-------------------------------------------------------------
----------------------- !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:    -1171.2046719459
# -----------------------------------------------------------
$ 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     6.1439     6.0000    -0.1439     3.8916     3.8916     0.0000
  1   0     6.1919     6.0000    -0.1919     3.8954     3.8954     0.0000
  2   0     6.0837     6.0000    -0.0837     3.9009     3.9009     0.0000
  3   0     6.2230     6.0000    -0.2230     3.9171     3.9171    -0.0000
  4   0     6.1231     6.0000    -0.1231     3.8885     3.8885    -0.0000
  5   0     0.9298     1.0000     0.0702     0.9744     0.9744     0.0000
  6   0     0.9365     1.0000     0.0635     0.9868     0.9868     0.0000
  7   0     0.8946     1.0000     0.1054     0.9664     0.9664     0.0000
  8   0     0.9374     1.0000     0.0626     0.9927     0.9927     0.0000
  9   0     0.9280     1.0000     0.0720     0.9930     0.9930     0.0000
 10   0     0.9352     1.0000     0.0648     0.9909     0.9909     0.0000
 11   0     0.9212     1.0000     0.0788     0.9754     0.9754    -0.0000
 12   0     0.9129     1.0000     0.0871     0.9721     0.9721     0.0000
 13   0     0.9040     1.0000     0.0960     0.9764     0.9764    -0.0000
 14   0     0.9380     1.0000     0.0620     0.9803     0.9803     0.0000
 15   0     6.1768     6.0000    -0.1768     3.8709     3.8709     0.0000
 16   0     6.1782     6.0000    -0.1782     3.8909     3.8909     0.0000
 17   0     6.1562     6.0000    -0.1562     3.8806     3.8806     0.0000
 18   0     6.1753     6.0000    -0.1753     3.9025     3.9025     0.0000
 19   0     6.1068     6.0000    -0.1068     3.8832     3.8832    -0.0000
 20   0     0.9187     1.0000     0.0813     0.9745     0.9745    -0.0000
 21   0     0.9199     1.0000     0.0801     0.9708     0.9708    -0.0000
 22   0     0.9081     1.0000     0.0919     0.9749     0.9749     0.0000
 23   0     0.9266     1.0000     0.0734     0.9796     0.9796     0.0000
 24   0     0.9161     1.0000     0.0839     0.9812     0.9812    -0.0000
 25   0     0.9178     1.0000     0.0822     0.9762     0.9762     0.0000
 26   0     0.9014     1.0000     0.0986     0.9711     0.9711    -0.0000
 27   0     0.9270     1.0000     0.0730     0.9818     0.9818     0.0000
 28   0     0.9682     1.0000     0.0318     1.0058     1.0058     0.0000
 29   0     0.9054     1.0000     0.0946     0.9716     0.9716    -0.0000
 30   0     6.1963     6.0000    -0.1963     3.8729     3.8729    -0.0000
 31   0     6.1549     6.0000    -0.1549     3.9029     3.9029    -0.0000
 32   0     6.1548     6.0000    -0.1548     3.8994     3.8994    -0.0000
 33   0     6.1897     6.0000    -0.1897     3.8780     3.8780     0.0000
 34   0     6.1225     6.0000    -0.1225     3.8459     3.8459    -0.0000
 35   0     0.9193     1.0000     0.0807     0.9729     0.9729    -0.0000
 36   0     0.9147     1.0000     0.0853     0.9732     0.9732     0.0000
 37   0     0.9056     1.0000     0.0944     0.9735     0.9735    -0.0000
 38   0     0.9201     1.0000     0.0799     0.9766     0.9766    -0.0000
 39   0     0.9074     1.0000     0.0926     0.9711     0.9711    -0.0000
 40   0     0.9218     1.0000     0.0782     0.9781     0.9781    -0.0000
 41   0     0.9192     1.0000     0.0808     0.9699     0.9699     0.0000
 42   0     0.9037     1.0000     0.0963     0.9720     0.9720     0.0000
 43   0     0.9174     1.0000     0.0826     0.9747     0.9747     0.0000
 44   0     0.9493     1.0000     0.0507     0.9943     0.9943    -0.0000
 45   0     6.1647     6.0000    -0.1647     3.8897     3.8897     0.0000
 46   0     6.1320     6.0000    -0.1320     3.9160     3.9160     0.0000
 47   0     6.1897     6.0000    -0.1897     3.9143     3.9143    -0.0000
 48   0     6.2221     6.0000    -0.2221     3.8805     3.8805    -0.0000
 49   0     6.1490     6.0000    -0.1490     3.8980     3.8980    -0.0000
 50   0     0.9284     1.0000     0.0716     0.9810     0.9810    -0.0000
 51   0     0.9196     1.0000     0.0804     0.9760     0.9760     0.0000
 52   0     0.9123     1.0000     0.0877     0.9751     0.9751     0.0000
 53   0     0.9107     1.0000     0.0893     0.9799     0.9799     0.0000
 54   0     0.9148     1.0000     0.0852     0.9764     0.9764     0.0000
 55   0     0.9099     1.0000     0.0901     0.9774     0.9774     0.0000
 56   0     0.9076     1.0000     0.0924     0.9707     0.9707    -0.0000
 57   0     0.9163     1.0000     0.0837     0.9725     0.9725    -0.0000
 58   0     0.9141     1.0000     0.0859     0.9708     0.9708    -0.0000
 59   0     0.9106     1.0000     0.0894     0.9795     0.9795     0.0000
 60   0     6.1840     6.0000    -0.1840     3.9190     3.9190     0.0000
 61   0     6.1549     6.0000    -0.1549     3.8545     3.8545     0.0000
 62   0     6.1977     6.0000    -0.1977     3.8919     3.8919    -0.0000
 63   0     6.1696     6.0000    -0.1696     3.8982     3.8982    -0.0000
 64   0     6.1468     6.0000    -0.1468     3.8957     3.8957    -0.0000
 65   0     0.9136     1.0000     0.0864     0.9743     0.9743     0.0000
 66   0     0.9101     1.0000     0.0899     0.9760     0.9760     0.0000
 67   0     0.8964     1.0000     0.1036     0.9704     0.9704     0.0000
 68   0     0.9449     1.0000     0.0551     0.9952     0.9952     0.0000
 69   0     0.9223     1.0000     0.0777     0.9744     0.9744    -0.0000
 70   0     0.8923     1.0000     0.1077     0.9605     0.9605    -0.0000
 71   0     0.9186     1.0000     0.0814     0.9734     0.9734    -0.0000
 72   0     0.9102     1.0000     0.0898     0.9800     0.9800     0.0000
 73   0     0.9207     1.0000     0.0793     0.9781     0.9781    -0.0000
 74   0     0.9135     1.0000     0.0865     0.9737     0.9737     0.0000
 75   0     6.1668     6.0000    -0.1668     3.8810     3.8810    -0.0000
 76   0     6.1526     6.0000    -0.1526     3.8686     3.8686    -0.0000
 77   0     6.1538     6.0000    -0.1538     3.9023     3.9023    -0.0000
 78   0     6.1451     6.0000    -0.1451     3.9156     3.9156     0.0000
 79   0     6.1763     6.0000    -0.1763     3.8860     3.8860    -0.0000
 80   0     0.9211     1.0000     0.0789     0.9891     0.9891    -0.0000
 81   0     0.9126     1.0000     0.0874     0.9775     0.9775    -0.0000
 82   0     0.9241     1.0000     0.0759     0.9821     0.9821    -0.0000
 83   0     0.9317     1.0000     0.0683     0.9792     0.9792    -0.0000
