-------------------------------------------------------------
----------------------- !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:    -1171.1919641108
# -----------------------------------------------------------
$ 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     6.1665     6.0000    -0.1665     3.8946     3.8946     0.0000
  1   0     6.1547     6.0000    -0.1547     3.9359     3.9359    -0.0000
  2   0     6.1208     6.0000    -0.1208     3.8272     3.8272    -0.0000
  3   0     6.1858     6.0000    -0.1858     3.9269     3.9269    -0.0000
  4   0     6.1951     6.0000    -0.1951     3.8960     3.8960    -0.0000
  5   0     0.9175     1.0000     0.0825     0.9727     0.9727     0.0000
  6   0     0.9008     1.0000     0.0992     0.9744     0.9744     0.0000
  7   0     0.9289     1.0000     0.0711     0.9909     0.9909    -0.0000
  8   0     0.9042     1.0000     0.0958     0.9734     0.9734    -0.0000
  9   0     0.9485     1.0000     0.0515     0.9824     0.9824    -0.0000
 10   0     0.9204     1.0000     0.0796     0.9870     0.9870    -0.0000
 11   0     0.9002     1.0000     0.0998     0.9741     0.9741    -0.0000
 12   0     0.9164     1.0000     0.0836     0.9766     0.9766    -0.0000
 13   0     0.9103     1.0000     0.0897     0.9727     0.9727    -0.0000
 14   0     0.9276     1.0000     0.0724     0.9805     0.9805    -0.0000
 15   0     6.1619     6.0000    -0.1619     3.8764     3.8764     0.0000
 16   0     6.1773     6.0000    -0.1773     3.8955     3.8955    -0.0000
 17   0     6.1540     6.0000    -0.1540     3.8904     3.8904     0.0000
 18   0     6.1631     6.0000    -0.1631     3.9388     3.9388    -0.0000
 19   0     6.0796     6.0000    -0.0796     3.8748     3.8748    -0.0000
 20   0     0.9370     1.0000     0.0630     0.9879     0.9879    -0.0000
 21   0     0.9233     1.0000     0.0767     0.9771     0.9771     0.0000
 22   0     0.9196     1.0000     0.0804     0.9765     0.9765    -0.0000
 23   0     0.9185     1.0000     0.0815     0.9774     0.9774     0.0000
 24   0     0.9387     1.0000     0.0613     0.9770     0.9770     0.0000
 25   0     0.9048     1.0000     0.0952     0.9720     0.9720     0.0000
 26   0     0.9200     1.0000     0.0800     0.9736     0.9736    -0.0000
 27   0     0.9221     1.0000     0.0779     0.9792     0.9792    -0.0000
 28   0     0.9229     1.0000     0.0771     0.9796     0.9796     0.0000
 29   0     0.9623     1.0000     0.0377     0.9933     0.9933    -0.0000
 30   0     6.1460     6.0000    -0.1460     3.9121     3.9121     0.0000
 31   0     6.1220     6.0000    -0.1220     3.8874     3.8874     0.0000
 32   0     6.1412     6.0000    -0.1412     3.8701     3.8701    -0.0000
 33   0     6.1692     6.0000    -0.1692     3.9004     3.9004    -0.0000
 34   0     6.1699     6.0000    -0.1699     3.9073     3.9073    -0.0000
 35   0     0.9229     1.0000     0.0771     0.9773     0.9773    -0.0000
 36   0     0.9284     1.0000     0.0716     0.9826     0.9826    -0.0000
 37   0     0.9304     1.0000     0.0696     0.9826     0.9826     0.0000
 38   0     0.9232     1.0000     0.0768     0.9911     0.9911    -0.0000
 39   0     0.9416     1.0000     0.0584     0.9909     0.9909    -0.0000
 40   0     0.9261     1.0000     0.0739     0.9776     0.9776    -0.0000
 41   0     0.9233     1.0000     0.0767     0.9726     0.9726    -0.0000
 42   0     0.9211     1.0000     0.0789     0.9833     0.9833    -0.0000
 43   0     0.9208     1.0000     0.0792     0.9744     0.9744    -0.0000
 44   0     0.9164     1.0000     0.0836     0.9763     0.9763    -0.0000
 45   0     6.1582     6.0000    -0.1582     3.9074     3.9074    -0.0000
 46   0     6.1533     6.0000    -0.1533     3.8950     3.8950    -0.0000
 47   0     6.1767     6.0000    -0.1767     3.8929     3.8929    -0.0000
 48   0     6.1221     6.0000    -0.1221     3.8871     3.8871    -0.0000
 49   0     6.1750     6.0000    -0.1750     3.9208     3.9208    -0.0000
 50   0     0.9191     1.0000     0.0809     0.9773     0.9773    -0.0000
 51   0     0.9160     1.0000     0.0840     0.9779     0.9779    -0.0000
 52   0     0.9244     1.0000     0.0756     0.9778     0.9778    -0.0000
 53   0     0.9175     1.0000     0.0825     0.9761     0.9761    -0.0000
 54   0     0.9048     1.0000     0.0952     0.9768     0.9768    -0.0000
 55   0     0.9199     1.0000     0.0801     0.9736     0.9736    -0.0000
 56   0     0.9204     1.0000     0.0796     0.9760     0.9760    -0.0000
 57   0     0.9565     1.0000     0.0435     0.9877     0.9877    -0.0000
 58   0     0.9175     1.0000     0.0825     0.9793     0.9793    -0.0000
 59   0     0.9194     1.0000     0.0806     0.9737     0.9737    -0.0000
 60   0     6.1776     6.0000    -0.1776     3.9319     3.9319    -0.0000
 61   0     6.1466     6.0000    -0.1466     3.9022     3.9022     0.0000
 62   0     6.0746     6.0000    -0.0746     3.8319     3.8319     0.0000
 63   0     6.2232     6.0000    -0.2232     3.8823     3.8823    -0.0000
 64   0     6.1430     6.0000    -0.1430     3.9425     3.9425    -0.0000
 65   0     0.9255     1.0000     0.0745     0.9769     0.9769     0.0000
 66   0     0.9159     1.0000     0.0841     0.9802     0.9802    -0.0000
 67   0     0.9190     1.0000     0.0810     0.9735     0.9735     0.0000
 68   0     0.9181     1.0000     0.0819     0.9723     0.9723     0.0000
 69   0     0.8858     1.0000     0.1142     0.9743     0.9743     0.0000
 70   0     1.0092     1.0000    -0.0092     1.0143     1.0143     0.0000
 71   0     0.9160     1.0000     0.0840     0.9672     0.9672    -0.0000
 72   0     0.9241     1.0000     0.0759     0.9694     0.9694     0.0000
 73   0     0.9034     1.0000     0.0966     0.9771     0.9771    -0.0000
 74   0     0.9223     1.0000     0.0777     0.9761     0.9761    -0.0000
 75   0     6.1228     6.0000    -0.1228     3.9004     3.9004     0.0000
 76   0     6.2172     6.0000    -0.2172     3.8765     3.8765     0.0000
 77   0     6.1732     6.0000    -0.1732     3.8903     3.8903     0.0000
 78   0     6.1169     6.0000    -0.1169     3.8735     3.8735    -0.0000
 79   0     6.2081     6.0000    -0.2081     3.9196     3.9196     0.0000
 80   0     0.9084     1.0000     0.0916     0.9732     0.9732     0.0000
 81   0     0.9213     1.0000     0.0787     0.9761     0.9761     0.0000
 82   0     0.8961     1.0000     0.1039     0.9651     0.9651     0.0000
 83   0     0.9174     1.0000     0.0826     0.9625     0.9625     0.0000
