-------------------------------------------------------------
----------------------- !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:    -1171.2101143520
# -----------------------------------------------------------
$ 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     6.0795     6.0000    -0.0795     3.8629     3.8629     0.0000
  1   0     6.1494     6.0000    -0.1494     3.9031     3.9031     0.0000
  2   0     6.1801     6.0000    -0.1801     3.9310     3.9310     0.0000
  3   0     6.0981     6.0000    -0.0981     3.8606     3.8606     0.0000
  4   0     6.2128     6.0000    -0.2128     3.9347     3.9347     0.0000
  5   0     0.9766     1.0000     0.0234     0.9999     0.9999     0.0000
  6   0     0.9343     1.0000     0.0657     0.9929     0.9929     0.0000
  7   0     0.9222     1.0000     0.0778     0.9765     0.9765     0.0000
  8   0     0.9362     1.0000     0.0638     0.9805     0.9805     0.0000
  9   0     0.9192     1.0000     0.0808     0.9788     0.9788     0.0000
 10   0     0.9154     1.0000     0.0846     0.9790     0.9790     0.0000
 11   0     0.9178     1.0000     0.0822     0.9737     0.9737    -0.0000
 12   0     0.9411     1.0000     0.0589     0.9835     0.9835     0.0000
 13   0     0.9164     1.0000     0.0836     0.9720     0.9720     0.0000
 14   0     0.9114     1.0000     0.0886     0.9738     0.9738     0.0000
 15   0     6.1879     6.0000    -0.1879     3.9101     3.9101     0.0000
 16   0     6.1519     6.0000    -0.1519     3.9184     3.9184     0.0000
 17   0     6.1607     6.0000    -0.1607     3.8876     3.8876    -0.0000
 18   0     6.1540     6.0000    -0.1540     3.8868     3.8868     0.0000
 19   0     6.1412     6.0000    -0.1412     3.8626     3.8626    -0.0000
 20   0     0.9212     1.0000     0.0788     0.9751     0.9751     0.0000
 21   0     0.9063     1.0000     0.0937     0.9755     0.9755     0.0000
 22   0     0.9120     1.0000     0.0880     0.9762     0.9762    -0.0000
 23   0     0.9119     1.0000     0.0881     0.9802     0.9802     0.0000
 24   0     0.9249     1.0000     0.0751     0.9826     0.9826     0.0000
 25   0     0.9229     1.0000     0.0771     0.9764     0.9764    -0.0000
 26   0     0.9173     1.0000     0.0827     0.9784     0.9784     0.0000
 27   0     0.9490     1.0000     0.0510     0.9918     0.9918     0.0000
 28   0     0.9204     1.0000     0.0796     0.9725     0.9725    -0.0000
 29   0     0.9217     1.0000     0.0783     0.9716     0.9716    -0.0000
 30   0     6.1491     6.0000    -0.1491     3.9116     3.9116     0.0000
 31   0     6.1776     6.0000    -0.1776     3.8826     3.8826    -0.0000
 32   0     6.1846     6.0000    -0.1846     3.8257     3.8257    -0.0000
 33   0     6.2113     6.0000    -0.2113     3.8776     3.8776     0.0000
 34   0     6.1347     6.0000    -0.1347     3.9070     3.9070     0.0000
 35   0     0.9185     1.0000     0.0815     0.9767     0.9767     0.0000
 36   0     0.9065     1.0000     0.0935     0.9741     0.9741     0.0000
 37   0     0.9176     1.0000     0.0824     0.9767     0.9767    -0.0000
 38   0     0.9095     1.0000     0.0905     0.9759     0.9759    -0.0000
 39   0     0.9200     1.0000     0.0800     0.9729     0.9729    -0.0000
 40   0     0.9283     1.0000     0.0717     0.9782     0.9782    -0.0000
 41   0     0.9082     1.0000     0.0918     0.9719     0.9719     0.0000
 42   0     0.9113     1.0000     0.0887     0.9729     0.9729     0.0000
 43   0     0.9154     1.0000     0.0846     0.9803     0.9803    -0.0000
 44   0     0.9040     1.0000     0.0960     0.9732     0.9732    -0.0000
 45   0     6.1936     6.0000    -0.1936     3.8893     3.8893     0.0000
 46   0     6.1603     6.0000    -0.1603     3.9067     3.9067    -0.0000
 47   0     6.1352     6.0000    -0.1352     3.9072     3.9072     0.0000
 48   0     6.1689     6.0000    -0.1689     3.9011     3.9011    -0.0000
 49   0     6.1690     6.0000    -0.1690     3.9123     3.9123     0.0000
 50   0     0.9228     1.0000     0.0772     0.9742     0.9742     0.0000
 51   0     0.9139     1.0000     0.0861     0.9745     0.9745     0.0000
 52   0     0.9167     1.0000     0.0833     0.9765     0.9765    -0.0000
 53   0     0.9087     1.0000     0.0913     0.9772     0.9772    -0.0000
 54   0     0.9053     1.0000     0.0947     0.9793     0.9793    -0.0000
 55   0     0.9280     1.0000     0.0720     0.9748     0.9748     0.0000
 56   0     0.9272     1.0000     0.0728     0.9743     0.9743    -0.0000
 57   0     0.9117     1.0000     0.0883     0.9770     0.9770    -0.0000
 58   0     0.8985     1.0000     0.1015     0.9747     0.9747    -0.0000
 59   0     0.9306     1.0000     0.0694     0.9776     0.9776    -0.0000
 60   0     6.2131     6.0000    -0.2131     3.9028     3.9028     0.0000
 61   0     6.1647     6.0000    -0.1647     3.8605     3.8605    -0.0000
 62   0     6.1454     6.0000    -0.1454     3.9075     3.9075    -0.0000
 63   0     6.1804     6.0000    -0.1804     3.9130     3.9130    -0.0000
 64   0     6.1136     6.0000    -0.1136     3.8706     3.8706    -0.0000
 65   0     0.8910     1.0000     0.1090     0.9720     0.9720     0.0000
 66   0     0.9295     1.0000     0.0705     0.9734     0.9734     0.0000
 67   0     0.9400     1.0000     0.0600     0.9823     0.9823     0.0000
 68   0     0.9179     1.0000     0.0821     0.9759     0.9759     0.0000
 69   0     0.9155     1.0000     0.0845     0.9783     0.9783    -0.0000
 70   0     0.9119     1.0000     0.0881     0.9778     0.9778    -0.0000
 71   0     0.9074     1.0000     0.0926     0.9738     0.9738     0.0000
 72   0     0.9253     1.0000     0.0747     0.9804     0.9804    -0.0000
 73   0     0.9257     1.0000     0.0743     0.9774     0.9774    -0.0000
 74   0     0.9207     1.0000     0.0793     0.9779     0.9779    -0.0000
 75   0     6.1242     6.0000    -0.1242     3.8989     3.8989    -0.0000
 76   0     6.2063     6.0000    -0.2063     3.8834     3.8834    -0.0000
 77   0     6.1719     6.0000    -0.1719     3.8663     3.8663     0.0000
 78   0     6.1252     6.0000    -0.1252     3.8868     3.8868     0.0000
 79   0     6.1579     6.0000    -0.1579     3.9150     3.9150     0.0000
 80   0     0.8994     1.0000     0.1006     0.9729     0.9729    -0.0000
 81   0     0.9202     1.0000     0.0798     0.9849     0.9849    -0.0000
 82   0     0.9010     1.0000     0.0990     0.9699     0.9699     0.0000
 83   0     0.9467     1.0000     0.0533     0.9746     0.9746     0.0000