 84   0     0.9205     1.0000     0.0795     0.9717     0.9717    -0.0000
 85   0     0.9255     1.0000     0.0745     0.9778     0.9778    -0.0000
 86   0     0.9321     1.0000     0.0679     0.9850     0.9850     0.0000
 87   0     0.9073     1.0000     0.0927     0.9684     0.9684     0.0000
 88   0     0.8956     1.0000     0.1044     0.9693     0.9693     0.0000
 89   0     0.9347     1.0000     0.0653     0.9776     0.9776    -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                0.963530
                0             6               4            6                0.972357
                0             6               5            1                0.997666
                0             6               6            1                0.989679
                1             6               2            6                0.970388
                1             6               7            1                0.988646
                1             6               8            1                0.991859
                2             6               3            6                0.972709
                2             6               9            1                0.992583
                2             6              10            1                1.001851
                3             6               4            6                0.964261
                3             6              11            1                0.993896
                3             6              12            1                0.997362
                4             6              13            1                0.985568
                4             6              14            1                1.003160
               15             6              16            6                0.960609
               15             6              19            6                0.963057
               15             6              20            1                0.989775
               15             6              21            1                0.997380
               16             6              17            6                0.966831
               16             6              22            1                0.987071
               16             6              23            1                0.999511
               17             6              18            6                0.961686
               17             6              24            1                0.987570
               17             6              25            1                0.999433
               18             6              19            6                0.976861
               18             6              26            1                0.985136
               18             6              27            1                1.002605
               19             6              28            1                0.994771
               19             6              29            1                0.980977
               30             6              31            6                0.958131
               30             6              34            6                0.951726
               30             6              35            1                1.001940
               30             6              36            1                0.987850
               31             6              32            6                0.977698
               31             6              37            1                0.983320
               31             6              38            1                0.999164
               32             6              33            6                0.968653
               32             6              39            1                0.987154
               32             6              40            1                0.990201
               33             6              34            6                0.949646
               33             6              41            1                0.996930
               33             6              42            1                0.986047
               34             6              43            1                0.998233
               34             6              44            1                0.998954
               45             6              46            6                0.968429
               45             6              49            6                0.978921
               45             6              50            1                0.990536
               45             6              51            1                0.994671
               46             6              47            6                0.980598
               46             6              52            1                0.995277
               46             6              53            1                0.992489
               47             6              48            6                0.972079
               47             6              54            1                0.993757
               47             6              55            1                0.987800
               48             6              49            6                0.963403
               48             6              56            1                0.992798
               48             6              57            1                0.982683
               49             6              58            1                0.994125
               49             6              59            1                0.989190
               60             6              61            6                0.960932
               60             6              64            6                0.985972
               60             6              65            1                0.990987
               60             6              66            1                0.990538
               61             6              62            6                0.955320
               61             6              67            1                0.980547
               61             6              68            1                1.010568
               62             6              63            6                0.972931
               62             6              69            1                0.991719
               62             6              70            1                0.984315
               63             6              64            6                0.976303
