0.9271     0.0503
 30   0     6.1637     6.0000    -0.1637     4.0214     3.7050     0.3164
 31   0     6.1860     6.0000    -0.1860     4.0090     3.6856     0.3234
 32   0     6.1516     6.0000    -0.1516     4.0057     3.6868     0.3189
 33   0     6.2007     6.0000    -0.2007     3.9957     3.6759     0.3198
 34   0     6.1200     6.0000    -0.1200     3.9522     3.6377     0.3145
 35   0     0.9129     1.0000     0.0871     0.9837     0.9313     0.0524
 36   0     0.9143     1.0000     0.0857     0.9902     0.9419     0.0483
 37   0     0.9095     1.0000     0.0905     0.9855     0.9368     0.0487
 38   0     0.9185     1.0000     0.0815     0.9868     0.9318     0.0550
 39   0     0.9150     1.0000     0.0850     0.9879     0.9355     0.0524
 40   0     0.9110     1.0000     0.0890     0.9839     0.9312     0.0527
 41   0     0.9161     1.0000     0.0839     0.9824     0.9292     0.0532
 42   0     0.9123     1.0000     0.0877     0.9840     0.9320     0.0520
 43   0     0.9395     1.0000     0.0605     1.0009     0.9470     0.0539
 44   0     0.9275     1.0000     0.0725     0.9924     0.9414     0.0510
 45   0     6.1206     6.0000    -0.1206     4.0388     3.7241     0.3147
 46   0     6.1636     6.0000    -0.1636     3.9882     3.6584     0.3298
 47   0     6.1619     6.0000    -0.1619     4.0020     3.6749     0.3271
 48   0     6.2013     6.0000    -0.2013     3.9992     3.6654     0.3338
 49   0     6.2005     6.0000    -0.2005     4.0000     3.6709     0.3291
 50   0     0.9498     1.0000     0.0502     0.9945     0.9390     0.0555
 51   0     0.9013     1.0000     0.0987     0.9842     0.9355     0.0487
 52   0     0.9131     1.0000     0.0869     0.9839     0.9281     0.0558
 53   0     0.9507     1.0000     0.0493     1.0130     0.9556     0.0574
 54   0     0.9065     1.0000     0.0935     0.9860     0.9354     0.0506
 55   0     0.9070     1.0000     0.0930     0.9847     0.9291     0.0556
 56   0     0.9074     1.0000     0.0926     0.9842     0.9318     0.0524
 57   0     0.9126     1.0000     0.0874     0.9809     0.9250     0.0559
 58   0     0.9119     1.0000     0.0881     0.9833     0.9299     0.0534
 59   0     0.8996     1.0000     0.1004     0.9804     0.9296     0.0508
 60   0     6.1965     6.0000    -0.1965     3.9928     3.6697     0.3231
 61   0     6.1546     6.0000    -0.1546     3.9603     3.6452     0.3151
 62   0     6.1382     6.0000    -0.1382     4.0312     3.7185     0.3127
 63   0     6.1773     6.0000    -0.1773     4.0029     3.6812     0.3217
 64   0     6.1703     6.0000    -0.1703     3.9890     3.6661     0.3229
 65   0     0.9287     1.0000     0.0713     0.9835     0.9288     0.0547
 66   0     0.9065     1.0000     0.0935     0.9821     0.9308     0.0513
 67   0     0.9314     1.0000     0.0686     0.9871     0.9329     0.0542
 68   0     0.9084     1.0000     0.0916     0.9837     0.9330     0.0507
 69   0     0.9063     1.0000     0.0937     0.9869     0.9356     0.0513
 70   0     0.9195     1.0000     0.0805     0.9894     0.9387     0.0507
 71   0     0.9055     1.0000     0.0945     0.9837     0.9331     0.0506
 72   0     0.9349     1.0000     0.0651     0.9867     0.9304     0.0563
 73   0     0.9030     1.0000     0.0970     0.9881     0.9370     0.0511
 74   0     0.9188     1.0000     0.0812     0.9883     0.9356     0.0527
 75   0     6.1560     6.0000    -0.1560     4.0120     3.6978     0.3142
 76   0     6.1731     6.0000    -0.1731     3.9935     3.6787     0.3148
 77   0     6.1699     6.0000    -0.1699     4.0156     3.6936     0.3220
 78   0     6.1788     6.0000    -0.1788     3.9858     3.6606     0.3252
 79   0     6.1506     6.0000    -0.1506     4.0125     3.6989     0.3136
 80   0     0.9254     1.0000     0.0746     0.9941     0.9445     0.0496
 81   0     0.9066     1.0000     0.0934     0.9817     0.9300     0.0517
 82   0     0.9269     1.0000     0.0731     0.9860     0.9334     0.0526
 83   0     0.9081     1.0000     0.0919     0.9832     0.9339     0.0493
 84   0     0.9126     1.0000     0.0874     0.9836     0.9300     0.0536
 85   0     0.9152     1.0000     0.0848     0.9896     0.9374     0.0522
 86   0     0.9145     1.0000     0.0855     0.9846     0.9314     0.0532
 87   0     0.9307     1.0000     0.0693     0.9906     0.9357     0.0549
 88   0     0.9235     1.0000     0.0765     0.9887     0.9369     0.0518
 89   0     0.9080     1.0000     0.0920     0.9836     0.9354     0.0482
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.923711
                0             6               4            6                0.901202
                0             6               5            1                0.944524
                0             6               6            1                0.957469
                1             6               2            6                0.909440
                1             6               7            1                0.945494
                1             6               8            1                0.950418
                2             6               3            6                0.921786
                2             6               9            1                0.947323
                2             6              10            1                0.950400
                3             6               4            6                0.894437
                3             6              11            1                0.945533
                3             6              12            1                0.952851
                4             6              13            1                0.951438
                4             6              14            1                0.950502
               15             6              16            6                0.932375
