-------------------------------------------------------------
----------------------- !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:    -1171.1643760960
# -----------------------------------------------------------
$ 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     6.0991     6.0000    -0.0991     3.8692     3.8692     0.0000
  1   0     6.1530     6.0000    -0.1530     3.9206     3.9206    -0.0000
  2   0     6.1902     6.0000    -0.1902     3.8751     3.8751    -0.0000
  3   0     6.1707     6.0000    -0.1707     3.8770     3.8770    -0.0000
  4   0     6.1598     6.0000    -0.1598     3.9465     3.9465     0.0000
  5   0     0.9608     1.0000     0.0392     0.9879     0.9879     0.0000
  6   0     0.9147     1.0000     0.0853     0.9706     0.9706     0.0000
  7   0     0.9272     1.0000     0.0728     0.9747     0.9747    -0.0000
  8   0     0.9303     1.0000     0.0697     0.9769     0.9769    -0.0000
  9   0     0.9137     1.0000     0.0863     0.9645     0.9645    -0.0000
 10   0     0.9289     1.0000     0.0711     0.9675     0.9675    -0.0000
 11   0     0.9208     1.0000     0.0792     0.9773     0.9773    -0.0000
 12   0     0.9090     1.0000     0.0910     0.9779     0.9779    -0.0000
 13   0     0.9091     1.0000     0.0909     0.9794     0.9794     0.0000
 14   0     0.9099     1.0000     0.0901     0.9730     0.9730    -0.0000
 15   0     6.1574     6.0000    -0.1574     3.9108     3.9108    -0.0000
 16   0     6.1184     6.0000    -0.1184     3.8795     3.8795    -0.0000
 17   0     6.1974     6.0000    -0.1974     3.9148     3.9148    -0.0000
 18   0     6.1269     6.0000    -0.1269     3.8537     3.8537    -0.0000
 19   0     6.1890     6.0000    -0.1890     3.8761     3.8761    -0.0000
 20   0     0.9227     1.0000     0.0773     0.9806     0.9806    -0.0000
 21   0     0.9041     1.0000     0.0959     0.9760     0.9760     0.0000
 22   0     0.9292     1.0000     0.0708     0.9830     0.9830     0.0000
 23   0     0.9221     1.0000     0.0779     0.9897     0.9897     0.0000
 24   0     0.9196     1.0000     0.0804     0.9735     0.9735    -0.0000
 25   0     0.9142     1.0000     0.0858     0.9776     0.9776    -0.0000
 26   0     0.9203     1.0000     0.0797     0.9759     0.9759     0.0000
 27   0     0.9326     1.0000     0.0674     0.9770     0.9770     0.0000
 28   0     0.9314     1.0000     0.0686     0.9759     0.9759    -0.0000
 29   0     0.9164     1.0000     0.0836     0.9724     0.9724    -0.0000
 30   0     6.1308     6.0000    -0.1308     3.8596     3.8596     0.0000
 31   0     6.1900     6.0000    -0.1900     3.9071     3.9071    -0.0000
 32   0     6.1590     6.0000    -0.1590     3.8581     3.8581    -0.0000
 33   0     6.1469     6.0000    -0.1469     3.8668     3.8668    -0.0000
 34   0     6.1714     6.0000    -0.1714     3.9022     3.9022    -0.0000
 35   0     0.9233     1.0000     0.0767     0.9781     0.9781     0.0000
 36   0     0.9146     1.0000     0.0854     0.9739     0.9739     0.0000
 37   0     0.9041     1.0000     0.0959     0.9693     0.9693     0.0000
 38   0     0.9107     1.0000     0.0893     0.9802     0.9802    -0.0000
 39   0     0.9128     1.0000     0.0872     0.9692     0.9692    -0.0000
 40   0     0.9134     1.0000     0.0866     0.9779     0.9779     0.0000
 41   0     0.9186     1.0000     0.0814     0.9703     0.9703     0.0000
 42   0     0.9382     1.0000     0.0618     0.9833     0.9833    -0.0000
 43   0     0.9153     1.0000     0.0847     0.9773     0.9773    -0.0000
 44   0     0.9287     1.0000     0.0713     0.9823     0.9823     0.0000
 45   0     6.1514     6.0000    -0.1514     3.8748     3.8748    -0.0000
 46   0     6.1928     6.0000    -0.1928     3.8979     3.8979    -0.0000
 47   0     6.0828     6.0000    -0.0828     3.8540     3.8540    -0.0000
 48   0     6.2141     6.0000    -0.2141     3.9441     3.9441     0.0000
 49   0     6.1077     6.0000    -0.1077     3.8866     3.8866    -0.0000
 50   0     0.9115     1.0000     0.0885     0.9732     0.9732    -0.0000
 51   0     0.9356     1.0000     0.0644     0.9712     0.9712    -0.0000
 52   0     0.9255     1.0000     0.0745     0.9718     0.9718     0.0000
 53   0     0.9057     1.0000     0.0943     0.9766     0.9766    -0.0000
 54   0     1.0102     1.0000    -0.0102     0.9867     0.9867    -0.0000
 55   0     0.9078     1.0000     0.0922     0.9788     0.9788    -0.0000
 56   0     0.9104     1.0000     0.0896     0.9640     0.9640     0.0000
 57   0     0.9085     1.0000     0.0915     0.9795     0.9795     0.0000
 58   0     0.9261     1.0000     0.0739     0.9790     0.9790     0.0000
 59   0     0.9123     1.0000     0.0877     0.9762     0.9762    -0.0000
 60   0     6.1654     6.0000    -0.1654     3.9185     3.9185    -0.0000
 61   0     6.1540     6.0000    -0.1540     3.9057     3.9057     0.0000
 62   0     6.1179     6.0000    -0.1179     3.8810     3.8810    -0.0000
 63   0     6.1772     6.0000    -0.1772     3.9152     3.9152    -0.0000
 64   0     6.1699     6.0000    -0.1699     3.9202     3.9202    -0.0000
 65   0     0.8972     1.0000     0.1028     0.9665     0.9665    -0.0000
 66   0     0.9578     1.0000     0.0422     0.9693     0.9693    -0.0000
 67   0     0.9415     1.0000     0.0585     0.9762     0.9762     0.0000
 68   0     0.9121     1.0000     0.0879     0.9771     0.9771    -0.0000
 69   0     0.8953     1.0000     0.1047     0.9720     0.9720    -0.0000
 70   0     0.9474     1.0000     0.0526     0.9778     0.9778    -0.0000
 71   0     0.9259     1.0000     0.0741     0.9758     0.9758    -0.0000
 72   0     0.9115     1.0000     0.0885     0.9761     0.9761     0.0000
 73   0     0.9240     1.0000     0.0760     0.9882     0.9882     0.0000
 74   0     0.9088     1.0000     0.0912     0.9807     0.9807     0.0000
 75   0     6.1588     6.0000    -0.1588     3.9290     3.9290    -0.0000
 76   0     6.1674     6.0000    -0.1674     3.9218     3.9218     0.0000
 77   0     6.1514     6.0000    -0.1514     3.9210     3.9210    -0.0000
 78   0     6.2250     6.0000    -0.2250     3.9062     3.9062    -0.0000
 79   0     6.0038     6.0000    -0.0038     3.7329     3.7329     0.0000
 80   0     0.9656     1.0000     0.0344     0.9854     0.9854    -0.0000
 81   0     0.9144     1.0000     0.0856     0.9705     0.9705    -0.0000
 82   0     0.9115     1.0000     0.0885     0.9797     0.9797    -0.0000
 83   0     0.9055     1.0000     0.0945     0.9723     0.9723     0.0000
