-------------------------------------------------------------
----------------------- !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:    -1171.1946326228
# -----------------------------------------------------------
$ 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     6.1391     6.0000    -0.1391     3.9064     3.9064     0.0000
  1   0     6.1718     6.0000    -0.1718     3.8893     3.8893    -0.0000
  2   0     6.1251     6.0000    -0.1251     3.8725     3.8725    -0.0000
  3   0     6.1720     6.0000    -0.1720     3.8987     3.8987    -0.0000
  4   0     6.1593     6.0000    -0.1593     3.9410     3.9410     0.0000
  5   0     0.9113     1.0000     0.0887     0.9781     0.9781     0.0000
  6   0     0.9177     1.0000     0.0823     0.9756     0.9756     0.0000
  7   0     0.9426     1.0000     0.0574     0.9849     0.9849    -0.0000
  8   0     0.9221     1.0000     0.0779     0.9810     0.9810    -0.0000
  9   0     0.9439     1.0000     0.0561     0.9888     0.9888    -0.0000
 10   0     0.9199     1.0000     0.0801     0.9771     0.9771    -0.0000
 11   0     0.9189     1.0000     0.0811     0.9728     0.9728     0.0000
 12   0     0.9281     1.0000     0.0719     0.9775     0.9775     0.0000
 13   0     0.9107     1.0000     0.0893     0.9741     0.9741     0.0000
 14   0     0.9181     1.0000     0.0819     0.9831     0.9831     0.0000
 15   0     6.1335     6.0000    -0.1335     3.9018     3.9018    -0.0000
 16   0     6.2168     6.0000    -0.2168     3.9338     3.9338    -0.0000
 17   0     6.1559     6.0000    -0.1559     3.8839     3.8839    -0.0000
 18   0     6.1826     6.0000    -0.1826     3.8861     3.8861    -0.0000
 19   0     6.1725     6.0000    -0.1725     3.8832     3.8832    -0.0000
 20   0     0.9269     1.0000     0.0731     0.9788     0.9788    -0.0000
 21   0     0.9387     1.0000     0.0613     0.9861     0.9861     0.0000
 22   0     0.8970     1.0000     0.1030     0.9706     0.9706     0.0000
 23   0     0.9158     1.0000     0.0842     0.9746     0.9746     0.0000
 24   0     0.8924     1.0000     0.1076     0.9698     0.9698    -0.0000
 25   0     0.9214     1.0000     0.0786     0.9766     0.9766    -0.0000
 26   0     0.9228     1.0000     0.0772     0.9788     0.9788    -0.0000
 27   0     0.9004     1.0000     0.0996     0.9685     0.9685    -0.0000
 28   0     0.9063     1.0000     0.0937     0.9716     0.9716    -0.0000
 29   0     0.9186     1.0000     0.0814     0.9827     0.9827     0.0000
 30   0     6.1550     6.0000    -0.1550     3.9285     3.9285    -0.0000
 31   0     6.1142     6.0000    -0.1142     3.8613     3.8613     0.0000
 32   0     6.1937     6.0000    -0.1937     3.9018     3.9018     0.0000
 33   0     6.1882     6.0000    -0.1882     3.8852     3.8852    -0.0000
 34   0     6.1095     6.0000    -0.1095     3.9138     3.9138     0.0000
 35   0     0.9119     1.0000     0.0881     0.9763     0.9763    -0.0000
 36   0     0.9514     1.0000     0.0486     1.0003     1.0003    -0.0000
 37   0     0.9363     1.0000     0.0637     0.9765     0.9765     0.0000
 38   0     0.9290     1.0000     0.0710     0.9801     0.9801     0.0000
 39   0     0.9031     1.0000     0.0969     0.9797     0.9797     0.0000
 40   0     0.9217     1.0000     0.0783     0.9724     0.9724     0.0000
 41   0     0.9203     1.0000     0.0797     0.9764     0.9764     0.0000
 42   0     0.9253     1.0000     0.0747     0.9725     0.9725     0.0000
 43   0     0.9187     1.0000     0.0813     0.9774     0.9774     0.0000
 44   0     0.9219     1.0000     0.0781     0.9883     0.9883     0.0000
 45   0     6.1677     6.0000    -0.1677     3.9264     3.9264    -0.0000
 46   0     6.1608     6.0000    -0.1608     3.8899     3.8899    -0.0000
 47   0     6.1800     6.0000    -0.1800     3.8986     3.8986    -0.0000
 48   0     6.1486     6.0000    -0.1486     3.8970     3.8970    -0.0000
 49   0     6.0976     6.0000    -0.0976     3.8769     3.8769    -0.0000
 50   0     0.9211     1.0000     0.0789     0.9776     0.9776    -0.0000
 51   0     0.9092     1.0000     0.0908     0.9774     0.9774    -0.0000
 52   0     0.9145     1.0000     0.0855     0.9757     0.9757     0.0000
 53   0     0.9268     1.0000     0.0732     0.9721     0.9721     0.0000
 54   0     0.9195     1.0000     0.0805     0.9748     0.9748    -0.0000
 55   0     0.9258     1.0000     0.0742     0.9722     0.9722    -0.0000
 56   0     0.9139     1.0000     0.0861     0.9751     0.9751    -0.0000
 57   0     0.9295     1.0000     0.0705     0.9754     0.9754    -0.0000
 58   0     0.9625     1.0000     0.0375     1.0006     1.0006    -0.0000
 59   0     0.9217     1.0000     0.0783     0.9786     0.9786    -0.0000
 60   0     6.1717     6.0000    -0.1717     3.9035     3.9035    -0.0000
 61   0     6.1604     6.0000    -0.1604     3.8558     3.8558    -0.0000
 62   0     6.1501     6.0000    -0.1501     3.9096     3.9096    -0.0000
 63   0     6.1749     6.0000    -0.1749     3.8995     3.8995     0.0000
 64   0     6.1406     6.0000    -0.1406     3.8990     3.8990    -0.0000
 65   0     0.9283     1.0000     0.0717     0.9744     0.9744    -0.0000
 66   0     0.8981     1.0000     0.1019     0.9743     0.9743    -0.0000
 67   0     0.9346     1.0000     0.0654     0.9829     0.9829    -0.0000
 68   0     0.9262     1.0000     0.0738     0.9714     0.9714     0.0000
 69   0     0.9206     1.0000     0.0794     0.9773     0.9773    -0.0000
 70   0     0.9113     1.0000     0.0887     0.9799     0.9799    -0.0000
 71   0     0.9180     1.0000     0.0820     0.9764     0.9764     0.0000
 72   0     0.9261     1.0000     0.0739     0.9740     0.9740    -0.0000
 73   0     0.9192     1.0000     0.0808     0.9751     0.9751    -0.0000
 74   0     0.9214     1.0000     0.0786     0.9782     0.9782    -0.0000
 75   0     6.1083     6.0000    -0.1083     3.9056     3.9056    -0.0000
 76   0     6.1531     6.0000    -0.1531     3.8705     3.8705    -0.0000
 77   0     6.2056     6.0000    -0.2056     3.9170     3.9170    -0.0000
 78   0     6.1384     6.0000    -0.1384     3.9137     3.9137    -0.0000
 79   0     6.1310     6.0000    -0.1310     3.9181     3.9181    -0.0000
 80   0     0.9218     1.0000     0.0782     0.9758     0.9758    -0.0000
 81   0     0.9288     1.0000     0.0712     0.9828     0.9828    -0.0000
 82   0     0.9415     1.0000     0.0585     0.9870     0.9870    -0.0000
 83   0     0.9229     1.0000     0.0771     0.9790     0.9790    -0.0000