               15             6              19            6                0.902482
               15             6              20            1                0.951522
               15             6              21            1                0.949846
               16             6              17            6                0.914119
               16             6              22            1                0.947290
               16             6              23            1                0.942250
               17             6              18            6                0.874396
               17             6              24            1                0.953077
               17             6              25            1                0.958836
               18             6              19            6                0.915288
               18             6              26            1                0.950856
               18             6              27            1                0.960243
               19             6              28            1                0.955994
               19             6              29            1                0.952949
               30             6              31            6                0.910431
               30             6              34            6                0.904232
               30             6              35            1                0.953522
               30             6              36            1                0.957128
               31             6              32            6                0.906501
               31             6              37            1                0.952150
               31             6              38            1                0.947573
               32             6              33            6                0.915288
               32             6              39            1                0.949289
               32             6              40            1                0.954053
               33             6              34            6                0.888907
               33             6              41            1                0.950491
               33             6              42            1                0.948671
               34             6              43            1                0.954493
               34             6              44            1                0.952624
               45             6              46            6                0.918551
               45             6              49            6                0.913385
               45             6              50            1                0.953083
               45             6              51            1                0.956231
               46             6              47            6                0.892558
               46             6              52            1                0.944818
               46             6              53            1                0.950578
               47             6              48            6                0.913168
               47             6              54            1                0.951678
               47             6              55            1                0.942244
               48             6              49            6                0.894827
               48             6              56            1                0.952687
               48             6              57            1                0.940705
               49             6              58            1                0.954970
               49             6              59            1                0.946158
               60             6              61            6                0.884947
               60             6              64            6                0.905794
               60             6              65            1                0.953061
               60             6              66            1                0.953036
               61             6              62            6                0.913884
               61             6              67            1                0.957505
               61             6              68            1                0.949100
               62             6              63            6                0.920867
               62             6              69            1                0.942272
               62             6              70            1                0.952023
               63             6              64            6                0.894899
               63             6              71            1                0.947673
               63             6              72            1                0.955203
               64             6              73            1                0.942617
               64             6              74            1                0.959048
               75             6              76            6                0.900399
               75             6              79            6                0.919402
               75             6              80            1                0.960008
               75             6              81            1                0.946136
               76             6              77            6                0.911350
               76             6              82            1                0.958999
               76             6              83            1                0.954377
               77             6              78            6                0.905138
               77             6              84            1                0.947110
               77             6              85            1                0.948449