 84   0     0.9243     1.0000     0.0757     0.9728     0.9728     0.0000
 85   0     0.9113     1.0000     0.0887     0.9720     0.9720     0.0000
 86   0     0.9253     1.0000     0.0747     0.9784     0.9784     0.0000
 87   0     0.9350     1.0000     0.0650     0.9761     0.9761     0.0000
 88   0     0.9268     1.0000     0.0732     0.9755     0.9755     0.0000
 89   0     0.9217     1.0000     0.0783     0.9866     0.9866    -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                0.952661
                0             6               4            6                0.977715
                0             6               5            1                0.991385
                0             6               6            1                0.994908
                1             6               2            6                0.982974
                1             6               7            1                0.999536
                1             6               8            1                0.995321
                2             6               3            6                0.968589
                2             6               9            1                0.996232
                2             6              10            1                0.991368
                3             6               4            6                0.965222
                3             6              11            1                0.991072
                3             6              12            1                0.993622
                4             6              13            1                0.997738
                4             6              14            1                0.993646
               15             6              16            6                0.985051
               15             6              19            6                0.957840
               15             6              20            1                0.998085
               15             6              21            1                0.987580
               16             6              17            6                0.967788
               16             6              22            1                0.986971
               16             6              23            1                0.998527
               17             6              18            6                0.966302
               17             6              24            1                0.989347
               17             6              25            1                0.993593
               18             6              19            6                0.963729
               18             6              26            1                0.994702
               18             6              27            1                0.996352
               19             6              28            1                0.994509
               19             6              29            1                0.994369
               30             6              31            6                0.977178
               30             6              34            6                0.984149
               30             6              35            1                0.990844
               30             6              36            1                0.991235
               31             6              32            6                0.948873
               31             6              37            1                0.991776
               31             6              38            1                0.991398
               32             6              33            6                0.947485
               32             6              39            1                0.992014
               32             6              40            1                0.998716
               33             6              34            6                0.965525
               33             6              41            1                0.994432
               33             6              42            1                0.999271
               34             6              43            1                0.992239
               34             6              44            1                0.989123
               45             6              46            6                0.973209
               45             6              49            6                0.968364
               45             6              50            1                0.991855
               45             6              51            1                0.988406
               46             6              47            6                0.980439
               46             6              52            1                0.985223
               46             6              53            1                0.987869
               47             6              48            6                0.971040
               47             6              54            1                0.977509
               47             6              55            1                0.990672
               48             6              49            6                0.981439
               48             6              56            1                0.968802
               48             6              57            1                1.009184
               49             6              58            1                0.981212
               49             6              59            1                0.996736
               60             6              61            6                0.970033
               60             6              64            6                0.964228
               60             6              65            1                0.978770
               60             6              66            1                0.998497
               61             6              62            6                0.958707
               61             6              67            1                0.997033
               61             6              68            1                0.980090
               62             6              63            6                0.986013
               62             6              69            1                0.994263
               62             6              70            1                0.991861
               63             6              64            6                0.967536