               63             6              71            1                0.991399
               63             6              72            1                0.988371
               64             6              73            1                0.990507
               64             6              74            1                0.985143
               75             6              76            6                0.969075
               75             6              79            6                0.953415
               75             6              80            1                1.002554
               75             6              81            1                0.985117
               76             6              77            6                0.957779
               76             6              82            1                0.991531
               76             6              83            1                0.988954
               77             6              78            6                0.986906
               77             6              84            1                1.004313
               77             6              85            1                0.987512
               78             6              79            6                0.974309
               78             6              86            1                0.991502
               78             6              87            1                0.984420
               79             6              88            1                0.981701
               79             6              89            1                1.005631
# -----------------------------------------------------------
$ 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     6.1528     6.0000    -0.1528     4.0020     3.6805     0.3215
  1   0     6.1988     6.0000    -0.1988     4.0061     3.6803     0.3258
  2   0     6.0918     6.0000    -0.0918     4.0066     3.6833     0.3233
  3   0     6.2309     6.0000    -0.2309     4.0296     3.7029     0.3267
  4   0     6.1306     6.0000    -0.1306     3.9956     3.6771     0.3185
  5   0     0.9257     1.0000     0.0743     0.9846     0.9329     0.0517
  6   0     0.9326     1.0000     0.0674     0.9972     0.9444     0.0528
  7   0     0.8904     1.0000     0.1096     0.9746     0.9234     0.0512
  8   0     0.9338     1.0000     0.0662     1.0035     0.9490     0.0545
  9   0     0.9240     1.0000     0.0760     1.0024     0.9477     0.0547
 10   0     0.9313     1.0000     0.0687     1.0008     0.9469     0.0539
 11   0     0.9174     1.0000     0.0826     0.9851     0.9298     0.0553
 12   0     0.9090     1.0000     0.0910     0.9812     0.9297     0.0515
 13   0     0.9000     1.0000     0.1000     0.9853     0.9335     0.0518
 14   0     0.9344     1.0000     0.0656     0.9909     0.9375     0.0534
 15   0     6.1842     6.0000    -0.1842     3.9811     3.6579     0.3232
 16   0     6.1860     6.0000    -0.1860     4.0013     3.6808     0.3205
 17   0     6.1636     6.0000    -0.1636     3.9886     3.6697     0.3189
 18   0     6.1832     6.0000    -0.1832     4.0133     3.6910     0.3223
 19   0     6.1142     6.0000    -0.1142     3.9883     3.6701     0.3182
 20   0     0.9147     1.0000     0.0853     0.9840     0.9304     0.0536
 21   0     0.9162     1.0000     0.0838     0.9810     0.9273     0.0537
 22   0     0.9044     1.0000     0.0956     0.9840     0.9329     0.0511
 23   0     0.9227     1.0000     0.0773     0.9893     0.9383     0.0510
 24   0     0.9124     1.0000     0.0876     0.9907     0.9396     0.0511
 25   0     0.9141     1.0000     0.0859     0.9856     0.9353     0.0503
 26   0     0.8979     1.0000     0.1021     0.9805     0.9294     0.0511
 27   0     0.9229     1.0000     0.0771     0.9914     0.9393     0.0521
 28   0     0.9644     1.0000     0.0356     1.0168     0.9605     0.0563
 29   0     0.9016     1.0000     0.0984     0.9806     0.9291     0.0515
 30   0     6.2043     6.0000    -0.2043     3.9846     3.6610     0.3236
 31   0     6.1628     6.0000    -0.1628     4.0111     3.6944     0.3167
 32   0     6.1625     6.0000    -0.1625     4.0070     3.6907     0.3163
 33   0     6.1975     6.0000    -0.1975     3.9891     3.6664     0.3227
 34   0     6.1301     6.0000    -0.1301     3.9530     3.6339     0.3191
 35   0     0.9154     1.0000     0.0846     0.9822     0.9298     0.0524
 36   0     0.9108     1.0000     0.0892     0.9826     0.9292     0.0534
 37   0     0.9017     1.0000     0.0983     0.9825     0.9315     0.0510
 38   0     0.9162     1.0000     0.0838     0.9859     0.9346     0.0513
 39   0     0.9034     1.0000     0.0966     0.9800     0.9273     0.0527
 40   0     0.9180     1.0000     0.0820     0.9877     0.9346     0.0531
 41   0     0.9153     1.0000     0.0847     0.9797     0.9251     0.0546
 42   0     0.8998     1.0000     0.1002     0.9809     0.9290     0.0519
 43   0     0.9135     1.0000     0.0865     0.9840     0.9318     0.0522
 44   0     0.9459     1.0000     0.0541     1.0058     0.9525     0.0533
 45   0     6.1724     6.0000    -0.1724     4.0013     3.6793     0.3220
 46   0     6.1403     6.0000    -0.1403     4.0245     3.7019     0.3226
 47   0     6.1966     6.0000    -0.1966     4.0240     3.6995     0.3245
 48   0     6.2292     6.0000    -0.2292     3.9966     3.6599     0.3367
 49   0     6.1573     6.0000    -0.1573     4.0094     3.6829     0.3265
 50   0     0.9246     1.0000     0.0754     0.9908     0.9362     0.0546
 51   0     0.9154     1.0000     0.0846     0.9851     0.9324     0.0527
 52   0     0.9082     1.0000     0.0918     0.9841     0.9318     0.0523
 53   0     0.9069     1.0000     0.0931     0.9890     0.9372     0.0518
 54   0     0.9108     1.0000     0.0892     0.9856     0.9346     0.0510
 55   0     0.9063     1.0000     0.0937     0.9869     0.9358     0.0511
 56   0     0.9036     1.0000     0.0964     0.9800     0.9280     0.0520
 57   0     0.9127     1.0000     0.0873     0.9826     0.9257     0.0569
 58   0     0.9103     1.0000     0.0897     0.9801     0.9240     0.0561
 59   0     0.9065     1.0000     0.0935     0.9882     0.9359     0.0523
 60   0     6.1917     6.0000    -0.1917     4.0288     3.7029     0.3259
 61   0     6.1619     6.0000    -0.1619     3.9639     3.6394     0.3245
 62   0     6.2059     6.0000    -0.2059     4.0065     3.6797     0.3268
 63   0     6.1778     6.0000    -0.1778     4.0094     3.6876     0.3218