               78             6              79            6                0.898620
               78             6              86            1                0.944469
               78             6              87            1                0.955734
               79             6              88            1                0.954357
               79             6              89            1                0.954024
# -----------------------------------------------------------
$ 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     6.2266     6.0000    -0.2266     4.0180     3.7041     0.3139
  1   0     6.2022     6.0000    -0.2022     3.9837     3.6674     0.3163
  2   0     6.2002     6.0000    -0.2002     3.9817     3.6718     0.3099
  3   0     6.2455     6.0000    -0.2455     4.0056     3.6804     0.3252
  4   0     6.2144     6.0000    -0.2144     3.9726     3.6537     0.3189
  5   0     0.8835     1.0000     0.1165     0.9740     0.9224     0.0516
  6   0     0.8895     1.0000     0.1105     0.9810     0.9321     0.0489
  7   0     0.8912     1.0000     0.1088     0.9787     0.9279     0.0508
  8   0     0.8942     1.0000     0.1058     0.9805     0.9291     0.0514
  9   0     0.8874     1.0000     0.1126     0.9797     0.9298     0.0499
 10   0     0.8971     1.0000     0.1029     0.9772     0.9258     0.0514
 11   0     0.8844     1.0000     0.1156     0.9756     0.9241     0.0515
 12   0     0.8932     1.0000     0.1068     0.9738     0.9201     0.0537
 13   0     0.8899     1.0000     0.1101     0.9779     0.9280     0.0499
 14   0     0.9004     1.0000     0.0996     0.9869     0.9336     0.0533
 15   0     6.1963     6.0000    -0.1963     3.9858     3.6685     0.3173
 16   0     6.2283     6.0000    -0.2283     4.0185     3.6982     0.3203
 17   0     6.2198     6.0000    -0.2198     3.9568     3.6365     0.3203
 18   0     6.2668     6.0000    -0.2668     3.9670     3.6513     0.3157
 19   0     6.2383     6.0000    -0.2383     3.9841     3.6689     0.3152
 20   0     0.8850     1.0000     0.1150     0.9848     0.9358     0.0490
 21   0     0.8938     1.0000     0.1062     0.9820     0.9285     0.0535
 22   0     0.8916     1.0000     0.1084     0.9745     0.9217     0.0528
 23   0     0.8736     1.0000     0.1264     0.9768     0.9281     0.0487
 24   0     0.8878     1.0000     0.1122     0.9690     0.9168     0.0522
 25   0     0.8847     1.0000     0.1153     0.9857     0.9349     0.0508
 26   0     0.8848     1.0000     0.1152     0.9672     0.9150     0.0522
 27   0     0.8847     1.0000     0.1153     0.9718     0.9220     0.0498
 28   0     0.8850     1.0000     0.1150     0.9773     0.9293     0.0480
 29   0     0.8761     1.0000     0.1239     0.9714     0.9224     0.0490
 30   0     6.2130     6.0000    -0.2130     3.9961     3.6836     0.3125
 31   0     6.2339     6.0000    -0.2339     3.9922     3.6728     0.3194
 32   0     6.2018     6.0000    -0.2018     3.9886     3.6738     0.3148
 33   0     6.2468     6.0000    -0.2468     3.9761     3.6607     0.3154
 34   0     6.1870     6.0000    -0.1870     3.9415     3.6309     0.3106
 35   0     0.8896     1.0000     0.1104     0.9765     0.9251     0.0514
 36   0     0.8889     1.0000     0.1111     0.9834     0.9362     0.0472
 37   0     0.8861     1.0000     0.1139     0.9789     0.9311     0.0478
 38   0     0.8931     1.0000     0.1069     0.9774     0.9234     0.0540
 39   0     0.8901     1.0000     0.1099     0.9799     0.9286     0.0513
 40   0     0.8881     1.0000     0.1119     0.9765     0.9247     0.0518
 41   0     0.8899     1.0000     0.1101     0.9751     0.9231     0.0520
 42   0     0.8845     1.0000     0.1155     0.9757     0.9250     0.0507
 43   0     0.9086     1.0000     0.0914     0.9929     0.9403     0.0526
 44   0     0.8968     1.0000     0.1032     0.9848     0.9351     0.0497
 45   0     6.1823     6.0000    -0.1823     4.0270     3.7163     0.3107
 46   0     6.2161     6.0000    -0.2161     3.9825     3.6574     0.3251
 47   0     6.2121     6.0000    -0.2121     3.9909     3.6681     0.3228
 48   0     6.2449     6.0000    -0.2449     3.9841     3.6546     0.3295
 49   0     6.2438     6.0000    -0.2438     3.9850     3.6601     0.3249
 50   0     0.9209     1.0000     0.0791     0.9915     0.9374     0.0541
 51   0     0.8787     1.0000     0.1213     0.9750     0.9273     0.0477
 52   0     0.8889     1.0000     0.1111     0.9744     0.9197     0.0547
 53   0     0.9146     1.0000     0.0854     1.0017     0.9459     0.0558
 54   0     0.8838     1.0000     0.1162     0.9777     0.9281     0.0496
 55   0     0.8828     1.0000     0.1172     0.9768     0.9224     0.0544
 56   0     0.8824     1.0000     0.1176     0.9747     0.9234     0.0513
 57   0     0.8894     1.0000     0.1106     0.9734     0.9185     0.0549
 58   0     0.8878     1.0000     0.1122     0.9735     0.9211     0.0524
 59   0     0.8770     1.0000     0.1230     0.9731     0.9234     0.0497
 60   0     6.2437     6.0000    -0.2437     3.9699     3.6509     0.3190
 61   0     6.2011     6.0000    -0.2011     3.9436     3.6328     0.3108
 62   0     6.1889     6.0000    -0.1889     4.0138     3.7050     0.3088
 63   0     6.2328     6.0000    -0.2328     3.9935     3.6760     0.3175
 64   0     6.2177     6.0000    -0.2177     3.9731     3.6543     0.3188
 65   0     0.9014     1.0000     0.0986     0.9752     0.9216     0.0536
 66   0     0.8825     1.0000     0.1175     0.9753     0.9251     0.0502
 67   0     0.9056     1.0000     0.0944     0.9782     0.9250     0.0532
 68   0     0.8856     1.0000     0.1144     0.9773     0.9276     0.0497
 69   0     0.8840     1.0000     0.1160     0.9800     0.9297     0.0503
 70   0     0.8957     1.0000     0.1043     0.9821     0.9323     0.0498