               63             6              71            1                0.984879
               63             6              72            1                0.998619
               64             6              73            1                0.993755
               64             6              74            1                0.994666
               75             6              76            6                0.961386
               75             6              79            6                0.986063
               75             6              80            1                0.982202
               75             6              81            1                0.993421
               76             6              77            6                0.962939
               76             6              82            1                0.990850
               76             6              83            1                0.998673
               77             6              78            6                0.964173
               77             6              84            1                0.987887
               77             6              85            1                0.990940
               78             6              79            6                0.973895
               78             6              86            1                0.992376
               78             6              87            1                1.003128
               79             6              88            1                0.992687
               79             6              89            1                0.994982
# -----------------------------------------------------------
$ 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     6.0871     6.0000    -0.0871     3.9702     3.6445     0.3257
  1   0     6.1580     6.0000    -0.1580     4.0146     3.6868     0.3278
  2   0     6.1877     6.0000    -0.1877     4.0391     3.7165     0.3226
  3   0     6.1060     6.0000    -0.1060     3.9668     3.6527     0.3141
  4   0     6.2206     6.0000    -0.2206     4.0451     3.7217     0.3234
  5   0     0.9726     1.0000     0.0274     1.0120     0.9561     0.0559
  6   0     0.9298     1.0000     0.0702     1.0022     0.9486     0.0536
  7   0     0.9182     1.0000     0.0818     0.9861     0.9320     0.0541
  8   0     0.9324     1.0000     0.0676     0.9911     0.9357     0.0554
  9   0     0.9152     1.0000     0.0848     0.9881     0.9377     0.0504
 10   0     0.9117     1.0000     0.0883     0.9884     0.9356     0.0528
 11   0     0.9136     1.0000     0.0864     0.9829     0.9309     0.0520
 12   0     0.9376     1.0000     0.0624     0.9942     0.9420     0.0522
 13   0     0.9125     1.0000     0.0875     0.9815     0.9304     0.0511
 14   0     0.9075     1.0000     0.0925     0.9831     0.9334     0.0497
 15   0     6.1951     6.0000    -0.1951     4.0187     3.6915     0.3272
 16   0     6.1600     6.0000    -0.1600     4.0269     3.7073     0.3196
 17   0     6.1680     6.0000    -0.1680     3.9966     3.6755     0.3211
 18   0     6.1611     6.0000    -0.1611     3.9942     3.6718     0.3224
 19   0     6.1498     6.0000    -0.1498     3.9718     3.6548     0.3170
 20   0     0.9175     1.0000     0.0825     0.9847     0.9294     0.0553
 21   0     0.9026     1.0000     0.0974     0.9845     0.9308     0.0537
 22   0     0.9083     1.0000     0.0917     0.9856     0.9319     0.0537
 23   0     0.9080     1.0000     0.0920     0.9892     0.9406     0.0486
 24   0     0.9208     1.0000     0.0792     0.9921     0.9422     0.0499
 25   0     0.9189     1.0000     0.0811     0.9860     0.9347     0.0513
 26   0     0.9133     1.0000     0.0867     0.9878     0.9349     0.0529
 27   0     0.9455     1.0000     0.0545     1.0027     0.9460     0.0567
 28   0     0.9165     1.0000     0.0835     0.9821     0.9306     0.0515
 29   0     0.9178     1.0000     0.0822     0.9812     0.9262     0.0550
 30   0     6.1566     6.0000    -0.1566     4.0184     3.6966     0.3218
 31   0     6.1855     6.0000    -0.1855     3.9948     3.6642     0.3306
 32   0     6.1918     6.0000    -0.1918     3.9394     3.6097     0.3297
 33   0     6.2180     6.0000    -0.2180     3.9900     3.6635     0.3265
 34   0     6.1423     6.0000    -0.1423     4.0134     3.6982     0.3152
 35   0     0.9147     1.0000     0.0853     0.9861     0.9306     0.0555
 36   0     0.9028     1.0000     0.0972     0.9833     0.9320     0.0513
 37   0     0.9138     1.0000     0.0862     0.9861     0.9319     0.0542
 38   0     0.9058     1.0000     0.0942     0.9852     0.9340     0.0512
 39   0     0.9161     1.0000     0.0839     0.9824     0.9304     0.0520
 40   0     0.9249     1.0000     0.0751     0.9890     0.9358     0.0532
 41   0     0.9045     1.0000     0.0955     0.9812     0.9278     0.0534
 42   0     0.9076     1.0000     0.0924     0.9823     0.9293     0.0530
 43   0     0.9116     1.0000     0.0884     0.9896     0.9369     0.0527
 44   0     0.9003     1.0000     0.0997     0.9820     0.9309     0.0511
 45   0     6.2014     6.0000    -0.2014     4.0001     3.6726     0.3275
 46   0     6.1680     6.0000    -0.1680     4.0159     3.6900     0.3259
 47   0     6.1426     6.0000    -0.1426     4.0147     3.6923     0.3224
 48   0     6.1788     6.0000    -0.1788     4.0156     3.6868     0.3288
 49   0     6.1762     6.0000    -0.1762     4.0200     3.6971     0.3229
 50   0     0.9189     1.0000     0.0811     0.9839     0.9308     0.0531
 51   0     0.9102     1.0000     0.0898     0.9839     0.9305     0.0534
 52   0     0.9129     1.0000     0.0871     0.9860     0.9307     0.0553
 53   0     0.9047     1.0000     0.0953     0.9862     0.9362     0.0500
 54   0     0.9012     1.0000     0.0988     0.9879     0.9370     0.0509
 55   0     0.9240     1.0000     0.0760     0.9849     0.9308     0.0541
 56   0     0.9229     1.0000     0.0771     0.9841     0.9270     0.0571
 57   0     0.9071     1.0000     0.0929     0.9852     0.9357     0.0495
 58   0     0.8946     1.0000     0.1054     0.9834     0.9326     0.0508
 59   0     0.9268     1.0000     0.0732     0.9874     0.9329     0.0545
 60   0     6.2209     6.0000    -0.2209     4.0174     3.6857     0.3317
 61   0     6.1717     6.0000    -0.1717     3.9706     3.6465     0.3241
 62   0     6.1534     6.0000    -0.1534     4.0158     3.6931     0.3227
 63   0     6.1878     6.0000    -0.1878     4.0214     3.6979     0.3235