 84   0     0.9070     1.0000     0.0930     0.9752     0.9752    -0.0000
 85   0     0.9103     1.0000     0.0897     0.9786     0.9786     0.0000
 86   0     0.9165     1.0000     0.0835     0.9670     0.9670    -0.0000
 87   0     0.9061     1.0000     0.0939     0.9731     0.9731    -0.0000
 88   0     1.0487     1.0000    -0.0487     1.0646     1.0646    -0.0000
 89   0     0.9231     1.0000     0.0769     0.9711     0.9711    -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                0.961324
                0             6               4            6                0.991215
                0             6               5            1                0.988349
                0             6               6            1                0.979899
                1             6               2            6                0.972903
                1             6               7            1                0.997058
                1             6               8            1                1.004854
                2             6               3            6                0.952733
                2             6               9            1                0.992860
                2             6              10            1                1.005499
                3             6               4            6                0.983979
                3             6              11            1                0.994066
                3             6              12            1                0.996035
                4             6              13            1                0.993593
                4             6              14            1                0.993826
               15             6              16            6                0.974641
               15             6              19            6                0.967705
               15             6              20            1                0.992131
               15             6              21            1                0.990494
               16             6              17            6                0.968610
               16             6              22            1                0.992295
               16             6              23            1                0.992735
               17             6              18            6                0.972627
               17             6              24            1                0.993165
               17             6              25            1                0.990405
               18             6              19            6                0.952576
               18             6              26            1                0.985409
               18             6              27            1                0.995964
               19             6              28            1                0.994136
               19             6              29            1                0.996913
               30             6              31            6                0.974481
               30             6              34            6                0.963265
               30             6              35            1                0.990599
               30             6              36            1                0.988568
               31             6              32            6                0.967550
               31             6              37            1                0.986161
               31             6              38            1                0.989656
               32             6              33            6                0.959474
               32             6              39            1                0.992719
               32             6              40            1                0.987027
               33             6              34            6                0.964388
               33             6              41            1                0.994807
               33             6              42            1                0.989273
               34             6              43            1                1.000921
               34             6              44            1                0.993266
               45             6              46            6                0.960004
               45             6              49            6                0.965999
               45             6              50            1                0.985564
               45             6              51            1                1.010500
               46             6              47            6                0.969556
               46             6              52            1                0.996357
               46             6              53            1                0.986000
               47             6              48            6                0.977601
               47             6              54            1                1.003014
               47             6              55            1                0.985553
               48             6              49            6                0.975699
               48             6              56            1                0.993990
               48             6              57            1                0.991417
               49             6              58            1                0.998521
               49             6              59            1                0.987226
               60             6              61            6                0.984554
               60             6              64            6                0.973166
               60             6              65            1                0.982148
               60             6              66            1                1.001988
               61             6              62            6                0.973523
               61             6              67            1                0.994018
               61             6              68            1                0.988757
               62             6              63            6                0.967875
               62             6              69            1                0.982249
               62             6              70            1                1.008159
               63             6              64            6                0.979927