 71   0     0.8819     1.0000     0.1181     0.9764     0.9268     0.0496
 72   0     0.9037     1.0000     0.0963     0.9782     0.9233     0.0549
 73   0     0.8820     1.0000     0.1180     0.9822     0.9321     0.0501
 74   0     0.8933     1.0000     0.1067     0.9790     0.9275     0.0515
 75   0     6.2064     6.0000    -0.2064     3.9881     3.6776     0.3105
 76   0     6.2312     6.0000    -0.2312     3.9792     3.6683     0.3109
 77   0     6.2150     6.0000    -0.2150     3.9939     3.6760     0.3179
 78   0     6.2345     6.0000    -0.2345     3.9745     3.6535     0.3210
 79   0     6.2046     6.0000    -0.2046     3.9896     3.6798     0.3098
 80   0     0.8980     1.0000     0.1020     0.9849     0.9364     0.0485
 81   0     0.8838     1.0000     0.1162     0.9753     0.9245     0.0508
 82   0     0.8965     1.0000     0.1035     0.9742     0.9228     0.0514
 83   0     0.8813     1.0000     0.1187     0.9760     0.9278     0.0482
 84   0     0.8889     1.0000     0.1111     0.9761     0.9234     0.0527
 85   0     0.8907     1.0000     0.1093     0.9831     0.9320     0.0511
 86   0     0.8870     1.0000     0.1130     0.9782     0.9262     0.0520
 87   0     0.9019     1.0000     0.0981     0.9806     0.9269     0.0537
 88   0     0.8970     1.0000     0.1030     0.9795     0.9287     0.0508
 89   0     0.8830     1.0000     0.1170     0.9776     0.9305     0.0471
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.929902
                0             6               4            6                0.918988
                0             6               5            1                0.931195
                0             6               6            1                0.945436
                1             6               2            6                0.916049
                1             6               7            1                0.933227
                1             6               8            1                0.936565
                2             6               3            6                0.931568
                2             6               9            1                0.934424
                2             6              10            1                0.937344
                3             6               4            6                0.902437
                3             6              11            1                0.931804
                3             6              12            1                0.937586
                4             6              13            1                0.941223
                4             6              14            1                0.934975
               15             6              16            6                0.939322
               15             6              19            6                0.905172
               15             6              20            1                0.939765
               15             6              21            1                0.936692
               16             6              17            6                0.917370
               16             6              22            1                0.934482
               16             6              23            1                0.932059
               17             6              18            6                0.891736
               17             6              24            1                0.938201
               17             6              25            1                0.942796
               18             6              19            6                0.915098
               18             6              26            1                0.935779
               18             6              27            1                0.947571
               19             6              28            1                0.944228
               19             6              29            1                0.939522
               30             6              31            6                0.914449
               30             6              34            6                0.912305
               30             6              35            1                0.938422
               30             6              36            1                0.948269
               31             6              32            6                0.914760
               31             6              37            1                0.942526
               31             6              38            1                0.933263
               32             6              33            6                0.925886
               32             6              39            1                0.936523
               32             6              40            1                0.939745
               33             6              34            6                0.894674
               33             6              41            1                0.937042
               33             6              42            1                0.935716
               34             6              43            1                0.940128
               34             6              44            1                0.942602
               45             6              46            6                0.927742
               45             6              49            6                0.922782
               45             6              50            1                0.940459
               45             6              51            1                0.942273
               46             6              47            6                0.906931
               46             6              52            1                0.930035
               46             6              53            1                0.936117
               47             6              48            6                0.920753