 84   0     0.9090     1.0000     0.0910     0.9738     0.9738    -0.0000
 85   0     0.9200     1.0000     0.0800     0.9752     0.9752    -0.0000
 86   0     0.9158     1.0000     0.0842     0.9754     0.9754    -0.0000
 87   0     0.9280     1.0000     0.0720     0.9820     0.9820    -0.0000
 88   0     0.9463     1.0000     0.0537     0.9796     0.9796    -0.0000
 89   0     0.9262     1.0000     0.0738     0.9774     0.9774    -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                0.966068
                0             6               4            6                0.991359
                0             6               5            1                0.993723
                0             6               6            1                0.987467
                1             6               2            6                0.970801
                1             6               7            1                0.993999
                1             6               8            1                0.998272
                2             6               3            6                0.966603
                2             6               9            1                0.987858
                2             6              10            1                0.989701
                3             6               4            6                0.973421
                3             6              11            1                0.997563
                3             6              12            1                0.996239
                4             6              13            1                0.986098
                4             6              14            1                0.999448
               15             6              16            6                0.977333
               15             6              19            6                0.969799
               15             6              20            1                0.995525
               15             6              21            1                0.993008
               16             6              17            6                0.982965
               16             6              22            1                0.997952
               16             6              23            1                0.978871
               17             6              18            6                0.970625
               17             6              24            1                0.988928
               17             6              25            1                0.997885
               18             6              19            6                0.970512
               18             6              26            1                0.995458
               18             6              27            1                0.995839
               19             6              28            1                0.991910
               19             6              29            1                1.002838
               30             6              31            6                0.974634
               30             6              34            6                0.981156
               30             6              35            1                0.990933
               30             6              36            1                0.998187
               31             6              32            6                0.967838
               31             6              37            1                0.987409
               31             6              38            1                0.990040
               32             6              33            6                0.965801
               32             6              39            1                0.989042
               32             6              40            1                0.998594
               33             6              34            6                0.969341
               33             6              41            1                0.991154
               33             6              42            1                0.998706
               34             6              43            1                0.986541
               34             6              44            1                1.000122
               45             6              46            6                0.973424
               45             6              49            6                0.968158
               45             6              50            1                1.000048
               45             6              51            1                0.985710
               46             6              47            6                0.967364
               46             6              52            1                0.987900
               46             6              53            1                0.999271
               47             6              48            6                0.977061
               47             6              54            1                0.991475
               47             6              55            1                0.998083
               48             6              49            6                0.965592
               48             6              56            1                0.986245
               48             6              57            1                0.994698
               49             6              58            1                0.999504
               49             6              59            1                0.992788
               60             6              61            6                0.956211
               60             6              64            6                0.976599
               60             6              65            1                1.004806
               60             6              66            1                0.986139
               61             6              62            6                0.966861
               61             6              67            1                0.991671
               61             6              68            1                0.996160
               62             6              63            6                0.974065
               62             6              69            1                0.992681
               62             6              70            1                0.993197
               63             6              64            6                0.972098