 64   0     6.1219     6.0000    -0.1219     3.9776     3.6625     0.3151
 65   0     0.8871     1.0000     0.1129     0.9805     0.9289     0.0516
 66   0     0.9254     1.0000     0.0746     0.9832     0.9283     0.0549
 67   0     0.9359     1.0000     0.0641     0.9923     0.9388     0.0535
 68   0     0.9143     1.0000     0.0857     0.9860     0.9331     0.0529
 69   0     0.9117     1.0000     0.0883     0.9876     0.9359     0.0517
 70   0     0.9081     1.0000     0.0919     0.9869     0.9356     0.0513
 71   0     0.9037     1.0000     0.0963     0.9829     0.9299     0.0530
 72   0     0.9214     1.0000     0.0786     0.9900     0.9376     0.0524
 73   0     0.9217     1.0000     0.0783     0.9870     0.9348     0.0522
 74   0     0.9169     1.0000     0.0831     0.9874     0.9372     0.0502
 75   0     6.1323     6.0000    -0.1323     4.0071     3.6858     0.3213
 76   0     6.2134     6.0000    -0.2134     3.9971     3.6689     0.3282
 77   0     6.1809     6.0000    -0.1809     3.9786     3.6602     0.3184
 78   0     6.1338     6.0000    -0.1338     3.9939     3.6809     0.3130
 79   0     6.1653     6.0000    -0.1653     4.0214     3.7055     0.3159
 80   0     0.8957     1.0000     0.1043     0.9818     0.9322     0.0496
 81   0     0.9160     1.0000     0.0840     0.9941     0.9440     0.0501
 82   0     0.8965     1.0000     0.1035     0.9781     0.9311     0.0470
 83   0     0.9436     1.0000     0.0564     0.9868     0.9291     0.0577
 84   0     0.9201     1.0000     0.0799     0.9824     0.9304     0.0520
 85   0     0.9070     1.0000     0.0930     0.9805     0.9305     0.0500
 86   0     0.9210     1.0000     0.0790     0.9877     0.9367     0.0510
 87   0     0.9311     1.0000     0.0689     0.9864     0.9332     0.0532
 88   0     0.9229     1.0000     0.0771     0.9854     0.9329     0.0525
 89   0     0.9177     1.0000     0.0823     0.9959     0.9467     0.0492
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.892911
                0             6               4            6                0.909543
                0             6               5            1                0.948199
                0             6               6            1                0.951205
                1             6               2            6                0.916294
                1             6               7            1                0.956251
                1             6               8            1                0.951513
                2             6               3            6                0.906658
                2             6               9            1                0.956316
                2             6              10            1                0.949445
                3             6               4            6                0.903527
                3             6              11            1                0.949593
                3             6              12            1                0.953446
                4             6              13            1                0.957220
                4             6              14            1                0.954526
               15             6              16            6                0.920503
               15             6              19            6                0.895631
               15             6              20            1                0.953526
               15             6              21            1                0.944454
               16             6              17            6                0.905911
               16             6              22            1                0.944098
               16             6              23            1                0.960133
               17             6              18            6                0.899624
               17             6              24            1                0.950133
               17             6              25            1                0.952841
               18             6              19            6                0.905510
               18             6              26            1                0.952380
               18             6              27            1                0.951805
               19             6              28            1                0.953883
               19             6              29            1                0.950277
               30             6              31            6                0.912264
               30             6              34            6                0.923198
               30             6              35            1                0.946147
               30             6              36            1                0.950279
               31             6              32            6                0.882716
               31             6              37            1                0.948372
               31             6              38            1                0.950599
               32             6              33            6                0.882957
               32             6              39            1                0.950501
               32             6              40            1                0.957144
               33             6              34            6                0.904758
               33             6              41            1                0.951532
               33             6              42            1                0.956693
               34             6              43            1                0.950310
               34             6              44            1                0.948171
               45             6              46            6                0.909066
               45             6              49            6                0.903261
               45             6              50            1                0.949796
               45             6              51            1                0.945887
               46             6              47            6                0.915763
               46             6              52            1                0.941081
               46             6              53            1                0.948357
               47             6              48            6                0.908812
               47             6              54            1                0.937232