               47             6              54            1                0.940274
               47             6              55            1                0.927380
               48             6              49            6                0.904601
               48             6              56            1                0.940007
               48             6              57            1                0.926656
               49             6              58            1                0.939510
               49             6              59            1                0.933315
               60             6              61            6                0.892821
               60             6              64            6                0.910365
               60             6              65            1                0.940442
               60             6              66            1                0.940197
               61             6              62            6                0.922585
               61             6              67            1                0.940375
               61             6              68            1                0.938435
               62             6              63            6                0.929762
               62             6              69            1                0.929508
               62             6              70            1                0.941324
               63             6              64            6                0.906409
               63             6              71            1                0.934332
               63             6              72            1                0.940953
               64             6              73            1                0.932685
               64             6              74            1                0.946032
               75             6              76            6                0.907653
               75             6              79            6                0.921187
               75             6              80            1                0.949488
               75             6              81            1                0.934147
               76             6              77            6                0.920085
               76             6              82            1                0.944559
               76             6              83            1                0.943605
               77             6              78            6                0.911780
               77             6              84            1                0.934035
               77             6              85            1                0.937242
               78             6              79            6                0.908303
               78             6              86            1                0.932866
               78             6              87            1                0.941515
               79             6              88            1                0.940596
               79             6              89            1                0.945513
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2342970542
        Correlation Energy:       -5.0552262274
        Total MP2 Energy:      -1176.2895232817
# -----------------------------------------------------------
$ 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) :        0.2686058542
        Electronic Contribution:
                  0    
      0       0.352131
      1       0.601581
      2      -0.386781
        Nuclear Contribution:
                  0    
      0      -0.249035
      1      -0.578404
      2       0.385603
        Total Dipole moment:
                  0    
      0       0.103096
      1       0.023177
      2      -0.001179
# -----------------------------------------------------------
$ 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) :        0.2661754485
        Electronic Contribution:
                  0    
      0       0.351501
      1       0.600007
      2      -0.386056
        Nuclear Contribution:
                  0    
      0      -0.249035
      1      -0.578404
      2       0.385603
        Total Dipole moment:
                  0    
      0       0.102466
      1       0.021603
      2      -0.000453
# -----------------------------------------------------------
$ 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) :        0.1863570776
        Electronic Contribution:
                  0    
      0       0.320380
      1       0.561673
      2      -0.383291
        Nuclear Contribution:
                  0    
      0      -0.249035
      1      -0.578404
      2       0.385603
        Total Dipole moment:
                  0    
      0       0.071345
      1      -0.016731
      2       0.002311
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     20.720000000000   20.300000000000   15.660000000000
               1 C     21.160000000000   18.850000000000   16.030000000000
               2 C     19.880000000000   18.130000000000   16.480000000000
               3 C     18.980000000000   19.180000000000   17.070000000000
               4 C     19.450000000000   20.590000000000   16.440000000000
               5 H     20.670000000000   20.390000000000   14.550000000000
               6 H     21.470000000000   20.980000000000   15.950000000000
               7 H     21.910000000000   18.810000000000   16.830000000000
               8 H     21.530000000000   18.320000000000   15.140000000000
               9 H     20.090000000000   17.330000000000   17.180000000000
              10 H     19.400000000000   17.680000000000   15.600000000000
              11 H     18.950000000000   19.170000000000   18.180000000000