               63             6              71            1                0.995309
               63             6              72            1                1.001497
               64             6              73            1                0.992530
               64             6              74            1                0.995954
               75             6              76            6                0.976146
               75             6              79            6                0.949570
               75             6              80            1                1.006341
               75             6              81            1                0.989117
               76             6              77            6                0.981250
               76             6              82            1                0.993282
               76             6              83            1                0.997269
               77             6              78            6                0.984693
               77             6              84            1                0.993971
               77             6              85            1                0.989152
               78             6              79            6                0.913257
               78             6              86            1                0.999648
               78             6              87            1                0.997813
               79             6              88            1                1.003958
               79             6              89            1                0.984317
# -----------------------------------------------------------
$ 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     6.1084     6.0000    -0.1084     3.9801     3.6584     0.3217
  1   0     6.1611     6.0000    -0.1611     4.0305     3.7097     0.3208
  2   0     6.1990     6.0000    -0.1990     3.9877     3.6641     0.3236
  3   0     6.1776     6.0000    -0.1776     3.9866     3.6610     0.3256
  4   0     6.1671     6.0000    -0.1671     4.0536     3.7300     0.3236
  5   0     0.9563     1.0000     0.0437     0.9980     0.9424     0.0556
  6   0     0.9103     1.0000     0.0897     0.9795     0.9294     0.0501
  7   0     0.9227     1.0000     0.0773     0.9840     0.9302     0.0538
  8   0     0.9259     1.0000     0.0741     0.9865     0.9351     0.0514
  9   0     0.9099     1.0000     0.0901     0.9739     0.9179     0.0560
 10   0     0.9250     1.0000     0.0750     0.9775     0.9219     0.0556
 11   0     0.9170     1.0000     0.0830     0.9868     0.9326     0.0542
 12   0     0.9051     1.0000     0.0949     0.9868     0.9368     0.0500
 13   0     0.9053     1.0000     0.0947     0.9886     0.9361     0.0525
 14   0     0.9060     1.0000     0.0940     0.9822     0.9303     0.0519
 15   0     6.1648     6.0000    -0.1648     4.0174     3.7025     0.3149
 16   0     6.1256     6.0000    -0.1256     3.9853     3.6725     0.3128
 17   0     6.2053     6.0000    -0.2053     4.0257     3.7002     0.3255
 18   0     6.1347     6.0000    -0.1347     3.9601     3.6473     0.3128
 19   0     6.1971     6.0000    -0.1971     3.9872     3.6621     0.3251
 20   0     0.9190     1.0000     0.0810     0.9902     0.9372     0.0530
 21   0     0.9003     1.0000     0.0997     0.9848     0.9373     0.0475
 22   0     0.9253     1.0000     0.0747     0.9926     0.9419     0.0507
 23   0     0.9185     1.0000     0.0815     0.9995     0.9489     0.0506
 24   0     0.9158     1.0000     0.0842     0.9831     0.9293     0.0538
 25   0     0.9104     1.0000     0.0896     0.9869     0.9349     0.0520
 26   0     0.9163     1.0000     0.0837     0.9853     0.9333     0.0520
 27   0     0.9287     1.0000     0.0713     0.9869     0.9339     0.0530
 28   0     0.9276     1.0000     0.0724     0.9860     0.9301     0.0559
 29   0     0.9125     1.0000     0.0875     0.9818     0.9300     0.0518
 30   0     6.1397     6.0000    -0.1397     3.9723     3.6444     0.3279
 31   0     6.1970     6.0000    -0.1970     4.0172     3.6885     0.3287
 32   0     6.1680     6.0000    -0.1680     3.9736     3.6371     0.3365
 33   0     6.1550     6.0000    -0.1550     3.9775     3.6486     0.3289
 34   0     6.1780     6.0000    -0.1780     4.0103     3.6949     0.3154
 35   0     0.9197     1.0000     0.0803     0.9884     0.9336     0.0548
 36   0     0.9102     1.0000     0.0898     0.9830     0.9311     0.0519
 37   0     0.9001     1.0000     0.0999     0.9782     0.9262     0.0520
 38   0     0.9068     1.0000     0.0932     0.9892     0.9367     0.0525
 39   0     0.9084     1.0000     0.0916     0.9783     0.9244     0.0539
 40   0     0.9096     1.0000     0.0904     0.9873     0.9327     0.0546
 41   0     0.9144     1.0000     0.0856     0.9797     0.9243     0.0554
 42   0     0.9345     1.0000     0.0655     0.9937     0.9395     0.0542
 43   0     0.9111     1.0000     0.0889     0.9863     0.9376     0.0487
 44   0     0.9255     1.0000     0.0745     0.9931     0.9407     0.0524
 45   0     6.1592     6.0000    -0.1592     3.9833     3.6614     0.3219
 46   0     6.2005     6.0000    -0.2005     4.0096     3.6841     0.3255
 47   0     6.0900     6.0000    -0.0900     3.9595     3.6336     0.3259
 48   0     6.2219     6.0000    -0.2219     4.0564     3.7305     0.3259
 49   0     6.1158     6.0000    -0.1158     3.9924     3.6784     0.3140
 50   0     0.9076     1.0000     0.0924     0.9825     0.9287     0.0538
 51   0     0.9317     1.0000     0.0683     0.9815     0.9264     0.0551
 52   0     0.9222     1.0000     0.0778     0.9825     0.9280     0.0545
 53   0     0.9018     1.0000     0.0982     0.9855     0.9343     0.0512
 54   0     1.0070     1.0000    -0.0070     1.0012     0.9365     0.0647
 55   0     0.9037     1.0000     0.0963     0.9875     0.9378     0.0497
 56   0     0.9064     1.0000     0.0936     0.9731     0.9219     0.0512
 57   0     0.9044     1.0000     0.0956     0.9883     0.9372     0.0511
 58   0     0.9220     1.0000     0.0780     0.9884     0.9363     0.0521
 59   0     0.9085     1.0000     0.0915     0.9855     0.9343     0.0512
 60   0     6.1740     6.0000    -0.1740     4.0297     3.7027     0.3270
 61   0     6.1623     6.0000    -0.1623     4.0158     3.6979     0.3179
 62   0     6.1264     6.0000    -0.1264     3.9886     3.6716     0.3170
 63   0     6.1851     6.0000    -0.1851     4.0247     3.7050     0.3197