 64   0     6.1545     6.0000    -0.1545     4.0038     3.6853     0.3185
 65   0     0.9097     1.0000     0.0903     0.9835     0.9301     0.0534
 66   0     0.9064     1.0000     0.0936     0.9853     0.9349     0.0504
 67   0     0.8926     1.0000     0.1074     0.9791     0.9269     0.0522
 68   0     0.9417     1.0000     0.0583     1.0063     0.9523     0.0540
 69   0     0.9180     1.0000     0.0820     0.9841     0.9306     0.0535
 70   0     0.8880     1.0000     0.1120     0.9686     0.9198     0.0488
 71   0     0.9147     1.0000     0.0853     0.9829     0.9297     0.0532
 72   0     0.9064     1.0000     0.0936     0.9890     0.9384     0.0506
 73   0     0.9167     1.0000     0.0833     0.9875     0.9351     0.0524
 74   0     0.9097     1.0000     0.0903     0.9830     0.9303     0.0527
 75   0     6.1744     6.0000    -0.1744     3.9916     3.6648     0.3268
 76   0     6.1599     6.0000    -0.1599     3.9768     3.6572     0.3196
 77   0     6.1623     6.0000    -0.1623     4.0103     3.6963     0.3140
 78   0     6.1527     6.0000    -0.1527     4.0216     3.7103     0.3113
 79   0     6.1841     6.0000    -0.1841     3.9958     3.6746     0.3212
 80   0     0.9174     1.0000     0.0826     0.9988     0.9480     0.0508
 81   0     0.9088     1.0000     0.0912     0.9869     0.9345     0.0524
 82   0     0.9201     1.0000     0.0799     0.9914     0.9389     0.0525
 83   0     0.9279     1.0000     0.0721     0.9894     0.9356     0.0538
 84   0     0.9165     1.0000     0.0835     0.9811     0.9297     0.0514
 85   0     0.9216     1.0000     0.0784     0.9874     0.9335     0.0539
 86   0     0.9281     1.0000     0.0719     0.9948     0.9434     0.0514
 87   0     0.9035     1.0000     0.0965     0.9776     0.9252     0.0524
 88   0     0.8918     1.0000     0.1082     0.9779     0.9283     0.0496
 89   0     0.9308     1.0000     0.0692     0.9876     0.9346     0.0530
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.900418
                0             6               4            6                0.909217
                0             6               5            1                0.957166
                0             6               6            1                0.948740
                1             6               2            6                0.905699
                1             6               7            1                0.946749
                1             6               8            1                0.949851
                2             6               3            6                0.910051
                2             6               9            1                0.948797
                2             6              10            1                0.959049
                3             6               4            6                0.902172
                3             6              11            1                0.949782
                3             6              12            1                0.956051
                4             6              13            1                0.944334
                4             6              14            1                0.961358
               15             6              16            6                0.897927
               15             6              19            6                0.900574
               15             6              20            1                0.947146
               15             6              21            1                0.954921
               16             6              17            6                0.903786
               16             6              22            1                0.946511
               16             6              23            1                0.959369
               17             6              18            6                0.897091
               17             6              24            1                0.947461
               17             6              25            1                0.959654
               18             6              19            6                0.915138
               18             6              26            1                0.944875
               18             6              27            1                0.961227
               19             6              28            1                0.951005
               19             6              29            1                0.939857
               30             6              31            6                0.896735
               30             6              34            6                0.888836
               30             6              35            1                0.959931
               30             6              36            1                0.945318
               31             6              32            6                0.916307
               31             6              37            1                0.942934
               31             6              38            1                0.958175
               32             6              33            6                0.909854
               32             6              39            1                0.944742
               32             6              40            1                0.948313
               33             6              34            6                0.885657
               33             6              41            1                0.953048
               33             6              42            1                0.944558
               34             6              43            1                0.956189
               34             6              44            1                0.958564
               45             6              46            6                0.906299
               45             6              49            6                0.919722
               45             6              50            1                0.947291
               45             6              51            1                0.952488
               46             6              47            6                0.915640
               46             6              52            1                0.953169
               46             6              53            1                0.951134
               47             6              48            6                0.906702
               47             6              54            1                0.953000