              12 H     17.920000000000   18.980000000000   16.740000000000
              13 H     19.590000000000   21.360000000000   17.170000000000
              14 H     18.590000000000   20.970000000000   15.860000000000
              15 C     15.660000000000   24.200000000000   14.390000000000
              16 C     15.270000000000   24.960000000000   15.660000000000
              17 C     15.900000000000   24.150000000000   16.860000000000
              18 C     16.790000000000   23.110000000000   16.270000000000
              19 C     16.820000000000   23.210000000000   14.790000000000
              20 H     15.930000000000   24.870000000000   13.600000000000
              21 H     14.810000000000   23.540000000000   14.080000000000
              22 H     14.170000000000   24.810000000000   15.810000000000
              23 H     15.570000000000   25.990000000000   15.650000000000
              24 H     15.070000000000   23.680000000000   17.420000000000
              25 H     16.360000000000   24.710000000000   17.670000000000
              26 H     16.580000000000   22.060000000000   16.570000000000
              27 H     17.770000000000   23.210000000000   16.660000000000
              28 H     16.680000000000   22.250000000000   14.380000000000
              29 H     17.780000000000   23.590000000000   14.480000000000
              30 C     16.840000000000   28.740000000000   20.200000000000
              31 C     15.740000000000   29.860000000000   20.120000000000
              32 C     14.990000000000   29.550000000000   18.790000000000
              33 C     15.800000000000   28.570000000000   17.960000000000
              34 C     16.940000000000   28.080000000000   18.820000000000
              35 H     16.520000000000   27.990000000000   20.950000000000
              36 H     17.770000000000   29.120000000000   20.440000000000
              37 H     16.170000000000   30.810000000000   20.170000000000
              38 H     15.000000000000   29.780000000000   20.990000000000
              39 H     14.820000000000   30.510000000000   18.280000000000
              40 H     14.010000000000   29.120000000000   19.090000000000
              41 H     16.250000000000   29.000000000000   17.040000000000
              42 H     15.170000000000   27.750000000000   17.610000000000
              43 H     17.860000000000   28.330000000000   18.270000000000
              44 H     16.900000000000   27.030000000000   18.890000000000
              45 C     19.280000000000   27.610000000000   15.740000000000
              46 C     19.220000000000   26.120000000000   15.400000000000
              47 C     20.590000000000   25.440000000000   15.760000000000
              48 C     21.350000000000   26.440000000000   16.710000000000
              49 C     20.630000000000   27.850000000000   16.480000000000
              50 H     18.460000000000   27.880000000000   16.390000000000
              51 H     19.190000000000   28.260000000000   14.910000000000
              52 H     18.920000000000   26.060000000000   14.300000000000
              53 H     18.370000000000   25.580000000000   15.910000000000
              54 H     21.170000000000   25.290000000000   14.870000000000
              55 H     20.490000000000   24.430000000000   16.310000000000
              56 H     22.420000000000   26.450000000000   16.460000000000
              57 H     21.330000000000   26.090000000000   17.810000000000
              58 H     21.410000000000   28.370000000000   15.900000000000
              59 H     20.580000000000   28.470000000000   17.360000000000
              60 C     11.820000000000   25.690000000000   11.070000000000
              61 C     10.660000000000   25.000000000000   10.450000000000
              62 C     10.860000000000   23.480000000000   10.500000000000
              63 C     12.330000000000   23.250000000000   10.830000000000
              64 C     12.860000000000   24.560000000000   11.430000000000
              65 H     11.420000000000   26.180000000000   11.990000000000
              66 H     12.180000000000   26.530000000000   10.470000000000
              67 H     10.800000000000   25.350000000000    9.420000000000
              68 H      9.730000000000   25.390000000000   10.860000000000
              69 H     10.530000000000   23.070000000000    9.530000000000
              70 H     10.270000000000   23.140000000000   11.330000000000
              71 H     13.060000000000   22.960000000000   10.100000000000
              72 H     12.390000000000   22.420000000000   11.610000000000
              73 H     13.900000000000   24.790000000000   11.150000000000
              74 H     12.790000000000   24.390000000000   12.500000000000
              75 C     12.500000000000   18.140000000000   15.470000000000
              76 C     13.940000000000   17.910000000000   15.040000000000
              77 C     14.490000000000   19.180000000000   14.390000000000
              78 C     13.480000000000   20.330000000000   14.760000000000
              79 C     12.250000000000   19.680000000000   15.370000000000
              80 H     12.440000000000   17.900000000000   16.480000000000
              81 H     11.830000000000   17.480000000000   14.880000000000
              82 H     13.960000000000   17.110000000000   14.320000000000
              83 H     14.480000000000   17.410000000000   15.780000000000
              84 H     14.500000000000   19.060000000000   13.270000000000
              85 H     15.490000000000   19.440000000000   14.740000000000
              86 H     13.240000000000   21.030000000000   13.940000000000
              87 H     13.980000000000   20.930000000000   15.560000000000
              88 H     11.430000000000   19.850000000000   14.690000000000
              89 H     12.020000000000   20.150000000000   16.270000000000