               47             6              55            1                0.947812
               48             6              49            6                0.919333
               48             6              56            1                0.923382
               48             6              57            1                0.968654
               49             6              58            1                0.940951
               49             6              59            1                0.953094
               60             6              61            6                0.906192
               60             6              64            6                0.900898
               60             6              65            1                0.937206
               60             6              66            1                0.954195
               61             6              62            6                0.895257
               61             6              67            1                0.954416
               61             6              68            1                0.938749
               62             6              63            6                0.920278
               62             6              69            1                0.953024
               62             6              70            1                0.951029
               63             6              64            6                0.906096
               63             6              71            1                0.942480
               63             6              72            1                0.956905
               64             6              73            1                0.952453
               64             6              74            1                0.955328
               75             6              76            6                0.895404
               75             6              79            6                0.922063
               75             6              80            1                0.942913
               75             6              81            1                0.953750
               76             6              77            6                0.900047
               76             6              82            1                0.953295
               76             6              83            1                0.953869
               77             6              78            6                0.905295
               77             6              84            1                0.946768
               77             6              85            1                0.950573
               78             6              79            6                0.911485
               78             6              86            1                0.952114
               78             6              87            1                0.961339
               79             6              88            1                0.951359
               79             6              89            1                0.956699
# -----------------------------------------------------------
$ 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     6.1508     6.0000    -0.1508     3.9632     3.6420     0.3212
  1   0     6.2175     6.0000    -0.2175     4.0053     3.6821     0.3232
  2   0     6.2313     6.0000    -0.2313     4.0001     3.6816     0.3185
  3   0     6.1656     6.0000    -0.1656     3.9537     3.6437     0.3100
  4   0     6.2611     6.0000    -0.2611     4.0048     3.6855     0.3193
  5   0     0.9484     1.0000     0.0516     1.0152     0.9607     0.0545
  6   0     0.8922     1.0000     0.1078     0.9865     0.9345     0.0520
  7   0     0.8939     1.0000     0.1061     0.9802     0.9274     0.0528
  8   0     0.9010     1.0000     0.0990     0.9846     0.9307     0.0539
  9   0     0.8907     1.0000     0.1093     0.9796     0.9303     0.0493
 10   0     0.8864     1.0000     0.1136     0.9820     0.9304     0.0516
 11   0     0.8906     1.0000     0.1094     0.9754     0.9244     0.0510
 12   0     0.9106     1.0000     0.0894     0.9941     0.9432     0.0509
 13   0     0.8872     1.0000     0.1128     0.9740     0.9241     0.0499
 14   0     0.8831     1.0000     0.1169     0.9771     0.9286     0.0485
 15   0     6.2317     6.0000    -0.2317     3.9964     3.6736     0.3228
 16   0     6.2138     6.0000    -0.2138     4.0158     3.7003     0.3155
 17   0     6.2236     6.0000    -0.2236     3.9875     3.6706     0.3169
 18   0     6.2123     6.0000    -0.2123     3.9735     3.6554     0.3181
 19   0     6.2073     6.0000    -0.2073     3.9623     3.6497     0.3126
 20   0     0.8947     1.0000     0.1053     0.9772     0.9229     0.0543
 21   0     0.8811     1.0000     0.1189     0.9773     0.9246     0.0527
 22   0     0.8844     1.0000     0.1156     0.9772     0.9245     0.0527
 23   0     0.8835     1.0000     0.1165     0.9811     0.9335     0.0476
 24   0     0.8955     1.0000     0.1045     0.9871     0.9383     0.0488
 25   0     0.8910     1.0000     0.1090     0.9773     0.9273     0.0500
 26   0     0.8890     1.0000     0.1110     0.9800     0.9283     0.0517
 27   0     0.9129     1.0000     0.0871     0.9959     0.9408     0.0551
 28   0     0.8905     1.0000     0.1095     0.9738     0.9234     0.0504
 29   0     0.8905     1.0000     0.1095     0.9728     0.9189     0.0539
 30   0     6.2043     6.0000    -0.2043     4.0082     3.6907     0.3175
 31   0     6.2337     6.0000    -0.2337     3.9805     3.6542     0.3263
 32   0     6.2520     6.0000    -0.2520     3.9338     3.6084     0.3254
 33   0     6.2558     6.0000    -0.2558     3.9708     3.6488     0.3220
 34   0     6.1998     6.0000    -0.1998     4.0159     3.7047     0.3112
 35   0     0.8908     1.0000     0.1092     0.9780     0.9235     0.0545
 36   0     0.8819     1.0000     0.1181     0.9759     0.9255     0.0504
 37   0     0.8888     1.0000     0.1112     0.9775     0.9244     0.0531
 38   0     0.8812     1.0000     0.1188     0.9784     0.9283     0.0501
 39   0     0.8877     1.0000     0.1123     0.9719     0.9211     0.0508
 40   0     0.8946     1.0000     0.1054     0.9803     0.9285     0.0518
 41   0     0.8805     1.0000     0.1195     0.9721     0.9197     0.0524
 42   0     0.8816     1.0000     0.1184     0.9740     0.9221     0.0519
 43   0     0.8872     1.0000     0.1128     0.9792     0.9275     0.0517
 44   0     0.8781     1.0000     0.1219     0.9742     0.9240     0.0502