               47             6              55            1                0.947460
               48             6              49            6                0.898456
               48             6              56            1                0.951052
               48             6              57            1                0.937565
               49             6              58            1                0.948743
               49             6              59            1                0.947329
               60             6              61            6                0.894354
               60             6              64            6                0.922856
               60             6              65            1                0.948147
               60             6              66            1                0.950829
               61             6              62            6                0.893425
               61             6              67            1                0.938785
               61             6              68            1                0.968547
               62             6              63            6                0.908775
               62             6              69            1                0.948921
               62             6              70            1                0.944976
               63             6              64            6                0.915800
               63             6              71            1                0.949032
               63             6              72            1                0.948601
               64             6              73            1                0.949181
               64             6              74            1                0.943383
               75             6              76            6                0.904516
               75             6              79            6                0.886849
               75             6              80            1                0.962454
               75             6              81            1                0.943533
               76             6              77            6                0.898533
               76             6              82            1                0.949687
               76             6              83            1                0.946763
               77             6              78            6                0.927128
               77             6              84            1                0.963461
               77             6              85            1                0.944862
               78             6              79            6                0.914597
               78             6              86            1                0.951276
               78             6              87            1                0.942784
               79             6              88            1                0.942510
               79             6              89            1                0.963367
# -----------------------------------------------------------
$ 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     6.2125     6.0000    -0.2125     3.9809     3.6637     0.3172
  1   0     6.2337     6.0000    -0.2337     3.9868     3.6659     0.3209
  2   0     6.1645     6.0000    -0.1645     4.0028     3.6833     0.3195
  3   0     6.2722     6.0000    -0.2722     4.0079     3.6857     0.3222
  4   0     6.1794     6.0000    -0.1794     3.9707     3.6564     0.3143
  5   0     0.9000     1.0000     0.1000     0.9823     0.9319     0.0504
  6   0     0.9046     1.0000     0.0954     0.9923     0.9408     0.0515
  7   0     0.8690     1.0000     0.1310     0.9687     0.9186     0.0501
  8   0     0.9101     1.0000     0.0899     0.9991     0.9458     0.0533
  9   0     0.8963     1.0000     0.1037     0.9944     0.9410     0.0534
 10   0     0.9000     1.0000     0.1000     0.9931     0.9405     0.0526
 11   0     0.8911     1.0000     0.1089     0.9763     0.9222     0.0541
 12   0     0.8839     1.0000     0.1161     0.9723     0.9219     0.0504
 13   0     0.8804     1.0000     0.1196     0.9789     0.9281     0.0508
 14   0     0.9071     1.0000     0.0929     0.9874     0.9353     0.0521
 15   0     6.2247     6.0000    -0.2247     3.9600     3.6412     0.3188
 16   0     6.2366     6.0000    -0.2366     3.9832     3.6666     0.3166
 17   0     6.2153     6.0000    -0.2153     3.9684     3.6532     0.3152
 18   0     6.2321     6.0000    -0.2321     3.9939     3.6757     0.3182
 19   0     6.1784     6.0000    -0.1784     3.9827     3.6685     0.3142
 20   0     0.8905     1.0000     0.1095     0.9764     0.9239     0.0525
 21   0     0.8923     1.0000     0.1077     0.9769     0.9243     0.0526
 22   0     0.8805     1.0000     0.1195     0.9769     0.9268     0.0501
 23   0     0.8953     1.0000     0.1047     0.9788     0.9289     0.0499
 24   0     0.8876     1.0000     0.1124     0.9819     0.9318     0.0501
 25   0     0.8884     1.0000     0.1116     0.9772     0.9280     0.0492
 26   0     0.8757     1.0000     0.1243     0.9791     0.9291     0.0500
 27   0     0.8970     1.0000     0.1030     0.9804     0.9294     0.0510
 28   0     0.9281     1.0000     0.0719     1.0091     0.9544     0.0547
 29   0     0.8802     1.0000     0.1198     0.9749     0.9243     0.0506
 30   0     6.2473     6.0000    -0.2473     3.9586     3.6393     0.3193
 31   0     6.2164     6.0000    -0.2164     3.9965     3.6838     0.3127
 32   0     6.2100     6.0000    -0.2100     3.9958     3.6839     0.3119
 33   0     6.2351     6.0000    -0.2351     3.9639     3.6458     0.3181
 34   0     6.1994     6.0000    -0.1994     3.9331     3.6177     0.3154
 35   0     0.8890     1.0000     0.1110     0.9773     0.9261     0.0512
 36   0     0.8874     1.0000     0.1126     0.9749     0.9225     0.0524
 37   0     0.8804     1.0000     0.1196     0.9762     0.9262     0.0500
 38   0     0.8889     1.0000     0.1111     0.9785     0.9284     0.0501
 39   0     0.8822     1.0000     0.1178     0.9733     0.9215     0.0518
 40   0     0.8939     1.0000     0.1061     0.9829     0.9309     0.0520
 41   0     0.8920     1.0000     0.1080     0.9715     0.9179     0.0536
 42   0     0.8773     1.0000     0.1227     0.9766     0.9258     0.0508
 43   0     0.8881     1.0000     0.1119     0.9755     0.9244     0.0511
 44   0     0.9096     1.0000     0.0904     0.9995     0.9477     0.0518