 84   0     0.9131     1.0000     0.0869     0.9720     0.9720     0.0000
 85   0     0.9303     1.0000     0.0697     0.9623     0.9623     0.0000
 86   0     0.9090     1.0000     0.0910     0.9804     0.9804     0.0000
 87   0     0.9227     1.0000     0.0773     0.9753     0.9753    -0.0000
 88   0     0.9119     1.0000     0.0881     0.9701     0.9701     0.0000
 89   0     0.9210     1.0000     0.0790     0.9745     0.9745     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                0.995100
                0             6               4            6                0.964961
                0             6               5            1                0.990783
                0             6               6            1                0.995661
                1             6               2            6                0.975592
                1             6               7            1                1.001941
                1             6               8            1                0.976903
                2             6               3            6                0.964371
                2             6               9            1                0.991607
                2             6              10            1                0.990928
                3             6               4            6                0.998216
                3             6              11            1                0.987257
                3             6              12            1                0.989637
                4             6              13            1                0.983780
                4             6              14            1                0.991532
               15             6              16            6                0.965457
               15             6              19            6                0.964391
               15             6              20            1                0.993271
               15             6              21            1                0.987494
               16             6              17            6                0.960932
               16             6              22            1                1.006090
               16             6              23            1                0.987321
               17             6              18            6                0.985130
               17             6              24            1                1.001747
               17             6              25            1                0.981726
               18             6              19            6                0.965328
               18             6              26            1                1.000890
               18             6              27            1                0.987541
               19             6              28            1                0.990326
               19             6              29            1                1.005437
               30             6              31            6                0.975135
               30             6              34            6                0.971876
               30             6              35            1                0.994980
               30             6              36            1                0.993834
               31             6              32            6                0.960277
               31             6              37            1                0.986446
               31             6              38            1                0.993158
               32             6              33            6                0.965062
               32             6              39            1                0.985109
               32             6              40            1                1.001594
               33             6              34            6                0.979461
               33             6              41            1                0.983217
               33             6              42            1                1.001265
               34             6              43            1                0.990964
               34             6              44            1                0.992955
               45             6              46            6                0.969746
               45             6              49            6                0.972958
               45             6              50            1                0.995700
               45             6              51            1                0.999536
               46             6              47            6                0.973042
               46             6              52            1                0.997261
               46             6              53            1                0.990161
               47             6              48            6                0.965805
               47             6              54            1                0.984298
               47             6              55            1                0.996678
               48             6              49            6                0.980030
               48             6              56            1                0.987382
               48             6              57            1                0.994519
               49             6              58            1                0.992743
               49             6              59            1                0.994456
               60             6              61            6                0.983518
               60             6              64            6                0.992698
               60             6              65            1                0.989504
               60             6              66            1                0.993657
               61             6              62            6                0.954890
               61             6              67            1                0.986989
               61             6              68            1                0.994432
               62             6              63            6                0.945768
               62             6              69            1                0.977234
               62             6              70            1                1.018100
               63             6              64            6                0.979088