 45   0     6.2436     6.0000    -0.2436     3.9915     3.6683     0.3232
 46   0     6.2061     6.0000    -0.2061     3.9955     3.6740     0.3215
 47   0     6.1941     6.0000    -0.1941     4.0021     3.6841     0.3180
 48   0     6.2377     6.0000    -0.2377     4.0025     3.6787     0.3238
 49   0     6.2207     6.0000    -0.2207     3.9943     3.6757     0.3186
 50   0     0.8957     1.0000     0.1043     0.9763     0.9242     0.0521
 51   0     0.8875     1.0000     0.1125     0.9756     0.9232     0.0524
 52   0     0.8932     1.0000     0.1068     0.9782     0.9238     0.0544
 53   0     0.8843     1.0000     0.1157     0.9791     0.9300     0.0491
 54   0     0.8798     1.0000     0.1202     0.9806     0.9307     0.0499
 55   0     0.8966     1.0000     0.1034     0.9817     0.9289     0.0528
 56   0     0.9011     1.0000     0.0989     0.9772     0.9210     0.0562
 57   0     0.8739     1.0000     0.1261     0.9746     0.9265     0.0481
 58   0     0.8751     1.0000     0.1249     0.9763     0.9265     0.0498
 59   0     0.8988     1.0000     0.1012     0.9788     0.9256     0.0532
 60   0     6.2605     6.0000    -0.2605     3.9886     3.6616     0.3270
 61   0     6.2308     6.0000    -0.2308     3.9599     3.6402     0.3197
 62   0     6.2012     6.0000    -0.2012     3.9898     3.6711     0.3187
 63   0     6.2335     6.0000    -0.2335     3.9970     3.6777     0.3193
 64   0     6.1823     6.0000    -0.1823     3.9625     3.6513     0.3112
 65   0     0.8658     1.0000     0.1342     0.9749     0.9244     0.0505
 66   0     0.8993     1.0000     0.1007     0.9756     0.9219     0.0537
 67   0     0.9063     1.0000     0.0937     0.9852     0.9330     0.0522
 68   0     0.8878     1.0000     0.1122     0.9806     0.9290     0.0516
 69   0     0.8884     1.0000     0.1116     0.9810     0.9303     0.0507
 70   0     0.8843     1.0000     0.1157     0.9804     0.9302     0.0502
 71   0     0.8814     1.0000     0.1186     0.9765     0.9244     0.0521
 72   0     0.8947     1.0000     0.1053     0.9815     0.9303     0.0512
 73   0     0.8948     1.0000     0.1052     0.9785     0.9274     0.0511
 74   0     0.8918     1.0000     0.1082     0.9813     0.9321     0.0492
 75   0     6.1870     6.0000    -0.1870     3.9943     3.6769     0.3174
 76   0     6.2640     6.0000    -0.2640     3.9792     3.6553     0.3239
 77   0     6.2326     6.0000    -0.2326     3.9633     3.6493     0.3140
 78   0     6.1807     6.0000    -0.1807     3.9622     3.6534     0.3088
 79   0     6.2133     6.0000    -0.2133     3.9990     3.6871     0.3119
 80   0     0.8743     1.0000     0.1257     0.9804     0.9318     0.0486
 81   0     0.8927     1.0000     0.1073     0.9850     0.9359     0.0491
 82   0     0.8716     1.0000     0.1284     0.9719     0.9260     0.0459
 83   0     0.9140     1.0000     0.0860     0.9811     0.9249     0.0562
 84   0     0.8954     1.0000     0.1046     0.9760     0.9252     0.0508
 85   0     0.8799     1.0000     0.1201     0.9745     0.9258     0.0487
 86   0     0.8958     1.0000     0.1042     0.9805     0.9306     0.0499
 87   0     0.9061     1.0000     0.0939     0.9839     0.9318     0.0521
 88   0     0.8982     1.0000     0.1018     0.9780     0.9265     0.0515
 89   0     0.8928     1.0000     0.1072     0.9878     0.9397     0.0481
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.912422
                0             6               4            6                0.904720
                0             6               5            1                0.935106
                0             6               6            1                0.936001
                1             6               2            6                0.918018
                1             6               7            1                0.939707
                1             6               8            1                0.939123
                2             6               3            6                0.910893
                2             6               9            1                0.942901
                2             6              10            1                0.934769
                3             6               4            6                0.913141
                3             6              11            1                0.933969
                3             6              12            1                0.944700
                4             6              13            1                0.944532
                4             6              14            1                0.941873
               15             6              16            6                0.929638
               15             6              19            6                0.905024
               15             6              20            1                0.938017
               15             6              21            1                0.930314
               16             6              17            6                0.916651
               16             6              22            1                0.929576
               16             6              23            1                0.949179
               17             6              18            6                0.903872
               17             6              24            1                0.938724
               17             6              25            1                0.941916
               18             6              19            6                0.921448
               18             6              26            1                0.936444
               18             6              27            1                0.936453
               19             6              28            1                0.940118
               19             6              29            1                0.933785
               30             6              31            6                0.921292
               30             6              34            6                0.937916
               30             6              35            1                0.931955
               30             6              36            1                0.936621
               31             6              32            6                0.890405
               31             6              37            1                0.933373
               31             6              38            1                0.940514