               63             6              71            1                0.995922
               63             6              72            1                1.000131
               64             6              73            1                0.987183
               64             6              74            1                0.994990
               75             6              76            6                0.960998
               75             6              79            6                0.977517
               75             6              80            1                0.993506
               75             6              81            1                0.987070
               76             6              77            6                0.965080
               76             6              82            1                0.993226
               76             6              83            1                0.999414
               77             6              78            6                0.974863
               77             6              84            1                0.987858
               77             6              85            1                1.000879
               78             6              79            6                0.981379
               78             6              86            1                0.983846
               78             6              87            1                1.001920
               79             6              88            1                0.988048
               79             6              89            1                0.990480
# -----------------------------------------------------------
$ 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     6.1469     6.0000    -0.1469     4.0132     3.6932     0.3200
  1   0     6.1799     6.0000    -0.1799     4.0003     3.6731     0.3272
  2   0     6.1327     6.0000    -0.1327     3.9805     3.6623     0.3182
  3   0     6.1801     6.0000    -0.1801     4.0083     3.6890     0.3193
  4   0     6.1669     6.0000    -0.1669     4.0466     3.7311     0.3155
  5   0     0.9074     1.0000     0.0926     0.9872     0.9372     0.0500
  6   0     0.9139     1.0000     0.0861     0.9850     0.9304     0.0546
  7   0     0.9386     1.0000     0.0614     0.9951     0.9379     0.0572
  8   0     0.9182     1.0000     0.0818     0.9903     0.9388     0.0515
  9   0     0.9396     1.0000     0.0604     0.9990     0.9454     0.0536
 10   0     0.9158     1.0000     0.0842     0.9864     0.9367     0.0497
 11   0     0.9150     1.0000     0.0850     0.9825     0.9296     0.0529
 12   0     0.9240     1.0000     0.0760     0.9871     0.9337     0.0534
 13   0     0.9070     1.0000     0.0930     0.9832     0.9299     0.0533
 14   0     0.9143     1.0000     0.0857     0.9922     0.9437     0.0485
 15   0     6.1410     6.0000    -0.1410     4.0114     3.6810     0.3304
 16   0     6.2253     6.0000    -0.2253     4.0518     3.7065     0.3453
 17   0     6.1641     6.0000    -0.1641     3.9976     3.6609     0.3367
 18   0     6.1909     6.0000    -0.1909     3.9994     3.6767     0.3227
 19   0     6.1809     6.0000    -0.1809     3.9966     3.6753     0.3213
 20   0     0.9225     1.0000     0.0775     0.9879     0.9359     0.0520
 21   0     0.9353     1.0000     0.0647     0.9978     0.9405     0.0573
 22   0     0.8932     1.0000     0.1068     0.9794     0.9279     0.0515
 23   0     0.9109     1.0000     0.0891     0.9830     0.9298     0.0532
 24   0     0.8886     1.0000     0.1114     0.9784     0.9288     0.0496
 25   0     0.9174     1.0000     0.0826     0.9862     0.9293     0.0569
 26   0     0.9188     1.0000     0.0812     0.9882     0.9346     0.0536
 27   0     0.8964     1.0000     0.1036     0.9771     0.9261     0.0510
 28   0     0.9023     1.0000     0.0977     0.9801     0.9312     0.0489
 29   0     0.9139     1.0000     0.0861     0.9912     0.9379     0.0533
 30   0     6.1631     6.0000    -0.1631     4.0361     3.7147     0.3214
 31   0     6.1214     6.0000    -0.1214     3.9674     3.6462     0.3212
 32   0     6.2012     6.0000    -0.2012     4.0123     3.6948     0.3175
 33   0     6.1969     6.0000    -0.1969     3.9980     3.6711     0.3269
 34   0     6.1166     6.0000    -0.1166     4.0160     3.7125     0.3035
 35   0     0.9079     1.0000     0.0921     0.9854     0.9347     0.0507
 36   0     0.9478     1.0000     0.0522     1.0109     0.9559     0.0550
 37   0     0.9332     1.0000     0.0668     0.9884     0.9328     0.0556
 38   0     0.9248     1.0000     0.0752     0.9898     0.9360     0.0538
 39   0     0.8993     1.0000     0.1007     0.9885     0.9384     0.0501
 40   0     0.9178     1.0000     0.0822     0.9820     0.9283     0.0537
 41   0     0.9163     1.0000     0.0837     0.9858     0.9347     0.0511
 42   0     0.9212     1.0000     0.0788     0.9822     0.9276     0.0546
 43   0     0.9151     1.0000     0.0849     0.9872     0.9369     0.0503
 44   0     0.9178     1.0000     0.0822     0.9973     0.9511     0.0462
 45   0     6.1749     6.0000    -0.1749     4.0318     3.7204     0.3114
 46   0     6.1687     6.0000    -0.1687     3.9969     3.6825     0.3144
 47   0     6.1879     6.0000    -0.1879     4.0076     3.6912     0.3164
 48   0     6.1566     6.0000    -0.1566     4.0037     3.6878     0.3159
 49   0     6.1047     6.0000    -0.1047     3.9802     3.6709     0.3093
 50   0     0.9173     1.0000     0.0827     0.9871     0.9369     0.0502
 51   0     0.9055     1.0000     0.0945     0.9865     0.9358     0.0507
 52   0     0.9107     1.0000     0.0893     0.9850     0.9332     0.0518
 53   0     0.9229     1.0000     0.0771     0.9817     0.9274     0.0543
 54   0     0.9156     1.0000     0.0844     0.9844     0.9333     0.0511
 55   0     0.9219     1.0000     0.0781     0.9819     0.9271     0.0548
 56   0     0.9100     1.0000     0.0900     0.9841     0.9303     0.0538
 57   0     0.9256     1.0000     0.0744     0.9851     0.9318     0.0533
 58   0     0.9601     1.0000     0.0399     1.0138     0.9591     0.0547
 59   0     0.9174     1.0000     0.0826     0.9877     0.9372     0.0505
 60   0     6.1786     6.0000    -0.1786     4.0105     3.6940     0.3165
 61   0     6.1686     6.0000    -0.1686     3.9689     3.6391     0.3298
 62   0     6.1580     6.0000    -0.1580     4.0175     3.6975     0.3200
 63   0     6.1820     6.0000    -0.1820     4.0073     3.6922     0.3151