               63             6              71            1                0.978174
               63             6              72            1                1.003131
               64             6              73            1                0.991679
               64             6              74            1                1.003121
               75             6              76            6                0.960626
               75             6              79            6                0.995617
               75             6              80            1                0.990863
               75             6              81            1                0.985788
               76             6              77            6                0.969891
               76             6              82            1                0.982608
               76             6              83            1                1.003245
               77             6              78            6                0.969702
               77             6              84            1                0.983053
               77             6              85            1                0.999818
               78             6              79            6                0.967247
               78             6              86            1                0.988835
               78             6              87            1                0.998294
               79             6              88            1                0.992050
               79             6              89            1                0.997095
# -----------------------------------------------------------
$ 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     6.1743     6.0000    -0.1743     4.0058     3.6796     0.3262
  1   0     6.1635     6.0000    -0.1635     4.0483     3.7111     0.3372
  2   0     6.1288     6.0000    -0.1288     3.9400     3.6068     0.3332
  3   0     6.1948     6.0000    -0.1948     4.0424     3.7080     0.3344
  4   0     6.2030     6.0000    -0.2030     4.0098     3.6832     0.3266
  5   0     0.9133     1.0000     0.0867     0.9818     0.9278     0.0540
  6   0     0.8972     1.0000     0.1028     0.9835     0.9324     0.0511
  7   0     0.9246     1.0000     0.0754     1.0001     0.9442     0.0559
  8   0     0.9001     1.0000     0.0999     0.9822     0.9300     0.0522
  9   0     0.9451     1.0000     0.0549     0.9943     0.9366     0.0577
 10   0     0.9159     1.0000     0.0841     0.9958     0.9419     0.0539
 11   0     0.8961     1.0000     0.1039     0.9825     0.9301     0.0524
 12   0     0.9122     1.0000     0.0878     0.9856     0.9320     0.0536
 13   0     0.9061     1.0000     0.0939     0.9816     0.9283     0.0533
 14   0     0.9232     1.0000     0.0768     0.9897     0.9398     0.0499
 15   0     6.1688     6.0000    -0.1688     3.9846     3.6600     0.3246
 16   0     6.1850     6.0000    -0.1850     4.0049     3.6848     0.3201
 17   0     6.1614     6.0000    -0.1614     3.9969     3.6810     0.3159
 18   0     6.1711     6.0000    -0.1711     4.0449     3.7315     0.3134
 19   0     6.0873     6.0000    -0.0873     3.9769     3.6688     0.3081
 20   0     0.9338     1.0000     0.0662     0.9993     0.9448     0.0545
 21   0     0.9193     1.0000     0.0807     0.9867     0.9325     0.0542
 22   0     0.9157     1.0000     0.0843     0.9860     0.9373     0.0487
 23   0     0.9148     1.0000     0.0852     0.9872     0.9342     0.0530
 24   0     0.9347     1.0000     0.0653     0.9870     0.9321     0.0549
 25   0     0.9011     1.0000     0.0989     0.9810     0.9314     0.0496
 26   0     0.9160     1.0000     0.0840     0.9830     0.9322     0.0508
 27   0     0.9182     1.0000     0.0818     0.9887     0.9374     0.0513
 28   0     0.9187     1.0000     0.0813     0.9888     0.9388     0.0500
 29   0     0.9591     1.0000     0.0409     1.0049     0.9521     0.0528
 30   0     6.1544     6.0000    -0.1544     4.0199     3.7027     0.3172
 31   0     6.1299     6.0000    -0.1299     3.9954     3.6787     0.3167
 32   0     6.1490     6.0000    -0.1490     3.9790     3.6613     0.3177
 33   0     6.1779     6.0000    -0.1779     4.0105     3.6919     0.3186
 34   0     6.1776     6.0000    -0.1776     4.0142     3.7004     0.3138
 35   0     0.9187     1.0000     0.0813     0.9867     0.9363     0.0504
 36   0     0.9244     1.0000     0.0756     0.9923     0.9404     0.0519
 37   0     0.9266     1.0000     0.0734     0.9929     0.9397     0.0532
 38   0     0.9189     1.0000     0.0811     0.9998     0.9517     0.0481
 39   0     0.9372     1.0000     0.0628     1.0007     0.9478     0.0529
 40   0     0.9219     1.0000     0.0781     0.9873     0.9358     0.0515
 41   0     0.9195     1.0000     0.0805     0.9823     0.9255     0.0568
 42   0     0.9169     1.0000     0.0831     0.9923     0.9447     0.0476
 43   0     0.9170     1.0000     0.0830     0.9839     0.9323     0.0516
 44   0     0.9125     1.0000     0.0875     0.9855     0.9348     0.0507
 45   0     6.1657     6.0000    -0.1657     4.0150     3.7001     0.3149
 46   0     6.1614     6.0000    -0.1614     4.0036     3.6834     0.3202
 47   0     6.1845     6.0000    -0.1845     4.0045     3.6799     0.3246
 48   0     6.1292     6.0000    -0.1292     3.9924     3.6788     0.3136
 49   0     6.1830     6.0000    -0.1830     4.0295     3.7120     0.3175
 50   0     0.9153     1.0000     0.0847     0.9868     0.9358     0.0510
 51   0     0.9122     1.0000     0.0878     0.9873     0.9377     0.0496
 52   0     0.9205     1.0000     0.0795     0.9875     0.9370     0.0505
 53   0     0.9137     1.0000     0.0863     0.9854     0.9338     0.0516
 54   0     0.9008     1.0000     0.0992     0.9857     0.9342     0.0515
 55   0     0.9160     1.0000     0.0840     0.9832     0.9284     0.0548
 56   0     0.9164     1.0000     0.0836     0.9854     0.9346     0.0508
 57   0     0.9526     1.0000     0.0474     0.9988     0.9438     0.0550
 58   0     0.9134     1.0000     0.0866     0.9884     0.9384     0.0500
 59   0     0.9155     1.0000     0.0845     0.9830     0.9307     0.0523
 60   0     6.1847     6.0000    -0.1847     4.0394     3.7172     0.3222
 61   0     6.1558     6.0000    -0.1558     4.0135     3.6904     0.3231
 62   0     6.0828     6.0000    -0.0828     3.9407     3.6149     0.3258
 63   0     6.2314     6.0000    -0.2314     3.9975     3.6714     0.3261