 64   0     6.1773     6.0000    -0.1773     4.0298     3.7025     0.3273
 65   0     0.8927     1.0000     0.1073     0.9745     0.9271     0.0474
 66   0     0.9538     1.0000     0.0462     0.9807     0.9236     0.0571
 67   0     0.9369     1.0000     0.0631     0.9859     0.9332     0.0527
 68   0     0.9081     1.0000     0.0919     0.9862     0.9352     0.0510
 69   0     0.8914     1.0000     0.1086     0.9806     0.9327     0.0479
 70   0     0.9433     1.0000     0.0567     0.9883     0.9341     0.0542
 71   0     0.9222     1.0000     0.0778     0.9860     0.9326     0.0534
 72   0     0.9074     1.0000     0.0926     0.9850     0.9369     0.0481
 73   0     0.9198     1.0000     0.0802     0.9973     0.9429     0.0544
 74   0     0.9050     1.0000     0.0950     0.9897     0.9379     0.0518
 75   0     6.1675     6.0000    -0.1675     4.0395     3.7088     0.3307
 76   0     6.1758     6.0000    -0.1758     4.0317     3.7107     0.3210
 77   0     6.1589     6.0000    -0.1589     4.0278     3.7091     0.3187
 78   0     6.2329     6.0000    -0.2329     4.0192     3.6931     0.3261
 79   0     6.0103     6.0000    -0.0103     3.8365     3.5183     0.3182
 80   0     0.9618     1.0000     0.0382     0.9971     0.9418     0.0553
 81   0     0.9102     1.0000     0.0898     0.9796     0.9278     0.0518
 82   0     0.9074     1.0000     0.0926     0.9886     0.9381     0.0505
 83   0     0.9014     1.0000     0.0986     0.9810     0.9315     0.0495
 84   0     0.9032     1.0000     0.0968     0.9843     0.9338     0.0505
 85   0     0.9065     1.0000     0.0935     0.9878     0.9356     0.0522
 86   0     0.9126     1.0000     0.0874     0.9765     0.9212     0.0553
 87   0     0.9023     1.0000     0.0977     0.9821     0.9315     0.0506
 88   0     1.0448     1.0000    -0.0448     1.0788     1.0179     0.0609
 89   0     0.9192     1.0000     0.0808     0.9818     0.9297     0.0521
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.898874
                0             6               4            6                0.931725
                0             6               5            1                0.943781
                0             6               6            1                0.939353
                1             6               2            6                0.913098
                1             6               7            1                0.953124
                1             6               8            1                0.963621
                2             6               3            6                0.893506
                2             6               9            1                0.947543
                2             6              10            1                0.961012
                3             6               4            6                0.913707
                3             6              11            1                0.950596
                3             6              12            1                0.956065
                4             6              13            1                0.951402
                4             6              14            1                0.952395
               15             6              16            6                0.915802
               15             6              19            6                0.902073
               15             6              20            1                0.950060
               15             6              21            1                0.953158
               16             6              17            6                0.903329
               16             6              22            1                0.952457
               16             6              23            1                0.953223
               17             6              18            6                0.911516
               17             6              24            1                0.950412
               17             6              25            1                0.949181
               18             6              19            6                0.892901
               18             6              26            1                0.944418
               18             6              27            1                0.954102
               19             6              28            1                0.949727
               19             6              29            1                0.955638
               30             6              31            6                0.909200
               30             6              34            6                0.901176
               30             6              35            1                0.947362
               30             6              36            1                0.947182
               31             6              32            6                0.901847
               31             6              37            1                0.944508
               31             6              38            1                0.947668
               32             6              33            6                0.894761
               32             6              39            1                0.948833
               32             6              40            1                0.943219
               33             6              34            6                0.901351
               33             6              41            1                0.949811
               33             6              42            1                0.946904
               34             6              43            1                0.962373
               34             6              44            1                0.953038
               45             6              46            6                0.897260
               45             6              49            6                0.904699
               45             6              50            1                0.942731
               45             6              51            1                0.966323
               46             6              47            6                0.905852
               46             6              52            1                0.953465
               46             6              53            1                0.945238
               47             6              48            6                0.911968
               47             6              54            1                0.953262