 45   0     6.2228     6.0000    -0.2228     3.9904     3.6730     0.3174
 46   0     6.1896     6.0000    -0.1896     4.0088     3.6903     0.3185
 47   0     6.2447     6.0000    -0.2447     4.0168     3.6967     0.3201
 48   0     6.2655     6.0000    -0.2655     3.9845     3.6527     0.3318
 49   0     6.2106     6.0000    -0.2106     3.9987     3.6767     0.3220
 50   0     0.8980     1.0000     0.1020     0.9888     0.9354     0.0534
 51   0     0.8893     1.0000     0.1107     0.9724     0.9208     0.0516
 52   0     0.8876     1.0000     0.1124     0.9757     0.9243     0.0514
 53   0     0.8847     1.0000     0.1153     0.9848     0.9342     0.0506
 54   0     0.8865     1.0000     0.1135     0.9765     0.9265     0.0500
 55   0     0.8834     1.0000     0.1166     0.9812     0.9312     0.0500
 56   0     0.8806     1.0000     0.1194     0.9730     0.9222     0.0508
 57   0     0.8896     1.0000     0.1104     0.9787     0.9230     0.0557
 58   0     0.8868     1.0000     0.1132     0.9709     0.9158     0.0551
 59   0     0.8811     1.0000     0.1189     0.9800     0.9289     0.0511
 60   0     6.2322     6.0000    -0.2322     4.0078     3.6860     0.3218
 61   0     6.2134     6.0000    -0.2134     3.9634     3.6432     0.3202
 62   0     6.2485     6.0000    -0.2485     4.0010     3.6786     0.3224
 63   0     6.2252     6.0000    -0.2252     3.9991     3.6815     0.3176
 64   0     6.2053     6.0000    -0.2053     3.9944     3.6801     0.3143
 65   0     0.8872     1.0000     0.1128     0.9761     0.9237     0.0524
 66   0     0.8855     1.0000     0.1145     0.9776     0.9281     0.0495
 67   0     0.8738     1.0000     0.1262     0.9729     0.9216     0.0513
 68   0     0.9091     1.0000     0.0909     0.9941     0.9415     0.0526
 69   0     0.8954     1.0000     0.1046     0.9757     0.9233     0.0524
 70   0     0.8688     1.0000     0.1312     0.9683     0.9205     0.0478
 71   0     0.8900     1.0000     0.1100     0.9738     0.9216     0.0522
 72   0     0.8822     1.0000     0.1178     0.9790     0.9295     0.0495
 73   0     0.8911     1.0000     0.1089     0.9778     0.9266     0.0512
 74   0     0.8877     1.0000     0.1123     0.9769     0.9252     0.0517
 75   0     6.2254     6.0000    -0.2254     3.9735     3.6508     0.3227
 76   0     6.2137     6.0000    -0.2137     3.9657     3.6503     0.3154
 77   0     6.2068     6.0000    -0.2068     3.9841     3.6745     0.3096
 78   0     6.2005     6.0000    -0.2005     4.0018     3.6947     0.3071
 79   0     6.2348     6.0000    -0.2348     3.9840     3.6668     0.3172
 80   0     0.8893     1.0000     0.1107     0.9909     0.9414     0.0495
 81   0     0.8866     1.0000     0.1134     0.9796     0.9282     0.0514
 82   0     0.8933     1.0000     0.1067     0.9828     0.9314     0.0514
 83   0     0.9024     1.0000     0.0976     0.9846     0.9320     0.0526
 84   0     0.8930     1.0000     0.1070     0.9744     0.9240     0.0504
 85   0     0.8951     1.0000     0.1049     0.9788     0.9261     0.0527
 86   0     0.9022     1.0000     0.0978     0.9848     0.9345     0.0503
 87   0     0.8833     1.0000     0.1167     0.9736     0.9222     0.0514
 88   0     0.8718     1.0000     0.1282     0.9727     0.9240     0.0487
 89   0     0.9012     1.0000     0.0988     0.9779     0.9261     0.0518
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.905399
                0             6               4            6                0.913509
                0             6               5            1                0.942954
                0             6               6            1                0.936665
                1             6               2            6                0.918724
                1             6               7            1                0.932417
                1             6               8            1                0.938936
                2             6               3            6                0.922177
                2             6               9            1                0.933583
                2             6              10            1                0.944556
                3             6               4            6                0.912232
                3             6              11            1                0.932168
                3             6              12            1                0.939927
                4             6              13            1                0.927801
                4             6              14            1                0.949397
               15             6              16            6                0.907930
               15             6              19            6                0.910396
               15             6              20            1                0.934145
               15             6              21            1                0.941448
               16             6              17            6                0.907824
               16             6              22            1                0.934323
               16             6              23            1                0.946205
               17             6              18            6                0.904070
               17             6              24            1                0.935148
               17             6              25            1                0.949124
               18             6              19            6                0.927164
               18             6              26            1                0.933149
               18             6              27            1                0.945502
               19             6              28            1                0.938821
               19             6              29            1                0.928455
               30             6              31            6                0.905587
               30             6              34            6                0.891657
               30             6              35            1                0.948525
               30             6              36            1                0.931304
               31             6              32            6                0.926520
               31             6              37            1                0.930237
               31             6              38            1                0.946057