 64   0     6.1511     6.0000    -0.1511     4.0496     3.7321     0.3175
 65   0     0.9219     1.0000     0.0781     0.9873     0.9340     0.0533
 66   0     0.9119     1.0000     0.0881     0.9894     0.9392     0.0502
 67   0     0.9149     1.0000     0.0851     0.9830     0.9300     0.0530
 68   0     0.9141     1.0000     0.0859     0.9818     0.9282     0.0536
 69   0     0.8817     1.0000     0.1183     0.9823     0.9299     0.0524
 70   0     1.0047     1.0000    -0.0047     1.0257     0.9660     0.0597
 71   0     0.9120     1.0000     0.0880     0.9770     0.9213     0.0557
 72   0     0.9196     1.0000     0.0804     0.9783     0.9279     0.0504
 73   0     0.8994     1.0000     0.1006     0.9857     0.9372     0.0485
 74   0     0.9183     1.0000     0.0817     0.9855     0.9344     0.0511
 75   0     6.1307     6.0000    -0.1307     4.0065     3.6882     0.3183
 76   0     6.2253     6.0000    -0.2253     3.9922     3.6622     0.3300
 77   0     6.1821     6.0000    -0.1821     4.0033     3.6789     0.3244
 78   0     6.1243     6.0000    -0.1243     3.9796     3.6679     0.3117
 79   0     6.2159     6.0000    -0.2159     4.0316     3.7077     0.3239
 80   0     0.9045     1.0000     0.0955     0.9821     0.9331     0.0490
 81   0     0.9175     1.0000     0.0825     0.9857     0.9290     0.0567
 82   0     0.8921     1.0000     0.1079     0.9737     0.9192     0.0545
 83   0     0.9134     1.0000     0.0866     0.9720     0.9175     0.0545
 84   0     0.9089     1.0000     0.0911     0.9812     0.9282     0.0530
 85   0     0.9258     1.0000     0.0742     0.9720     0.9173     0.0547
 86   0     0.9050     1.0000     0.0950     0.9892     0.9401     0.0491
 87   0     0.9189     1.0000     0.0811     0.9847     0.9326     0.0521
 88   0     0.9082     1.0000     0.0918     0.9795     0.9259     0.0536
 89   0     0.9172     1.0000     0.0828     0.9840     0.9297     0.0543
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.927664
                0             6               4            6                0.904308
                0             6               5            1                0.947005
                0             6               6            1                0.954754
                1             6               2            6                0.909557
                1             6               7            1                0.956549
                1             6               8            1                0.935116
                2             6               3            6                0.901014
                2             6               9            1                0.946636
                2             6              10            1                0.946905
                3             6               4            6                0.931790
                3             6              11            1                0.944632
                3             6              12            1                0.946465
                4             6              13            1                0.940608
                4             6              14            1                0.951732
               15             6              16            6                0.899205
               15             6              19            6                0.902512
               15             6              20            1                0.951375
               15             6              21            1                0.944216
               16             6              17            6                0.899929
               16             6              22            1                0.967720
               16             6              23            1                0.945536
               17             6              18            6                0.923230
               17             6              24            1                0.957815
               17             6              25            1                0.942748
               18             6              19            6                0.904360
               18             6              26            1                0.960675
               18             6              27            1                0.947212
               19             6              28            1                0.950883
               19             6              29            1                0.964656
               30             6              31            6                0.911346
               30             6              34            6                0.910369
               30             6              35            1                0.955229
               30             6              36            1                0.952901
               31             6              32            6                0.899396
               31             6              37            1                0.944764
               31             6              38            1                0.955261
               32             6              33            6                0.903177
               32             6              39            1                0.943404
               32             6              40            1                0.960626
               33             6              34            6                0.918543
               33             6              41            1                0.937726
               33             6              42            1                0.964081
               34             6              43            1                0.950189
               34             6              44            1                0.952826
               45             6              46            6                0.906714
               45             6              49            6                0.911098
               45             6              50            1                0.955318
               45             6              51            1                0.960453
               46             6              47            6                0.908328
               46             6              52            1                0.957750
               46             6              53            1                0.949182
               47             6              48            6                0.905980
               47             6              54            1                0.943284