 64   0     6.1488     6.0000    -0.1488     4.0066     3.6906     0.3160
 65   0     0.9244     1.0000     0.0756     0.9843     0.9305     0.0538
 66   0     0.8945     1.0000     0.1055     0.9832     0.9331     0.0501
 67   0     0.9304     1.0000     0.0696     0.9930     0.9381     0.0549
 68   0     0.9221     1.0000     0.0779     0.9810     0.9283     0.0527
 69   0     0.9169     1.0000     0.0831     0.9869     0.9357     0.0512
 70   0     0.9076     1.0000     0.0924     0.9889     0.9402     0.0487
 71   0     0.9142     1.0000     0.0858     0.9858     0.9361     0.0497
 72   0     0.9224     1.0000     0.0776     0.9840     0.9321     0.0519
 73   0     0.9155     1.0000     0.0845     0.9848     0.9317     0.0531
 74   0     0.9174     1.0000     0.0826     0.9874     0.9371     0.0503
 75   0     6.1161     6.0000    -0.1161     4.0113     3.6975     0.3138
 76   0     6.1603     6.0000    -0.1603     3.9783     3.6606     0.3177
 77   0     6.2144     6.0000    -0.2144     4.0301     3.7056     0.3245
 78   0     6.1454     6.0000    -0.1454     4.0179     3.7051     0.3128
 79   0     6.1394     6.0000    -0.1394     4.0242     3.7068     0.3174
 80   0     0.9175     1.0000     0.0825     0.9854     0.9356     0.0498
 81   0     0.9246     1.0000     0.0754     0.9925     0.9394     0.0531
 82   0     0.9383     1.0000     0.0617     0.9981     0.9427     0.0554
 83   0     0.9189     1.0000     0.0811     0.9885     0.9366     0.0519
 84   0     0.9052     1.0000     0.0948     0.9830     0.9312     0.0518
 85   0     0.9157     1.0000     0.0843     0.9843     0.9337     0.0506
 86   0     0.9120     1.0000     0.0880     0.9849     0.9337     0.0512
 87   0     0.9241     1.0000     0.0759     0.9916     0.9418     0.0498
 88   0     0.9428     1.0000     0.0572     0.9907     0.9363     0.0544
 89   0     0.9219     1.0000     0.0781     0.9866     0.9340     0.0526
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.902949
                0             6               4            6                0.928099
                0             6               5            1                0.954107
                0             6               6            1                0.943516
                1             6               2            6                0.907224
                1             6               7            1                0.948178
                1             6               8            1                0.957270
                2             6               3            6                0.905615
                2             6               9            1                0.945146
                2             6              10            1                0.950242
                3             6               4            6                0.911920
                3             6              11            1                0.955433
                3             6              12            1                0.953654
                4             6              13            1                0.943324
                4             6              14            1                0.961333
               15             6              16            6                0.909319
               15             6              19            6                0.907255
               15             6              20            1                0.952884
               15             6              21            1                0.948621
               16             6              17            6                0.912538
               16             6              22            1                0.955963
               16             6              23            1                0.935701
               17             6              18            6                0.906633
               17             6              24            1                0.949354
               17             6              25            1                0.951670
               18             6              19            6                0.911779
               18             6              26            1                0.952820
               18             6              27            1                0.954520
               19             6              28            1                0.952548
               19             6              29            1                0.958780
               30             6              31            6                0.906428
               30             6              34            6                0.922473
               30             6              35            1                0.950680
               30             6              36            1                0.955234
               31             6              32            6                0.909244
               31             6              37            1                0.944923
               31             6              38            1                0.947413
               32             6              33            6                0.903332
               32             6              39            1                0.949629
               32             6              40            1                0.955726
               33             6              34            6                0.905282
               33             6              41            1                0.950950
               33             6              42            1                0.954752
               34             6              43            1                0.947528
               34             6              44            1                0.964227
               45             6              46            6                0.913843
               45             6              49            6                0.905550
               45             6              50            1                0.960453
               45             6              51            1                0.945687
               46             6              47            6                0.907378
               46             6              52            1                0.946882
               46             6              53            1                0.955693
               47             6              48            6                0.916807
               47             6              54            1                0.951378