               32             6              33            6                0.922817
               32             6              39            1                0.929193
               32             6              40            1                0.936717
               33             6              34            6                0.889867
               33             6              41            1                0.937180
               33             6              42            1                0.932112
               34             6              43            1                0.942590
               34             6              44            1                0.949068
               45             6              46            6                0.918053
               45             6              49            6                0.934167
               45             6              50            1                0.931190
               45             6              51            1                0.932803
               46             6              47            6                0.924870
               46             6              52            1                0.936857
               46             6              53            1                0.937753
               47             6              48            6                0.916628
               47             6              54            1                0.940780
               47             6              55            1                0.936580
               48             6              49            6                0.910074
               48             6              56            1                0.936241
               48             6              57            1                0.923559
               49             6              58            1                0.931487
               49             6              59            1                0.931825
               60             6              61            6                0.903112
               60             6              64            6                0.933720
               60             6              65            1                0.934101
               60             6              66            1                0.936828
               61             6              62            6                0.911187
               61             6              67            1                0.925618
               61             6              68            1                0.955395
               62             6              63            6                0.917801
               62             6              69            1                0.931327
               62             6              70            1                0.935049
               63             6              64            6                0.927798
               63             6              71            1                0.935386
               63             6              72            1                0.933478
               64             6              73            1                0.934407
               64             6              74            1                0.928901
               75             6              76            6                0.912911
               75             6              79            6                0.893608
               75             6              80            1                0.952700
               75             6              81            1                0.930751
               76             6              77            6                0.907295
               76             6              82            1                0.938754
               76             6              83            1                0.933858
               77             6              78            6                0.938231
               77             6              84            1                0.947085
               77             6              85            1                0.929081
               78             6              79            6                0.925289
               78             6              86            1                0.937362
               78             6              87            1                0.928265
               79             6              88            1                0.930149
               79             6              89            1                0.950906
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2046719459
        Correlation Energy:       -5.0691165408
        Total MP2 Energy:      -1176.2737884867
# -----------------------------------------------------------
$ 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) :        0.0841048921
        Electronic Contribution:
                  0    
      0       0.284746
      1      -0.356165
      2      -0.026927
        Nuclear Contribution:
                  0    
      0      -0.289202
      1       0.329369
      2       0.008033
        Total Dipole moment:
                  0    
      0      -0.004456
      1      -0.026796
      2      -0.018893
# -----------------------------------------------------------
$ 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) :        0.0845317080
        Electronic Contribution:
                  0    
      0       0.283658
      1      -0.355356
      2      -0.028031
        Nuclear Contribution:
                  0    
      0      -0.289202
      1       0.329369
      2       0.008033
        Total Dipole moment:
                  0    
      0      -0.005544
      1      -0.025987
      2      -0.019998
# -----------------------------------------------------------
$ 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) :        0.0887858843
        Electronic Contribution:
                  0    
      0       0.277431
      1      -0.333332
      2      -0.040681
        Nuclear Contribution:
                  0    
      0      -0.289202
      1       0.329369
      2       0.008033
        Total Dipole moment:
                  0    
      0      -0.011772
      1      -0.003963
      2      -0.032647
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     15.920000000000   15.980000000000   14.410000000000
               1 C     17.190000000000   15.320000000000   14.890000000000
               2 C     17.580000000000   16.000000000000   16.260000000000
               3 C     16.400000000000   16.890000000000   16.670000000000