               47             6              55            1                0.952557
               48             6              49            6                0.918074
               48             6              56            1                0.947068
               48             6              57            1                0.951704
               49             6              58            1                0.953137
               49             6              59            1                0.952559
               60             6              61            6                0.920287
               60             6              64            6                0.926144
               60             6              65            1                0.947741
               60             6              66            1                0.953861
               61             6              62            6                0.894272
               61             6              67            1                0.944983
               61             6              68            1                0.951700
               62             6              63            6                0.884220
               62             6              69            1                0.934372
               62             6              70            1                0.970176
               63             6              64            6                0.917776
               63             6              71            1                0.934081
               63             6              72            1                0.962354
               64             6              73            1                0.953126
               64             6              74            1                0.962245
               75             6              76            6                0.898422
               75             6              79            6                0.933641
               75             6              80            1                0.952101
               75             6              81            1                0.940221
               76             6              77            6                0.909755
               76             6              82            1                0.938217
               76             6              83            1                0.958672
               77             6              78            6                0.908632
               77             6              84            1                0.940740
               77             6              85            1                0.955336
               78             6              79            6                0.906673
               78             6              86            1                0.950194
               78             6              87            1                0.956463
               79             6              88            1                0.949326
               79             6              89            1                0.953690
# -----------------------------------------------------------
$ 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     6.2226     6.0000    -0.2226     3.9974     3.6760     0.3214
  1   0     6.2131     6.0000    -0.2131     4.0284     3.6959     0.3325
  2   0     6.1842     6.0000    -0.1842     3.9357     3.6076     0.3281
  3   0     6.2373     6.0000    -0.2373     4.0202     3.6907     0.3295
  4   0     6.2601     6.0000    -0.2601     4.0092     3.6874     0.3218
  5   0     0.8890     1.0000     0.1110     0.9733     0.9205     0.0528
  6   0     0.8723     1.0000     0.1277     0.9774     0.9275     0.0499
  7   0     0.8946     1.0000     0.1054     0.9885     0.9340     0.0545
  8   0     0.8818     1.0000     0.1182     0.9763     0.9250     0.0513
  9   0     0.9229     1.0000     0.0771     0.9955     0.9392     0.0563
 10   0     0.8929     1.0000     0.1071     0.9880     0.9354     0.0526
 11   0     0.8715     1.0000     0.1285     0.9744     0.9233     0.0511
 12   0     0.8892     1.0000     0.1108     0.9774     0.9249     0.0525
 13   0     0.8823     1.0000     0.1177     0.9748     0.9227     0.0521
 14   0     0.8929     1.0000     0.1071     0.9799     0.9315     0.0484
 15   0     6.2100     6.0000    -0.2100     3.9626     3.6426     0.3200
 16   0     6.2360     6.0000    -0.2360     3.9815     3.6654     0.3161
 17   0     6.2158     6.0000    -0.2158     3.9835     3.6716     0.3119
 18   0     6.2129     6.0000    -0.2129     4.0111     3.7017     0.3094
 19   0     6.1606     6.0000    -0.1606     3.9652     3.6610     0.3042
 20   0     0.9069     1.0000     0.0931     0.9953     0.9422     0.0531
 21   0     0.8959     1.0000     0.1041     0.9804     0.9273     0.0531
 22   0     0.8889     1.0000     0.1111     0.9767     0.9291     0.0476
 23   0     0.8901     1.0000     0.1099     0.9798     0.9279     0.0519
 24   0     0.9046     1.0000     0.0954     0.9767     0.9230     0.0537
 25   0     0.8792     1.0000     0.1208     0.9760     0.9274     0.0486
 26   0     0.8926     1.0000     0.1074     0.9760     0.9262     0.0498
 27   0     0.8937     1.0000     0.1063     0.9826     0.9324     0.0502
 28   0     0.8933     1.0000     0.1067     0.9810     0.9321     0.0489
 29   0     0.9220     1.0000     0.0780     0.9980     0.9466     0.0514
 30   0     6.2133     6.0000    -0.2133     3.9959     3.6826     0.3133
 31   0     6.1900     6.0000    -0.1900     3.9773     3.6646     0.3127
 32   0     6.2034     6.0000    -0.2034     3.9611     3.6479     0.3132
 33   0     6.2247     6.0000    -0.2247     3.9811     3.6669     0.3142
 34   0     6.2247     6.0000    -0.2247     3.9826     3.6729     0.3097
 35   0     0.8941     1.0000     0.1059     0.9800     0.9306     0.0494
 36   0     0.8935     1.0000     0.1065     0.9845     0.9339     0.0506
 37   0     0.8994     1.0000     0.1006     0.9935     0.9416     0.0519
 38   0     0.8921     1.0000     0.1079     0.9896     0.9427     0.0469
 39   0     0.9063     1.0000     0.0937     0.9918     0.9402     0.0516
 40   0     0.8955     1.0000     0.1045     0.9792     0.9288     0.0504
 41   0     0.8942     1.0000     0.1058     0.9765     0.9208     0.0557
 42   0     0.8912     1.0000     0.1088     0.9852     0.9388     0.0464
 43   0     0.8914     1.0000     0.1086     0.9774     0.9269     0.0505
 44   0     0.8881     1.0000     0.1119     0.9789     0.9293     0.0496