               47             6              55            1                0.954124
               48             6              49            6                0.905660
               48             6              56            1                0.943182
               48             6              57            1                0.952404
               49             6              58            1                0.959329
               49             6              59            1                0.952799
               60             6              61            6                0.894731
               60             6              64            6                0.914918
               60             6              65            1                0.961797
               60             6              66            1                0.946467
               61             6              62            6                0.900515
               61             6              67            1                0.947731
               61             6              68            1                0.953758
               62             6              63            6                0.910773
               62             6              69            1                0.952132
               62             6              70            1                0.954854
               63             6              64            6                0.910736
               63             6              71            1                0.956874
               63             6              72            1                0.959300
               64             6              73            1                0.945214
               64             6              74            1                0.955210
               75             6              76            6                0.899864
               75             6              79            6                0.916086
               75             6              80            1                0.954241
               75             6              81            1                0.945094
               76             6              77            6                0.903218
               76             6              82            1                0.950366
               76             6              83            1                0.958302
               77             6              78            6                0.910562
               77             6              84            1                0.946637
               77             6              85            1                0.960461
               78             6              79            6                0.919559
               78             6              86            1                0.943667
               78             6              87            1                0.962837
               79             6              88            1                0.946010
               79             6              89            1                0.948598
# -----------------------------------------------------------
$ 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     6.1959     6.0000    -0.1959     4.0028     3.6870     0.3158
  1   0     6.2319     6.0000    -0.2319     3.9791     3.6562     0.3229
  2   0     6.2021     6.0000    -0.2021     3.9695     3.6554     0.3141
  3   0     6.2249     6.0000    -0.2249     3.9892     3.6745     0.3147
  4   0     6.2165     6.0000    -0.2165     4.0272     3.7157     0.3115
  5   0     0.8859     1.0000     0.1141     0.9805     0.9314     0.0491
  6   0     0.8914     1.0000     0.1086     0.9770     0.9234     0.0536
  7   0     0.9080     1.0000     0.0920     0.9868     0.9309     0.0559
  8   0     0.8897     1.0000     0.1103     0.9796     0.9294     0.0502
  9   0     0.9019     1.0000     0.0981     0.9879     0.9359     0.0520
 10   0     0.8922     1.0000     0.1078     0.9803     0.9317     0.0486
 11   0     0.8907     1.0000     0.1093     0.9753     0.9235     0.0518
 12   0     0.8956     1.0000     0.1044     0.9783     0.9262     0.0521
 13   0     0.8845     1.0000     0.1155     0.9751     0.9228     0.0523
 14   0     0.8897     1.0000     0.1103     0.9833     0.9358     0.0475
 15   0     6.1927     6.0000    -0.1927     3.9968     3.6711     0.3257
 16   0     6.2688     6.0000    -0.2688     4.0345     3.6938     0.3407
 17   0     6.2165     6.0000    -0.2165     3.9842     3.6518     0.3324
 18   0     6.2373     6.0000    -0.2373     3.9874     3.6694     0.3180
 19   0     6.2435     6.0000    -0.2435     3.9854     3.6688     0.3166
 20   0     0.8992     1.0000     0.1008     0.9865     0.9358     0.0507
 21   0     0.9110     1.0000     0.0890     0.9962     0.9404     0.0558
 22   0     0.8693     1.0000     0.1307     0.9700     0.9198     0.0502
 23   0     0.8884     1.0000     0.1116     0.9815     0.9296     0.0519
 24   0     0.8675     1.0000     0.1325     0.9727     0.9242     0.0485
 25   0     0.8922     1.0000     0.1078     0.9754     0.9196     0.0558
 26   0     0.8910     1.0000     0.1090     0.9786     0.9263     0.0523
 27   0     0.8731     1.0000     0.1269     0.9686     0.9187     0.0499
 28   0     0.8761     1.0000     0.1239     0.9740     0.9263     0.0477
 29   0     0.8817     1.0000     0.1183     0.9778     0.9261     0.0517
 30   0     6.2198     6.0000    -0.2198     4.0128     3.6955     0.3173
 31   0     6.1754     6.0000    -0.1754     3.9610     3.6442     0.3168
 32   0     6.2410     6.0000    -0.2410     3.9933     3.6804     0.3129
 33   0     6.2420     6.0000    -0.2420     3.9753     3.6526     0.3227
 34   0     6.1765     6.0000    -0.1765     3.9979     3.6982     0.2997
 35   0     0.8851     1.0000     0.1149     0.9775     0.9278     0.0497
 36   0     0.9091     1.0000     0.0909     1.0007     0.9472     0.0535
 37   0     0.9095     1.0000     0.0905     0.9895     0.9352     0.0543
 38   0     0.9006     1.0000     0.0994     0.9806     0.9279     0.0527
 39   0     0.8749     1.0000     0.1251     0.9807     0.9318     0.0489
 40   0     0.8941     1.0000     0.1059     0.9728     0.9201     0.0527
 41   0     0.8914     1.0000     0.1086     0.9816     0.9317     0.0499
 42   0     0.8965     1.0000     0.1035     0.9735     0.9200     0.0535
 43   0     0.8910     1.0000     0.1090     0.9833     0.9342     0.0491
 44   0     0.8914     1.0000     0.1086     0.9872     0.9420     0.0452