               47             6              55            1                0.945982
               48             6              49            6                0.914095
               48             6              56            1                0.952603
               48             6              57            1                0.950540
               49             6              58            1                0.956857
               49             6              59            1                0.946954
               60             6              61            6                0.922903
               60             6              64            6                0.907376
               60             6              65            1                0.943854
               60             6              66            1                0.956021
               61             6              62            6                0.912454
               61             6              67            1                0.952037
               61             6              68            1                0.948364
               62             6              63            6                0.903179
               62             6              69            1                0.944532
               62             6              70            1                0.965431
               63             6              64            6                0.917101
               63             6              71            1                0.953387
               63             6              72            1                0.963466
               64             6              73            1                0.948615
               64             6              74            1                0.954405
               75             6              76            6                0.910889
               75             6              79            6                0.883118
               75             6              80            1                0.963021
               75             6              81            1                0.947270
               76             6              77            6                0.918815
               76             6              82            1                0.952997
               76             6              83            1                0.957486
               77             6              78            6                0.920715
               77             6              84            1                0.953711
               77             6              85            1                0.947640
               78             6              79            6                0.853257
               78             6              86            1                0.954709
               78             6              87            1                0.957506
               79             6              88            1                0.958237
               79             6              89            1                0.943294
# -----------------------------------------------------------
$ 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     6.1942     6.0000    -0.1942     4.0086     3.6915     0.3171
  1   0     6.2232     6.0000    -0.2232     4.0064     3.6897     0.3167
  2   0     6.2354     6.0000    -0.2354     3.9607     3.6424     0.3183
  3   0     6.2313     6.0000    -0.2313     3.9872     3.6656     0.3216
  4   0     6.1985     6.0000    -0.1985     4.0227     3.7038     0.3189
  5   0     0.9217     1.0000     0.0783     0.9872     0.9331     0.0541
  6   0     0.8848     1.0000     0.1152     0.9754     0.9265     0.0489
  7   0     0.8887     1.0000     0.1113     0.9707     0.9185     0.0522
  8   0     0.8963     1.0000     0.1037     0.9785     0.9284     0.0501
  9   0     0.8843     1.0000     0.1157     0.9667     0.9119     0.0548
 10   0     0.8967     1.0000     0.1033     0.9691     0.9147     0.0544
 11   0     0.8919     1.0000     0.1081     0.9774     0.9244     0.0530
 12   0     0.8830     1.0000     0.1170     0.9783     0.9292     0.0491
 13   0     0.8831     1.0000     0.1169     0.9819     0.9305     0.0514
 14   0     0.8857     1.0000     0.1143     0.9764     0.9255     0.0509
 15   0     6.2143     6.0000    -0.2143     4.0036     3.6927     0.3109
 16   0     6.1953     6.0000    -0.1953     3.9894     3.6803     0.3091
 17   0     6.2431     6.0000    -0.2431     3.9997     3.6785     0.3212
 18   0     6.1872     6.0000    -0.1872     3.9482     3.6397     0.3085
 19   0     6.2364     6.0000    -0.2364     3.9620     3.6412     0.3208
 20   0     0.8940     1.0000     0.1060     0.9812     0.9292     0.0520
 21   0     0.8786     1.0000     0.1214     0.9783     0.9317     0.0466
 22   0     0.8969     1.0000     0.1031     0.9811     0.9316     0.0495
 23   0     0.8890     1.0000     0.1110     0.9899     0.9405     0.0494
 24   0     0.8931     1.0000     0.1069     0.9758     0.9229     0.0529
 25   0     0.8865     1.0000     0.1135     0.9786     0.9277     0.0509
 26   0     0.8915     1.0000     0.1085     0.9778     0.9269     0.0509
 27   0     0.9038     1.0000     0.0962     0.9798     0.9278     0.0520
 28   0     0.9029     1.0000     0.0971     0.9788     0.9240     0.0548
 29   0     0.8887     1.0000     0.1113     0.9759     0.9252     0.0507
 30   0     6.1981     6.0000    -0.1981     3.9694     3.6458     0.3236
 31   0     6.2334     6.0000    -0.2334     3.9923     3.6681     0.3242
 32   0     6.2274     6.0000    -0.2274     3.9631     3.6311     0.3320
 33   0     6.1964     6.0000    -0.1964     3.9544     3.6303     0.3241
 34   0     6.2226     6.0000    -0.2226     3.9828     3.6716     0.3112
 35   0     0.8923     1.0000     0.1077     0.9839     0.9305     0.0534
 36   0     0.8888     1.0000     0.1112     0.9753     0.9245     0.0508
 37   0     0.8810     1.0000     0.1190     0.9727     0.9216     0.0511
 38   0     0.8836     1.0000     0.1164     0.9805     0.9290     0.0515
 39   0     0.8875     1.0000     0.1125     0.9710     0.9181     0.0529
 40   0     0.8840     1.0000     0.1160     0.9835     0.9302     0.0533
 41   0     0.8917     1.0000     0.1083     0.9725     0.9182     0.0543
 42   0     0.9099     1.0000     0.0901     0.9949     0.9420     0.0529
 43   0     0.8853     1.0000     0.1147     0.9762     0.9286     0.0476
 44   0     0.8986     1.0000     0.1014     0.9868     0.9358     0.0510