 45   0     6.2187     6.0000    -0.2187     3.9926     3.6814     0.3112
 46   0     6.2155     6.0000    -0.2155     3.9875     3.6711     0.3164
 47   0     6.2268     6.0000    -0.2268     3.9895     3.6694     0.3201
 48   0     6.1936     6.0000    -0.1936     3.9840     3.6745     0.3095
 49   0     6.2274     6.0000    -0.2274     4.0086     3.6953     0.3133
 50   0     0.8895     1.0000     0.1105     0.9779     0.9280     0.0499
 51   0     0.8868     1.0000     0.1132     0.9783     0.9298     0.0485
 52   0     0.8954     1.0000     0.1046     0.9787     0.9292     0.0495
 53   0     0.8887     1.0000     0.1113     0.9767     0.9261     0.0506
 54   0     0.8786     1.0000     0.1214     0.9783     0.9279     0.0504
 55   0     0.8924     1.0000     0.1076     0.9756     0.9219     0.0537
 56   0     0.8899     1.0000     0.1101     0.9764     0.9267     0.0497
 57   0     0.9178     1.0000     0.0822     0.9889     0.9355     0.0534
 58   0     0.8884     1.0000     0.1116     0.9802     0.9313     0.0489
 59   0     0.8907     1.0000     0.1093     0.9760     0.9248     0.0512
 60   0     6.2279     6.0000    -0.2279     4.0188     3.7007     0.3181
 61   0     6.2006     6.0000    -0.2006     3.9983     3.6797     0.3186
 62   0     6.1579     6.0000    -0.1579     3.9497     3.6285     0.3212
 63   0     6.2788     6.0000    -0.2788     3.9829     3.6616     0.3213
 64   0     6.2049     6.0000    -0.2049     4.0243     3.7107     0.3136
 65   0     0.8971     1.0000     0.1029     0.9830     0.9309     0.0521
 66   0     0.8888     1.0000     0.1112     0.9817     0.9326     0.0491
 67   0     0.8938     1.0000     0.1062     0.9760     0.9240     0.0520
 68   0     0.8889     1.0000     0.1111     0.9769     0.9246     0.0523
 69   0     0.8608     1.0000     0.1392     0.9740     0.9227     0.0513
 70   0     0.9503     1.0000     0.0497     1.0129     0.9552     0.0577
 71   0     0.8891     1.0000     0.1109     0.9711     0.9166     0.0545
 72   0     0.8894     1.0000     0.1106     0.9696     0.9206     0.0490
 73   0     0.8777     1.0000     0.1223     0.9788     0.9313     0.0475
 74   0     0.8941     1.0000     0.1059     0.9787     0.9286     0.0501
 75   0     6.1826     6.0000    -0.1826     4.0055     3.6915     0.3140
 76   0     6.2740     6.0000    -0.2740     3.9898     3.6646     0.3252
 77   0     6.2298     6.0000    -0.2298     3.9887     3.6688     0.3199
 78   0     6.1835     6.0000    -0.1835     3.9770     3.6693     0.3077
 79   0     6.2541     6.0000    -0.2541     4.0128     3.6934     0.3194
 80   0     0.8836     1.0000     0.1164     0.9765     0.9285     0.0480
 81   0     0.8956     1.0000     0.1044     0.9767     0.9209     0.0558
 82   0     0.8704     1.0000     0.1296     0.9659     0.9124     0.0535
 83   0     0.8822     1.0000     0.1178     0.9613     0.9083     0.0530
 84   0     0.8871     1.0000     0.1129     0.9730     0.9210     0.0520
 85   0     0.8952     1.0000     0.1048     0.9666     0.9136     0.0530
 86   0     0.8830     1.0000     0.1170     0.9805     0.9324     0.0481
 87   0     0.8907     1.0000     0.1093     0.9787     0.9278     0.0509
 88   0     0.8851     1.0000     0.1149     0.9702     0.9176     0.0526
 89   0     0.8912     1.0000     0.1088     0.9740     0.9208     0.0532
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.935451
                0             6               4            6                0.919230
                0             6               5            1                0.929800
                0             6               6            1                0.940652
                1             6               2            6                0.919509
                1             6               7            1                0.937539
                1             6               8            1                0.921241
                2             6               3            6                0.914278
                2             6               9            1                0.931504
                2             6              10            1                0.925645
                3             6               4            6                0.932711
                3             6              11            1                0.929355
                3             6              12            1                0.931548
                4             6              13            1                0.926559
                4             6              14            1                0.939838
               15             6              16            6                0.902565
               15             6              19            6                0.908409
               15             6              20            1                0.941108
               15             6              21            1                0.932432
               16             6              17            6                0.907734
               16             6              22            1                0.956833
               16             6              23            1                0.931713
               17             6              18            6                0.930745
               17             6              24            1                0.943803
               17             6              25            1                0.932121
               18             6              19            6                0.910362
               18             6              26            1                0.946068
               18             6              27            1                0.935258
               19             6              28            1                0.938388
               19             6              29            1                0.954322
               30             6              31            6                0.915590
               30             6              34            6                0.915877
               30             6              35            1                0.942170
               30             6              36            1                0.941916
               31             6              32            6                0.905011
               31             6              37            1                0.932089
               31             6              38            1                0.943780