               32             6              33            6                0.888489
               32             6              39            1                0.938758
               32             6              40            1                0.946043
               33             6              34            6                0.920822
               33             6              41            1                0.935518
               33             6              42            1                0.942455
               34             6              43            1                0.934071
               34             6              44            1                0.935860
               45             6              46            6                0.921845
               45             6              49            6                0.911347
               45             6              50            1                0.936775
               45             6              51            1                0.931973
               46             6              47            6                0.921733
               46             6              52            1                0.922931
               46             6              53            1                0.936776
               47             6              48            6                0.917609
               47             6              54            1                0.925718
               47             6              55            1                0.934348
               48             6              49            6                0.925361
               48             6              56            1                0.906721
               48             6              57            1                0.954974
               49             6              58            1                0.928383
               49             6              59            1                0.939338
               60             6              61            6                0.907066
               60             6              64            6                0.907383
               60             6              65            1                0.926147
               60             6              66            1                0.940673
               61             6              62            6                0.904545
               61             6              67            1                0.944530
               61             6              68            1                0.927477
               62             6              63            6                0.921289
               62             6              69            1                0.940055
               62             6              70            1                0.939462
               63             6              64            6                0.914094
               63             6              71            1                0.930145
               63             6              72            1                0.945099
               64             6              73            1                0.939112
               64             6              74            1                0.944451
               75             6              76            6                0.902200
               75             6              79            6                0.928626
               75             6              80            1                0.932441
               75             6              81            1                0.940837
               76             6              77            6                0.905120
               76             6              82            1                0.943940
               76             6              83            1                0.939060
               77             6              78            6                0.912525
               77             6              84            1                0.932683
               77             6              85            1                0.941840
               78             6              79            6                0.918307
               78             6              86            1                0.939295
               78             6              87            1                0.943948
               79             6              88            1                0.937980
               79             6              89            1                0.944685
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2101143520
        Correlation Energy:       -5.0688068662
        Total MP2 Energy:      -1176.2789212182
# -----------------------------------------------------------
$ 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) :        0.3277582585
        Electronic Contribution:
                  0    
      0      -0.072341
      1      -0.336136
      2      -0.042942
        Nuclear Contribution:
                  0    
      0      -0.016067
      1       0.329369
      2       0.136568
        Total Dipole moment:
                  0    
      0      -0.088407
      1      -0.006767
      2       0.093626
# -----------------------------------------------------------
$ 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) :        0.3264157444
        Electronic Contribution:
                  0    
      0      -0.072372
      1      -0.336631
      2      -0.043738
        Nuclear Contribution:
                  0    
      0      -0.016067
      1       0.329369
      2       0.136568
        Total Dipole moment:
                  0    
      0      -0.088439
      1      -0.007262
      2       0.092829
# -----------------------------------------------------------
$ 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) :        0.2886851172
        Electronic Contribution:
                  0    
      0      -0.067098
      1      -0.347576
      2      -0.061392
        Nuclear Contribution:
                  0    
      0      -0.016067
      1       0.329369
      2       0.136568
        Total Dipole moment:
                  0    
      0      -0.083165
      1      -0.018207
      2       0.075176
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     22.640000000000   15.530000000000   15.250000000000
               1 C     21.280000000000   14.950000000000   15.490000000000
               2 C     20.390000000000   15.900000000000   16.390000000000
               3 C     21.240000000000   17.140000000000   16.650000000000