 45   0     6.2042     6.0000    -0.2042     3.9610     3.6436     0.3174
 46   0     6.2532     6.0000    -0.2532     3.9932     3.6720     0.3212
 47   0     6.1487     6.0000    -0.1487     3.9476     3.6260     0.3216
 48   0     6.2643     6.0000    -0.2643     4.0367     3.7153     0.3214
 49   0     6.1703     6.0000    -0.1703     3.9780     3.6680     0.3100
 50   0     0.8860     1.0000     0.1140     0.9754     0.9226     0.0528
 51   0     0.9045     1.0000     0.0955     0.9774     0.9236     0.0538
 52   0     0.8903     1.0000     0.1097     0.9732     0.9201     0.0531
 53   0     0.8788     1.0000     0.1212     0.9772     0.9271     0.0501
 54   0     0.9769     1.0000     0.0231     1.0099     0.9470     0.0629
 55   0     0.8790     1.0000     0.1210     0.9780     0.9294     0.0486
 56   0     0.8789     1.0000     0.1211     0.9676     0.9177     0.0499
 57   0     0.8827     1.0000     0.1173     0.9796     0.9295     0.0501
 58   0     0.8965     1.0000     0.1035     0.9820     0.9310     0.0510
 59   0     0.8877     1.0000     0.1123     0.9784     0.9281     0.0503
 60   0     6.2514     6.0000    -0.2514     4.0306     3.7079     0.3227
 61   0     6.2073     6.0000    -0.2073     3.9922     3.6786     0.3136
 62   0     6.1773     6.0000    -0.1773     3.9654     3.6524     0.3130
 63   0     6.2381     6.0000    -0.2381     4.0060     3.6901     0.3159
 64   0     6.2213     6.0000    -0.2213     4.0111     3.6882     0.3229
 65   0     0.8673     1.0000     0.1327     0.9662     0.9200     0.0462
 66   0     0.9170     1.0000     0.0830     0.9732     0.9179     0.0553
 67   0     0.9076     1.0000     0.0924     0.9791     0.9278     0.0513
 68   0     0.8826     1.0000     0.1174     0.9785     0.9287     0.0498
 69   0     0.8718     1.0000     0.1282     0.9747     0.9277     0.0470
 70   0     0.9150     1.0000     0.0850     0.9770     0.9239     0.0531
 71   0     0.8958     1.0000     0.1042     0.9773     0.9250     0.0523
 72   0     0.8817     1.0000     0.1183     0.9756     0.9287     0.0469
 73   0     0.8886     1.0000     0.1114     0.9890     0.9359     0.0531
 74   0     0.8829     1.0000     0.1171     0.9806     0.9298     0.0508
 75   0     6.2248     6.0000    -0.2248     4.0032     3.6767     0.3265
 76   0     6.2312     6.0000    -0.2312     4.0147     3.6978     0.3169
 77   0     6.2064     6.0000    -0.2064     4.0131     3.6984     0.3147
 78   0     6.2659     6.0000    -0.2659     3.9956     3.6743     0.3213
 79   0     6.1015     6.0000    -0.1015     3.8500     3.5360     0.3140
 80   0     0.9208     1.0000     0.0792     0.9897     0.9362     0.0535
 81   0     0.8873     1.0000     0.1127     0.9759     0.9253     0.0506
 82   0     0.8839     1.0000     0.1161     0.9795     0.9301     0.0494
 83   0     0.8774     1.0000     0.1226     0.9751     0.9267     0.0484
 84   0     0.8816     1.0000     0.1184     0.9766     0.9271     0.0495
 85   0     0.8838     1.0000     0.1162     0.9794     0.9283     0.0511
 86   0     0.8897     1.0000     0.1103     0.9734     0.9193     0.0541
 87   0     0.8762     1.0000     0.1238     0.9732     0.9237     0.0495
 88   0     0.9946     1.0000     0.0054     1.0578     0.9989     0.0589
 89   0     0.8868     1.0000     0.1132     0.9748     0.9242     0.0506
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.911028
                0             6               4            6                0.946972
                0             6               5            1                0.932093
                0             6               6            1                0.927117
                1             6               2            6                0.918428
                1             6               7            1                0.933606
                1             6               8            1                0.950190
                2             6               3            6                0.909490
                2             6               9            1                0.928383
                2             6              10            1                0.940426
                3             6               4            6                0.919957
                3             6              11            1                0.934689
                3             6              12            1                0.943938
                4             6              13            1                0.936803
                4             6              14            1                0.935917
               15             6              16            6                0.931889
               15             6              19            6                0.905664
               15             6              20            1                0.935875
               15             6              21            1                0.943109
               16             6              17            6                0.911538
               16             6              22            1                0.940003
               16             6              23            1                0.941230
               17             6              18            6                0.920536
               17             6              24            1                0.935727
               17             6              25            1                0.935463
               18             6              19            6                0.902669
               18             6              26            1                0.933374
               18             6              27            1                0.940214
               19             6              28            1                0.935048
               19             6              29            1                0.945062
               30             6              31            6                0.918263
               30             6              34            6                0.912277
               30             6              35            1                0.934227
               30             6              36            1                0.932460
               31             6              32            6                0.908328
               31             6              37            1                0.931104
               31             6              38            1                0.934346