               32             6              33            6                0.911324
               32             6              39            1                0.930313
               32             6              40            1                0.947548
               33             6              34            6                0.920000
               33             6              41            1                0.920838
               33             6              42            1                0.954257
               34             6              43            1                0.937544
               34             6              44            1                0.939620
               45             6              46            6                0.912152
               45             6              49            6                0.918666
               45             6              50            1                0.943851
               45             6              51            1                0.946267
               46             6              47            6                0.914723
               46             6              52            1                0.944381
               46             6              53            1                0.937215
               47             6              48            6                0.921121
               47             6              54            1                0.931497
               47             6              55            1                0.936201
               48             6              49            6                0.922940
               48             6              56            1                0.935326
               48             6              57            1                0.938012
               49             6              58            1                0.940796
               49             6              59            1                0.940074
               60             6              61            6                0.929999
               60             6              64            6                0.926055
               60             6              65            1                0.935539
               60             6              66            1                0.941682
               61             6              62            6                0.913228
               61             6              67            1                0.927782
               61             6              68            1                0.935994
               62             6              63            6                0.897072
               62             6              69            1                0.913866
               62             6              70            1                0.956644
               63             6              64            6                0.925354
               63             6              71            1                0.915340
               63             6              72            1                0.951296
               64             6              73            1                0.941676
               64             6              74            1                0.946766
               75             6              76            6                0.910825
               75             6              79            6                0.948680
               75             6              80            1                0.942800
               75             6              81            1                0.920113
               76             6              77            6                0.922270
               76             6              82            1                0.920923
               76             6              83            1                0.945083
               77             6              78            6                0.920733
               77             6              84            1                0.923720
               77             6              85            1                0.938050
               78             6              79            6                0.917547
               78             6              86            1                0.934632
               78             6              87            1                0.944169
               79             6              88            1                0.931013
               79             6              89            1                0.936185
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1919641108
        Correlation Energy:       -5.0790243688
        Total MP2 Energy:      -1176.2709884796
# -----------------------------------------------------------
$ 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) :        0.5699094975
        Electronic Contribution:
                  0    
      0       0.507666
      1      -0.162530
      2       0.762206
        Nuclear Contribution:
                  0    
      0      -0.377569
      1      -0.008033
      2      -0.827439
        Total Dipole moment:
                  0    
      0       0.130097
      1      -0.170564
      2      -0.065233
# -----------------------------------------------------------
$ 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) :        0.5687311621
        Electronic Contribution:
                  0    
      0       0.507057
      1      -0.161795
      2       0.760684
        Nuclear Contribution:
                  0    
      0      -0.377569
      1      -0.008033
      2      -0.827439
        Total Dipole moment:
                  0    
      0       0.129487
      1      -0.169828
      2      -0.066755
# -----------------------------------------------------------
$ 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) :        0.4763876899
        Electronic Contribution:
                  0    
      0       0.458970
      1      -0.136354
      2       0.739958
        Nuclear Contribution:
                  0    
      0      -0.377569
      1      -0.008033
      2      -0.827439
        Total Dipole moment:
                  0    
      0       0.081401
      1      -0.144388
      2      -0.087481
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     20.200000000000   13.140000000000   22.100000000000
               1 C     18.920000000000   13.420000000000   21.210000000000
               2 C     17.740000000000   12.860000000000   22.080000000000
               3 C     18.190000000000   13.090000000000   23.540000000000