               4 C     22.620000000000   16.930000000000   16.040000000000
               5 H     22.840000000000   15.660000000000   14.180000000000
               6 H     23.460000000000   14.920000000000   15.700000000000
               7 H     21.260000000000   13.960000000000   15.980000000000
               8 H     20.720000000000   14.780000000000   14.550000000000
               9 H     20.190000000000   15.360000000000   17.290000000000
              10 H     19.430000000000   16.200000000000   15.940000000000
              11 H     21.350000000000   17.270000000000   17.740000000000
              12 H     20.830000000000   18.010000000000   16.210000000000
              13 H     23.350000000000   16.870000000000   16.820000000000
              14 H     22.870000000000   17.750000000000   15.430000000000
              15 C     18.120000000000   20.480000000000   12.380000000000
              16 C     19.620000000000   20.020000000000   12.550000000000
              17 C     19.670000000000   18.940000000000   13.640000000000
              18 C     18.160000000000   18.650000000000   14.000000000000
              19 C     17.320000000000   19.720000000000   13.420000000000
              20 H     17.630000000000   20.120000000000   11.420000000000
              21 H     17.830000000000   21.560000000000   12.540000000000
              22 H     20.250000000000   20.930000000000   12.760000000000
              23 H     19.990000000000   19.630000000000   11.660000000000
              24 H     20.160000000000   19.200000000000   14.540000000000
              25 H     20.090000000000   18.060000000000   13.200000000000
              26 H     18.170000000000   18.580000000000   15.100000000000
              27 H     17.900000000000   17.640000000000   13.590000000000
              28 H     16.940000000000   20.360000000000   14.200000000000
              29 H     16.360000000000   19.350000000000   12.940000000000
              30 C     17.920000000000   12.900000000000   11.260000000000
              31 C     19.100000000000   13.840000000000   11.700000000000
              32 C     18.410000000000   15.210000000000   12.150000000000
              33 C     16.870000000000   15.030000000000   11.960000000000
              34 C     16.590000000000   13.560000000000   11.600000000000
              35 H     18.070000000000   11.910000000000   11.830000000000
              36 H     18.050000000000   12.720000000000   10.190000000000
              37 H     19.820000000000   14.090000000000   10.870000000000
              38 H     19.680000000000   13.450000000000   12.520000000000
              39 H     18.820000000000   16.050000000000   11.610000000000
              40 H     18.640000000000   15.430000000000   13.170000000000
              41 H     16.560000000000   15.870000000000   11.300000000000
              42 H     16.490000000000   15.430000000000   12.900000000000
              43 H     15.880000000000   13.530000000000   10.750000000000
              44 H     16.060000000000   13.030000000000   12.400000000000
              45 C     24.130000000000   16.600000000000   10.270000000000
              46 C     24.270000000000   15.070000000000   10.450000000000
              47 C     24.240000000000   14.820000000000   12.010000000000
              48 C     24.870000000000   16.060000000000   12.590000000000
              49 C     24.470000000000   17.210000000000   11.680000000000
              50 H     23.090000000000   16.860000000000   10.000000000000
              51 H     24.810000000000   16.960000000000    9.450000000000
              52 H     25.300000000000   14.850000000000    9.990000000000
              53 H     23.480000000000   14.560000000000    9.930000000000
              54 H     24.820000000000   13.940000000000   12.320000000000
              55 H     23.230000000000   14.910000000000   12.440000000000
              56 H     26.030000000000   15.880000000000   12.680000000000
              57 H     24.530000000000   16.270000000000   13.580000000000
              58 H     25.150000000000   18.070000000000   11.620000000000
              59 H     23.500000000000   17.580000000000   12.060000000000
              60 C     21.570000000000   10.090000000000   17.660000000000
              61 C     22.130000000000   10.150000000000   16.220000000000
              62 C     21.430000000000    9.050000000000   15.390000000000
              63 C     20.310000000000    8.390000000000   16.310000000000
              64 C     20.330000000000    9.140000000000   17.620000000000
              65 H     21.380000000000   11.090000000000   18.120000000000
              66 H     22.360000000000    9.510000000000   18.200000000000
              67 H     23.170000000000    9.830000000000   16.230000000000
              68 H     22.020000000000   11.140000000000   15.770000000000
              69 H     22.220000000000    8.340000000000   15.130000000000
              70 H     20.990000000000    9.520000000000   14.510000000000
              71 H     20.380000000000    7.280000000000   16.500000000000
              72 H     19.330000000000    8.610000000000   15.890000000000
              73 H     20.450000000000    8.430000000000   18.440000000000
              74 H     19.400000000000    9.650000000000   17.700000000000
              75 C     24.290000000000   12.040000000000   19.030000000000
              76 C     23.990000000000   13.040000000000   17.810000000000
              77 C     24.920000000000   12.710000000000   16.650000000000
              78 C     25.850000000000   11.680000000000   17.140000000000
              79 C     25.700000000000   11.510000000000   18.640000000000
              80 H     23.600000000000   11.230000000000   19.150000000000
              81 H     24.380000000000   12.660000000000   19.900000000000
              82 H     23.920000000000   14.040000000000   18.040000000000
              83 H     23.010000000000   12.860000000000   17.370000000000
              84 H     25.480000000000   13.620000000000   16.430000000000
              85 H     24.400000000000   12.320000000000   15.790000000000
              86 H     26.870000000000   11.980000000000   16.940000000000
              87 H     25.540000000000   10.750000000000   16.650000000000
              88 H     26.440000000000   12.170000000000   19.110000000000
              89 H     25.910000000000   10.500000000000   18.800000000000