 45   0     6.2204     6.0000    -0.2204     4.0134     3.7059     0.3075
 46   0     6.2175     6.0000    -0.2175     3.9851     3.6749     0.3102
 47   0     6.2366     6.0000    -0.2366     3.9807     3.6685     0.3122
 48   0     6.2016     6.0000    -0.2016     3.9846     3.6731     0.3115
 49   0     6.1731     6.0000    -0.1731     3.9794     3.6738     0.3056
 50   0     0.8914     1.0000     0.1086     0.9776     0.9285     0.0491
 51   0     0.8833     1.0000     0.1167     0.9799     0.9302     0.0497
 52   0     0.8864     1.0000     0.1136     0.9771     0.9264     0.0507
 53   0     0.8972     1.0000     0.1028     0.9736     0.9203     0.0533
 54   0     0.8911     1.0000     0.1089     0.9774     0.9274     0.0500
 55   0     0.8941     1.0000     0.1059     0.9729     0.9193     0.0536
 56   0     0.8865     1.0000     0.1135     0.9775     0.9247     0.0528
 57   0     0.9008     1.0000     0.0992     0.9773     0.9249     0.0524
 58   0     0.9264     1.0000     0.0736     1.0110     0.9577     0.0533
 59   0     0.8926     1.0000     0.1074     0.9787     0.9293     0.0494
 60   0     6.2242     6.0000    -0.2242     3.9885     3.6762     0.3123
 61   0     6.2269     6.0000    -0.2269     3.9645     3.6390     0.3255
 62   0     6.2102     6.0000    -0.2102     3.9950     3.6787     0.3163
 63   0     6.2383     6.0000    -0.2383     3.9874     3.6761     0.3113
 64   0     6.2021     6.0000    -0.2021     3.9890     3.6768     0.3122
 65   0     0.8970     1.0000     0.1030     0.9745     0.9218     0.0527
 66   0     0.8725     1.0000     0.1275     0.9779     0.9289     0.0490
 67   0     0.8973     1.0000     0.1027     0.9828     0.9293     0.0535
 68   0     0.8945     1.0000     0.1055     0.9724     0.9209     0.0515
 69   0     0.8919     1.0000     0.1081     0.9788     0.9286     0.0502
 70   0     0.8836     1.0000     0.1164     0.9815     0.9338     0.0477
 71   0     0.8858     1.0000     0.1142     0.9762     0.9277     0.0485
 72   0     0.8938     1.0000     0.1062     0.9740     0.9232     0.0508
 73   0     0.8908     1.0000     0.1092     0.9769     0.9248     0.0521
 74   0     0.8912     1.0000     0.1088     0.9785     0.9293     0.0492
 75   0     6.1764     6.0000    -0.1764     3.9947     3.6849     0.3098
 76   0     6.2118     6.0000    -0.2118     3.9625     3.6492     0.3133
 77   0     6.2560     6.0000    -0.2560     4.0042     3.6839     0.3203
 78   0     6.1974     6.0000    -0.1974     3.9970     3.6881     0.3089
 79   0     6.1887     6.0000    -0.1887     3.9983     3.6852     0.3131
 80   0     0.8951     1.0000     0.1049     0.9782     0.9294     0.0488
 81   0     0.8939     1.0000     0.1061     0.9857     0.9340     0.0517
 82   0     0.9065     1.0000     0.0935     0.9893     0.9353     0.0540
 83   0     0.8924     1.0000     0.1076     0.9781     0.9274     0.0507
 84   0     0.8828     1.0000     0.1172     0.9766     0.9259     0.0507
 85   0     0.8919     1.0000     0.1081     0.9753     0.9257     0.0496
 86   0     0.8894     1.0000     0.1106     0.9797     0.9296     0.0501
 87   0     0.8977     1.0000     0.1023     0.9824     0.9337     0.0487
 88   0     0.9165     1.0000     0.0835     0.9970     0.9439     0.0531
 89   0     0.8971     1.0000     0.1029     0.9786     0.9271     0.0515
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.917996
                0             6               4            6                0.935906
                0             6               5            1                0.941447
                0             6               6            1                0.927669
                1             6               2            6                0.909177
                1             6               7            1                0.931682
                1             6               8            1                0.943454
                2             6               3            6                0.915227
                2             6               9            1                0.934393
                2             6              10            1                0.938414
                3             6               4            6                0.921185
                3             6              11            1                0.938704
                3             6              12            1                0.941476
                4             6              13            1                0.928233
                4             6              14            1                0.949629
               15             6              16            6                0.915447
               15             6              19            6                0.917546
               15             6              20            1                0.940587
               15             6              21            1                0.931686
               16             6              17            6                0.918539
               16             6              22            1                0.941686
               16             6              23            1                0.919421
               17             6              18            6                0.919956
               17             6              24            1                0.936779
               17             6              25            1                0.930724
               18             6              19            6                0.923310
               18             6              26            1                0.936744
               18             6              27            1                0.937469
               19             6              28            1                0.939811
               19             6              29            1                0.937451
               30             6              31            6                0.913076
               30             6              34            6                0.930175
               30             6              35            1                0.937608
               30             6              36            1                0.939895
               31             6              32            6                0.926930
               31             6              37            1                0.932160
               31             6              38            1                0.931505