               4 C     19.760000000000   12.970000000000   23.530000000000
               5 H     20.860000000000   14.040000000000   22.020000000000
               6 H     20.760000000000   12.300000000000   21.720000000000
               7 H     19.120000000000   12.790000000000   20.280000000000
               8 H     18.650000000000   14.480000000000   20.990000000000
               9 H     17.570000000000   11.780000000000   21.880000000000
              10 H     16.760000000000   13.370000000000   21.860000000000
              11 H     17.680000000000   12.310000000000   24.140000000000
              12 H     17.850000000000   14.110000000000   23.860000000000
              13 H     20.110000000000   11.970000000000   23.890000000000
              14 H     20.080000000000   13.720000000000   24.180000000000
              15 C     16.020000000000   13.650000000000   27.040000000000
              16 C     15.000000000000   14.830000000000   26.690000000000
              17 C     14.880000000000   15.680000000000   27.930000000000
              18 C     15.510000000000   14.900000000000   29.080000000000
              19 C     16.280000000000   13.730000000000   28.510000000000
              20 H     16.920000000000   13.820000000000   26.460000000000
              21 H     15.620000000000   12.610000000000   26.940000000000
              22 H     14.070000000000   14.430000000000   26.510000000000
              23 H     15.260000000000   15.360000000000   25.750000000000
              24 H     13.780000000000   15.650000000000   28.070000000000
              25 H     15.150000000000   16.710000000000   27.790000000000
              26 H     14.710000000000   14.500000000000   29.680000000000
              27 H     16.150000000000   15.550000000000   29.670000000000
              28 H     16.040000000000   12.820000000000   29.030000000000
              29 H     17.290000000000   13.940000000000   28.540000000000
              30 C     20.280000000000    9.790000000000   19.170000000000
              31 C     18.920000000000    9.770000000000   19.910000000000
              32 C     17.980000000000    9.980000000000   18.750000000000
              33 C     18.690000000000   10.660000000000   17.600000000000
              34 C     20.170000000000   10.550000000000   17.880000000000
              35 H     20.560000000000    8.790000000000   18.910000000000
              36 H     21.000000000000   10.310000000000   19.780000000000
              37 H     18.880000000000   10.540000000000   20.700000000000
              38 H     18.710000000000    8.810000000000   20.230000000000
              39 H     17.080000000000   10.540000000000   19.010000000000
              40 H     17.750000000000    9.040000000000   18.290000000000
              41 H     18.320000000000   11.770000000000   17.510000000000
              42 H     18.480000000000   10.170000000000   16.730000000000
              43 H     20.620000000000   11.530000000000   18.000000000000
              44 H     20.760000000000   10.000000000000   17.160000000000
              45 C     25.840000000000   12.560000000000   23.010000000000
              46 C     25.340000000000   11.700000000000   21.830000000000
              47 C     23.820000000000   11.470000000000   22.120000000000
              48 C     23.600000000000   11.800000000000   23.580000000000
              49 C     24.720000000000   12.680000000000   24.070000000000
              50 H     26.160000000000   13.520000000000   22.650000000000
              51 H     26.730000000000   12.090000000000   23.300000000000
              52 H     25.820000000000   10.750000000000   21.790000000000
              53 H     25.530000000000   12.190000000000   20.870000000000
              54 H     23.470000000000   10.470000000000   21.800000000000
              55 H     23.330000000000   12.240000000000   21.460000000000
              56 H     23.530000000000   10.960000000000   24.240000000000
              57 H     22.710000000000   12.370000000000   23.820000000000
              58 H     25.040000000000   12.310000000000   25.020000000000
              59 H     24.350000000000   13.720000000000   24.170000000000
              60 C     21.950000000000   13.710000000000   26.990000000000
              61 C     21.050000000000   12.480000000000   27.000000000000
              62 C     19.610000000000   12.940000000000   27.060000000000
              63 C     19.650000000000   14.360000000000   27.590000000000
              64 C     21.020000000000   14.950000000000   27.360000000000
              65 H     22.430000000000   13.820000000000   26.010000000000
              66 H     22.670000000000   13.510000000000   27.750000000000
              67 H     21.380000000000   11.880000000000   27.880000000000
              68 H     21.180000000000   11.860000000000   26.090000000000
              69 H     18.770000000000   12.320000000000   27.510000000000
              70 H     19.280000000000   13.080000000000   25.990000000000
              71 H     19.360000000000   14.480000000000   28.700000000000
              72 H     19.010000000000   14.950000000000   27.000000000000
              73 H     21.390000000000   15.500000000000   28.190000000000
              74 H     20.930000000000   15.580000000000   26.490000000000
              75 C     13.850000000000   12.440000000000   19.440000000000
              76 C     14.790000000000   12.470000000000   20.650000000000
              77 C     15.000000000000   11.060000000000   21.110000000000
              78 C     14.370000000000   10.110000000000   20.120000000000
              79 C     13.390000000000   10.990000000000   19.360000000000
              80 H     14.340000000000   12.770000000000   18.560000000000
              81 H     12.920000000000   13.120000000000   19.660000000000
              82 H     14.610000000000   13.230000000000   21.500000000000
              83 H     15.720000000000   12.870000000000   20.220000000000
              84 H     14.610000000000   10.930000000000   22.150000000000
              85 H     16.070000000000   10.760000000000   21.180000000000
              86 H     13.970000000000    9.220000000000   20.540000000000
              87 H     15.150000000000    9.720000000000   19.470000000000
              88 H     12.330000000000   10.870000000000   19.680000000000
              89 H     13.230000000000   10.620000000000   18.320000000000