               32             6              33            6                0.904309
               32             6              39            1                0.933183
               32             6              40            1                0.930315
               33             6              34            6                0.903594
               33             6              41            1                0.934610
               33             6              42            1                0.935482
               34             6              43            1                0.948842
               34             6              44            1                0.939994
               45             6              46            6                0.902210
               45             6              49            6                0.916509
               45             6              50            1                0.924995
               45             6              51            1                0.955797
               46             6              47            6                0.916432
               46             6              52            1                0.942346
               46             6              53            1                0.929726
               47             6              48            6                0.919085
               47             6              54            1                0.936277
               47             6              55            1                0.933733
               48             6              49            6                0.921806
               48             6              56            1                0.941463
               48             6              57            1                0.933366
               49             6              58            1                0.946247
               49             6              59            1                0.930057
               60             6              61            6                0.933869
               60             6              64            6                0.911764
               60             6              65            1                0.933948
               60             6              66            1                0.941128
               61             6              62            6                0.919427
               61             6              67            1                0.935367
               61             6              68            1                0.936098
               62             6              63            6                0.908712
               62             6              69            1                0.934197
               62             6              70            1                0.945917
               63             6              64            6                0.928821
               63             6              71            1                0.937502
               63             6              72            1                0.950719
               64             6              73            1                0.934668
               64             6              74            1                0.937975
               75             6              76            6                0.913078
               75             6              79            6                0.888695
               75             6              80            1                0.948995
               75             6              81            1                0.934695
               76             6              77            6                0.928759
               76             6              82            1                0.939137
               76             6              83            1                0.944590
               77             6              78            6                0.929753
               77             6              84            1                0.939977
               77             6              85            1                0.933150
               78             6              79            6                0.873558
               78             6              86            1                0.937167
               78             6              87            1                0.941988
               79             6              88            1                0.947891
               79             6              89            1                0.932502
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1643760960
        Correlation Energy:       -5.0850331675
        Total MP2 Energy:      -1176.2494092635
# -----------------------------------------------------------
$ 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) :        0.5856266719
        Electronic Contribution:
                  0    
      0      -0.029676
      1      -0.953354
      2      -0.246907
        Nuclear Contribution:
                  0    
      0       0.184768
      1       0.787272
      2       0.208868
        Total Dipole moment:
                  0    
      0       0.155092
      1      -0.166082
      2      -0.038039
# -----------------------------------------------------------
$ 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) :        0.5865686164
        Electronic Contribution:
                  0    
      0      -0.028628
      1      -0.952844
      2      -0.247090
        Nuclear Contribution:
                  0    
      0       0.184768
      1       0.787272
      2       0.208868
        Total Dipole moment:
                  0    
      0       0.156140
      1      -0.165571
      2      -0.038222
# -----------------------------------------------------------
$ 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) :        0.5016285337
        Electronic Contribution:
                  0    
      0      -0.040136
      1      -0.919237
      2      -0.233661
        Nuclear Contribution:
                  0    
      0       0.184768
      1       0.787272
      2       0.208868
        Total Dipole moment:
                  0    
      0       0.144632
      1      -0.131964
      2      -0.024793
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     14.060000000000   14.020000000000   17.540000000000
               1 C     14.520000000000   13.430000000000   16.200000000000
               2 C     14.950000000000   14.510000000000   15.280000000000
               3 C     15.110000000000   15.780000000000   16.010000000000