               32             6              33            6                0.910378
               32             6              39            1                0.936162
               32             6              40            1                0.936834
               33             6              34            6                0.911648
               33             6              41            1                0.939668
               33             6              42            1                0.938538
               34             6              43            1                0.935175
               34             6              44            1                0.953930
               45             6              46            6                0.923146
               45             6              49            6                0.915424
               45             6              50            1                0.947871
               45             6              51            1                0.933258
               46             6              47            6                0.919328
               46             6              52            1                0.932462
               46             6              53            1                0.941408
               47             6              48            6                0.921687
               47             6              54            1                0.936913
               47             6              55            1                0.938743
               48             6              49            6                0.920981
               48             6              56            1                0.928627
               48             6              57            1                0.938544
               49             6              58            1                0.949092
               49             6              59            1                0.936184
               60             6              61            6                0.902360
               60             6              64            6                0.922274
               60             6              65            1                0.946818
               60             6              66            1                0.935182
               61             6              62            6                0.906562
               61             6              67            1                0.933304
               61             6              68            1                0.945340
               62             6              63            6                0.913861
               62             6              69            1                0.939750
               62             6              70            1                0.945347
               63             6              64            6                0.918367
               63             6              71            1                0.945216
               63             6              72            1                0.946304
               64             6              73            1                0.931459
               64             6              74            1                0.943362
               75             6              76            6                0.913411
               75             6              79            6                0.921568
               75             6              80            1                0.941261
               75             6              81            1                0.931996
               76             6              77            6                0.910832
               76             6              82            1                0.934521
               76             6              83            1                0.941993
               77             6              78            6                0.916256
               77             6              84            1                0.931213
               77             6              85            1                0.946044
               78             6              79            6                0.927386
               78             6              86            1                0.931764
               78             6              87            1                0.950664
               79             6              88            1                0.933672
               79             6              89            1                0.932779
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1946326228
        Correlation Energy:       -5.0676372481
        Total MP2 Energy:      -1176.2622698708
# -----------------------------------------------------------
$ 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) :        0.3180772857
        Electronic Contribution:
                  0    
      0      -0.390239
      1      -0.728394
      2      -0.558780
        Nuclear Contribution:
                  0    
      0       0.473970
      1       0.723005
      2       0.465937
        Total Dipole moment:
                  0    
      0       0.083731
      1      -0.005389
      2      -0.092843
# -----------------------------------------------------------
$ 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) :        0.3202675367
        Electronic Contribution:
                  0    
      0      -0.387468
      1      -0.727524
      2      -0.557442
        Nuclear Contribution:
                  0    
      0       0.473970
      1       0.723005
      2       0.465937
        Total Dipole moment:
                  0    
      0       0.086502
      1      -0.004519
      2      -0.091505
# -----------------------------------------------------------
$ 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) :        0.3154740962
        Electronic Contribution:
                  0    
      0      -0.362201
      1      -0.707803
      2      -0.517716
        Nuclear Contribution:
                  0    
      0       0.473970
      1       0.723005
      2       0.465937
        Total Dipole moment:
                  0    
      0       0.111769
      1       0.015202
      2      -0.051779
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     12.330000000000   22.200000000000   16.970000000000
               1 C     13.690000000000   22.780000000000   16.560000000000
               2 C     14.800000000000   21.860000000000   17.120000000000
               3 C     14.130000000000   21.130000000000   18.250000000000