               4 C     15.300000000000   16.700000000000   15.620000000000
               5 H     15.330000000000   15.200000000000   13.990000000000
               6 H     16.110000000000   16.750000000000   13.670000000000
               7 H     17.850000000000   15.530000000000   14.040000000000
               8 H     16.910000000000   14.270000000000   14.980000000000
               9 H     18.480000000000   16.680000000000   16.250000000000
              10 H     17.790000000000   15.190000000000   16.980000000000
              11 H     16.690000000000   17.970000000000   16.830000000000
              12 H     16.010000000000   16.720000000000   17.660000000000
              13 H     14.700000000000   17.570000000000   15.280000000000
              14 H     14.630000000000   16.010000000000   16.080000000000
              15 C     19.280000000000   21.090000000000   16.750000000000
              16 C     19.630000000000   20.820000000000   18.230000000000
              17 C     20.740000000000   19.730000000000   18.160000000000
              18 C     20.810000000000   19.240000000000   16.670000000000
              19 C     20.170000000000   20.310000000000   15.780000000000
              20 H     19.350000000000   22.170000000000   16.470000000000
              21 H     18.250000000000   20.740000000000   16.610000000000
              22 H     18.760000000000   20.650000000000   18.870000000000
              23 H     20.010000000000   21.730000000000   18.620000000000
              24 H     20.550000000000   18.930000000000   18.860000000000
              25 H     21.670000000000   20.170000000000   18.430000000000
              26 H     20.490000000000   18.210000000000   16.570000000000
              27 H     21.880000000000   19.230000000000   16.550000000000
              28 H     19.440000000000   19.870000000000   15.070000000000
              29 H     20.930000000000   20.910000000000   15.240000000000
              30 C     19.710000000000   11.310000000000   18.260000000000
              31 C     19.000000000000   10.060000000000   18.760000000000
              32 C     18.110000000000   10.440000000000   19.950000000000
              33 C     18.300000000000   11.880000000000   20.210000000000
              34 C     19.260000000000   12.480000000000   19.150000000000
              35 H     19.430000000000   11.570000000000   17.240000000000
              36 H     20.830000000000   11.210000000000   18.250000000000
              37 H     19.690000000000    9.230000000000   18.970000000000
              38 H     18.430000000000    9.780000000000   17.900000000000
              39 H     18.380000000000    9.940000000000   20.920000000000
              40 H     17.040000000000   10.260000000000   19.740000000000
              41 H     18.970000000000   12.080000000000   21.080000000000
              42 H     17.380000000000   12.480000000000   20.360000000000
              43 H     20.180000000000   12.910000000000   19.570000000000
              44 H     18.810000000000   13.240000000000   18.560000000000
              45 C     14.010000000000   12.780000000000   15.800000000000
              46 C     14.010000000000   13.180000000000   17.290000000000
              47 C     15.230000000000   12.480000000000   17.990000000000
              48 C     15.890000000000   11.590000000000   16.880000000000
              49 C     14.820000000000   11.540000000000   15.700000000000
              50 H     14.190000000000   13.570000000000   15.050000000000
              51 H     13.010000000000   12.590000000000   15.410000000000
              52 H     13.110000000000   12.770000000000   17.790000000000
              53 H     14.050000000000   14.260000000000   17.440000000000
              54 H     14.870000000000   11.810000000000   18.760000000000
              55 H     15.940000000000   13.180000000000   18.380000000000
              56 H     16.130000000000   10.630000000000   17.320000000000
              57 H     16.930000000000   11.930000000000   16.540000000000
              58 H     14.120000000000   10.630000000000   15.840000000000
              59 H     15.220000000000   11.360000000000   14.690000000000
              60 C     16.800000000000   21.980000000000   12.680000000000
              61 C     16.450000000000   20.650000000000   13.460000000000
              62 C     17.320000000000   19.560000000000   12.840000000000
              63 C     17.980000000000   20.190000000000   11.550000000000
              64 C     18.090000000000   21.650000000000   11.880000000000
              65 H     16.980000000000   22.810000000000   13.420000000000
              66 H     15.910000000000   22.200000000000   12.130000000000
              67 H     15.360000000000   20.420000000000   13.630000000000
              68 H     16.870000000000   20.850000000000   14.410000000000
              69 H     16.630000000000   18.770000000000   12.490000000000
              70 H     17.970000000000   19.070000000000   13.530000000000
              71 H     17.410000000000   20.130000000000   10.600000000000
              72 H     18.920000000000   19.770000000000   11.240000000000
              73 H     18.110000000000   22.230000000000   10.950000000000
              74 H     19.040000000000   21.880000000000   12.420000000000
              75 C     18.230000000000   12.650000000000   12.500000000000
              76 C     17.050000000000   13.280000000000   11.660000000000
              77 C     16.630000000000   12.180000000000   10.780000000000
              78 C     17.050000000000   10.870000000000   11.380000000000
              79 C     18.210000000000   11.080000000000   12.290000000000
              80 H     18.070000000000   12.760000000000   13.530000000000
              81 H     19.220000000000   13.030000000000   12.190000000000
              82 H     17.370000000000   14.050000000000   10.950000000000
              83 H     16.200000000000   13.660000000000   12.260000000000
              84 H     17.100000000000   12.410000000000    9.830000000000
              85 H     15.530000000000   12.280000000000   10.600000000000
              86 H     17.420000000000   10.280000000000   10.570000000000
              87 H     16.230000000000   10.330000000000   11.920000000000
              88 H     19.170000000000   10.610000000000   12.100000000000
              89 H     17.930000000000   10.760000000000   13.280000000000