               4 C     14.610000000000   15.380000000000   17.530000000000
               5 H     14.630000000000   13.390000000000   18.250000000000
               6 H     13.000000000000   14.000000000000   17.730000000000
               7 H     13.730000000000   12.860000000000   15.680000000000
               8 H     15.290000000000   12.700000000000   16.320000000000
               9 H     14.390000000000   14.670000000000   14.290000000000
              10 H     15.900000000000   14.150000000000   14.820000000000
              11 H     14.460000000000   16.530000000000   15.490000000000
              12 H     16.110000000000   16.110000000000   15.850000000000
              13 H     13.840000000000   16.110000000000   17.830000000000
              14 H     15.520000000000   15.450000000000   18.130000000000
              15 C     13.590000000000   20.270000000000   14.850000000000
              16 C     14.940000000000   19.700000000000   14.560000000000
              17 C     16.020000000000   20.810000000000   14.890000000000
              18 C     15.350000000000   21.690000000000   15.930000000000
              19 C     13.890000000000   21.480000000000   15.840000000000
              20 H     12.960000000000   19.580000000000   15.440000000000
              21 H     13.030000000000   20.600000000000   14.040000000000
              22 H     15.080000000000   19.510000000000   13.530000000000
              23 H     15.180000000000   18.790000000000   15.060000000000
              24 H     16.280000000000   21.390000000000   13.960000000000
              25 H     16.980000000000   20.460000000000   15.290000000000
              26 H     15.550000000000   22.760000000000   15.790000000000
              27 H     15.590000000000   21.350000000000   16.950000000000
              28 H     13.450000000000   22.460000000000   15.450000000000
              29 H     13.570000000000   21.330000000000   16.870000000000
              30 C     12.350000000000   12.770000000000   21.930000000000
              31 C     10.870000000000   13.280000000000   22.010000000000
              32 C     10.810000000000   14.400000000000   20.890000000000
              33 C     12.260000000000   14.810000000000   20.490000000000
              34 C     13.210000000000   13.850000000000   21.230000000000
              35 H     12.350000000000   11.780000000000   21.420000000000
              36 H     12.700000000000   12.620000000000   22.960000000000
              37 H     10.670000000000   13.750000000000   23.000000000000
              38 H     10.190000000000   12.430000000000   21.800000000000
              39 H     10.430000000000   15.330000000000   21.390000000000
              40 H     10.170000000000   14.160000000000   19.990000000000
              41 H     12.450000000000   15.840000000000   20.960000000000
              42 H     12.400000000000   14.830000000000   19.410000000000
              43 H     13.780000000000   14.410000000000   21.890000000000
              44 H     13.980000000000   13.490000000000   20.620000000000
              45 C     16.750000000000   11.140000000000   19.780000000000
              46 C     15.410000000000   10.390000000000   19.830000000000
              47 C     15.480000000000    9.520000000000   18.550000000000
              48 C     16.760000000000    9.860000000000   17.690000000000
              49 C     17.610000000000   10.750000000000   18.610000000000
              50 H     17.260000000000   11.100000000000   20.790000000000
              51 H     16.500000000000   12.190000000000   19.570000000000
              52 H     14.610000000000   11.130000000000   19.830000000000
              53 H     15.190000000000    9.860000000000   20.760000000000
              54 H     14.560000000000    9.800000000000   17.940000000000
              55 H     15.390000000000    8.480000000000   18.740000000000
              56 H     16.480000000000   10.360000000000   16.780000000000
              57 H     17.250000000000    8.940000000000   17.350000000000
              58 H     17.830000000000   11.730000000000   18.190000000000
              59 H     18.510000000000   10.240000000000   18.970000000000
              60 C     14.040000000000   10.310000000000   15.100000000000
              61 C     14.670000000000    8.940000000000   15.040000000000
              62 C     13.870000000000    8.100000000000   14.090000000000
              63 C     12.520000000000    8.840000000000   13.910000000000
              64 C     12.550000000000   10.220000000000   14.620000000000
              65 H     14.630000000000   11.050000000000   14.650000000000
              66 H     13.930000000000   10.460000000000   16.180000000000
              67 H     14.540000000000    8.510000000000   16.030000000000
              68 H     15.700000000000    8.810000000000   14.730000000000
              69 H     13.800000000000    7.050000000000   14.190000000000
              70 H     14.340000000000    8.320000000000   13.130000000000
              71 H     11.750000000000    8.160000000000   14.280000000000
              72 H     12.330000000000    8.850000000000   12.900000000000
              73 H     11.820000000000   10.350000000000   15.480000000000
              74 H     12.360000000000   11.040000000000   13.920000000000
              75 C     11.590000000000   10.320000000000   18.840000000000
              76 C     10.530000000000    9.420000000000   18.130000000000
              77 C      9.390000000000   10.380000000000   17.740000000000
              78 C      9.930000000000   11.850000000000   17.850000000000
              79 C     11.310000000000   11.800000000000   18.410000000000
              80 H     12.560000000000   10.060000000000   18.460000000000
              81 H     11.590000000000   10.160000000000   19.920000000000
              82 H     10.210000000000    8.650000000000   18.820000000000
              83 H     11.000000000000    8.930000000000   17.310000000000
              84 H      8.570000000000   10.260000000000   18.430000000000
              85 H      9.000000000000   10.200000000000   16.720000000000
              86 H      9.410000000000   12.580000000000   18.530000000000
              87 H      9.940000000000   12.450000000000   16.970000000000
              88 H     11.250000000000   12.320000000000   19.370000000000
              89 H     12.160000000000   12.140000000000   17.850000000000