               4 C     12.620000000000   21.160000000000   18.090000000000
               5 H     11.900000000000   21.830000000000   16.060000000000
               6 H     11.720000000000   23.070000000000   17.380000000000
               7 H     13.790000000000   23.880000000000   16.880000000000
               8 H     13.780000000000   22.870000000000   15.500000000000
               9 H     15.620000000000   22.490000000000   17.510000000000
              10 H     15.110000000000   21.170000000000   16.380000000000
              11 H     14.530000000000   21.580000000000   19.170000000000
              12 H     14.470000000000   20.080000000000   18.290000000000
              13 H     12.190000000000   21.370000000000   19.110000000000
              14 H     12.300000000000   20.210000000000   17.830000000000
              15 C     18.270000000000   23.980000000000   18.190000000000
              16 C     18.320000000000   22.430000000000   18.620000000000
              17 C     19.930000000000   22.150000000000   18.540000000000
              18 C     20.650000000000   23.530000000000   18.560000000000
              19 C     19.700000000000   24.480000000000   17.950000000000
              20 H     17.830000000000   24.580000000000   18.980000000000
              21 H     17.660000000000   24.040000000000   17.260000000000
              22 H     17.960000000000   21.730000000000   17.880000000000
              23 H     17.790000000000   22.190000000000   19.600000000000
              24 H     20.360000000000   21.550000000000   17.780000000000
              25 H     20.240000000000   21.590000000000   19.490000000000
              26 H     21.600000000000   23.410000000000   18.000000000000
              27 H     20.980000000000   23.860000000000   19.550000000000
              28 H     19.910000000000   24.690000000000   16.950000000000
              29 H     19.800000000000   25.480000000000   18.450000000000
              30 C     17.350000000000   22.110000000000   13.970000000000
              31 C     17.410000000000   23.690000000000   14.050000000000
              32 C     18.800000000000   24.130000000000   13.780000000000
              33 C     19.620000000000   22.910000000000   14.200000000000
              34 C     18.720000000000   21.650000000000   14.300000000000
              35 H     16.940000000000   21.890000000000   12.990000000000
              36 H     16.580000000000   21.870000000000   14.710000000000
              37 H     17.060000000000   24.020000000000   15.030000000000
              38 H     16.700000000000   23.980000000000   13.250000000000
              39 H     19.110000000000   25.080000000000   14.170000000000
              40 H     19.030000000000   24.270000000000   12.700000000000
              41 H     20.200000000000   23.120000000000   15.070000000000
              42 H     20.360000000000   22.670000000000   13.390000000000
              43 H     18.870000000000   21.280000000000   15.280000000000
              44 H     19.040000000000   21.000000000000   13.610000000000
              45 C     16.920000000000   18.840000000000   21.410000000000
              46 C     18.090000000000   18.630000000000   22.300000000000
              47 C     18.270000000000   19.900000000000   23.080000000000
              48 C     17.090000000000   20.800000000000   22.920000000000
              49 C     16.460000000000   20.300000000000   21.670000000000
              50 H     16.210000000000   18.150000000000   21.770000000000
              51 H     17.100000000000   18.570000000000   20.370000000000
              52 H     19.000000000000   18.300000000000   21.780000000000
              53 H     17.910000000000   17.830000000000   23.070000000000
              54 H     19.170000000000   20.430000000000   22.850000000000
              55 H     18.400000000000   19.700000000000   24.180000000000
              56 H     17.390000000000   21.900000000000   22.850000000000
              57 H     16.400000000000   20.630000000000   23.780000000000
              58 H     16.770000000000   20.960000000000   20.930000000000
              59 H     15.390000000000   20.360000000000   21.770000000000
              60 C     21.790000000000   28.210000000000   18.810000000000
              61 C     21.940000000000   26.960000000000   19.650000000000
              62 C     23.340000000000   27.000000000000   20.420000000000
              63 C     23.970000000000   28.350000000000   19.980000000000
              64 C     23.110000000000   29.000000000000   18.900000000000
              65 H     21.050000000000   28.790000000000   19.380000000000
              66 H     21.320000000000   28.000000000000   17.860000000000
              67 H     21.760000000000   26.070000000000   18.970000000000
              68 H     21.230000000000   26.970000000000   20.480000000000
              69 H     23.990000000000   26.220000000000   20.060000000000
              70 H     23.200000000000   26.900000000000   21.460000000000
              71 H     24.980000000000   28.300000000000   19.710000000000
              72 H     24.090000000000   28.960000000000   20.850000000000
              73 H     23.720000000000   29.050000000000   17.970000000000
              74 H     22.950000000000   30.020000000000   19.160000000000
              75 C     16.830000000000   27.140000000000   17.090000000000
              76 C     15.590000000000   26.690000000000   16.350000000000
              77 C     14.430000000000   27.010000000000   17.270000000000
              78 C     15.050000000000   27.240000000000   18.690000000000
              79 C     16.550000000000   27.170000000000   18.570000000000
              80 H     16.950000000000   28.120000000000   16.720000000000
              81 H     17.670000000000   26.470000000000   16.830000000000
              82 H     15.590000000000   25.640000000000   16.030000000000
              83 H     15.330000000000   27.190000000000   15.430000000000
              84 H     13.610000000000   26.290000000000   17.300000000000
              85 H     13.960000000000   27.920000000000   16.930000000000
              86 H     14.770000000000   26.530000000000   19.460000000000
              87 H     14.830000000000   28.230000000000   18.940000000000
              88 H     17.010000000000   26.280000000000   19.010000000000
              89 H     16.950000000000   28.130000000000   18.950000000000
