-------------------------------------------------------------
----------------------- !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:    -1171.2197355655
# -----------------------------------------------------------
$ 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     6.1812     6.0000    -0.1812     3.8939     3.8939    -0.0000
  1   0     6.1649     6.0000    -0.1649     3.8841     3.8841     0.0000
  2   0     6.1897     6.0000    -0.1897     3.9236     3.9236    -0.0000
  3   0     6.1604     6.0000    -0.1604     3.8501     3.8501    -0.0000
  4   0     6.1568     6.0000    -0.1568     3.8810     3.8810    -0.0000
  5   0     0.9084     1.0000     0.0916     0.9746     0.9746     0.0000
  6   0     0.9314     1.0000     0.0686     0.9781     0.9781     0.0000
  7   0     0.9174     1.0000     0.0826     0.9761     0.9761    -0.0000
  8   0     0.9083     1.0000     0.0917     0.9722     0.9722    -0.0000
  9   0     0.9015     1.0000     0.0985     0.9699     0.9699    -0.0000
 10   0     0.9159     1.0000     0.0841     0.9766     0.9766     0.0000
 11   0     0.9145     1.0000     0.0855     0.9702     0.9702    -0.0000
 12   0     0.9190     1.0000     0.0810     0.9764     0.9764    -0.0000
 13   0     0.9075     1.0000     0.0925     0.9696     0.9696    -0.0000
 14   0     0.9145     1.0000     0.0855     0.9724     0.9724    -0.0000
 15   0     6.1691     6.0000    -0.1691     3.8816     3.8816     0.0000
 16   0     6.1371     6.0000    -0.1371     3.8962     3.8962    -0.0000
 17   0     6.1406     6.0000    -0.1406     3.8841     3.8841     0.0000
 18   0     6.1574     6.0000    -0.1574     3.9315     3.9315    -0.0000
 19   0     6.1206     6.0000    -0.1206     3.9067     3.9067    -0.0000
 20   0     0.9176     1.0000     0.0824     0.9719     0.9719    -0.0000
 21   0     0.9360     1.0000     0.0640     0.9679     0.9679     0.0000
 22   0     0.9852     1.0000     0.0148     1.0110     1.0110    -0.0000
 23   0     0.9129     1.0000     0.0871     0.9773     0.9773    -0.0000
 24   0     0.9182     1.0000     0.0818     0.9786     0.9786     0.0000
 25   0     0.9217     1.0000     0.0783     0.9774     0.9774     0.0000
 26   0     0.9250     1.0000     0.0750     0.9778     0.9778     0.0000
 27   0     0.9141     1.0000     0.0859     0.9778     0.9778    -0.0000
 28   0     0.9419     1.0000     0.0581     0.9960     0.9960    -0.0000
 29   0     0.9180     1.0000     0.0820     0.9810     0.9810     0.0000
 30   0     6.1820     6.0000    -0.1820     3.8727     3.8727    -0.0000
 31   0     6.1543     6.0000    -0.1543     3.8832     3.8832     0.0000
 32   0     6.1625     6.0000    -0.1625     3.9029     3.9029     0.0000
 33   0     6.1548     6.0000    -0.1548     3.9070     3.9070    -0.0000
 34   0     6.1335     6.0000    -0.1335     3.8961     3.8961    -0.0000
 35   0     0.9295     1.0000     0.0705     0.9724     0.9724     0.0000
 36   0     0.9141     1.0000     0.0859     0.9739     0.9739    -0.0000
 37   0     0.9125     1.0000     0.0875     0.9789     0.9789     0.0000
 38   0     0.9370     1.0000     0.0630     1.0029     1.0029     0.0000
 39   0     0.9128     1.0000     0.0872     0.9744     0.9744     0.0000
 40   0     0.9318     1.0000     0.0682     0.9871     0.9871     0.0000
 41   0     0.9130     1.0000     0.0870     0.9728     0.9728     0.0000
 42   0     0.9140     1.0000     0.0860     0.9775     0.9775     0.0000
 43   0     0.9213     1.0000     0.0787     0.9822     0.9822    -0.0000
 44   0     0.9324     1.0000     0.0676     0.9747     0.9747    -0.0000
 45   0     6.1438     6.0000    -0.1438     3.8923     3.8923     0.0000
 46   0     6.1698     6.0000    -0.1698     3.8736     3.8736     0.0000
 47   0     6.2113     6.0000    -0.2113     3.9082     3.9082    -0.0000
 48   0     6.1375     6.0000    -0.1375     3.8840     3.8840    -0.0000
 49   0     6.1645     6.0000    -0.1645     3.9145     3.9145     0.0000
 50   0     0.9329     1.0000     0.0671     0.9764     0.9764     0.0000
 51   0     0.9007     1.0000     0.0993     0.9697     0.9697     0.0000
 52   0     0.9340     1.0000     0.0660     0.9866     0.9866     0.0000
 53   0     0.9070     1.0000     0.0930     0.9737     0.9737     0.0000
 54   0     0.9098     1.0000     0.0902     0.9745     0.9745     0.0000
 55   0     0.9078     1.0000     0.0922     0.9772     0.9772    -0.0000
 56   0     0.9233     1.0000     0.0767     0.9803     0.9803    -0.0000
 57   0     0.9175     1.0000     0.0825     0.9748     0.9748    -0.0000
 58   0     0.9253     1.0000     0.0747     0.9768     0.9768     0.0000
 59   0     0.9143     1.0000     0.0857     0.9759     0.9759    -0.0000
 60   0     6.1969     6.0000    -0.1969     3.8403     3.8403    -0.0000
 61   0     6.1682     6.0000    -0.1682     3.8967     3.8967    -0.0000
 62   0     6.1660     6.0000    -0.1660     3.8999     3.8999    -0.0000
 63   0     6.1615     6.0000    -0.1615     3.9028     3.9028     0.0000
 64   0     6.1696     6.0000    -0.1696     3.9198     3.9198     0.0000
 65   0     0.9154     1.0000     0.0846     0.9765     0.9765    -0.0000
 66   0     0.9008     1.0000     0.0992     0.9683     0.9683    -0.0000
 67   0     0.9185     1.0000     0.0815     0.9780     0.9780    -0.0000
 68   0     0.9083     1.0000     0.0917     0.9771     0.9771    -0.0000
 69   0     0.9215     1.0000     0.0785     0.9721     0.9721     0.0000
 70   0     0.9084     1.0000     0.0916     0.9744     0.9744    -0.0000
 71   0     0.9221     1.0000     0.0779     0.9754     0.9754     0.0000
 72   0     0.9068     1.0000     0.0932     0.9758     0.9758     0.0000
 73   0     0.9209     1.0000     0.0791     0.9761     0.9761     0.0000
 74   0     0.9026     1.0000     0.0974     0.9799     0.9799     0.0000
 75   0     6.1315     6.0000    -0.1315     3.8782     3.8782    -0.0000
 76   0     6.2092     6.0000    -0.2092     3.8772     3.8772    -0.0000
 77   0     6.1522     6.0000    -0.1522     3.8779     3.8779     0.0000
 78   0     6.1426     6.0000    -0.1426     3.8686     3.8686     0.0000
 79   0     6.1837     6.0000    -0.1837     3.9112     3.9112     0.0000
 80   0     0.9090     1.0000     0.0910     0.9729     0.9729    -0.0000
 81   0     0.9052     1.0000     0.0948     0.9720     0.9720    -0.0000
 82   0     0.9157     1.0000     0.0843     0.9744     0.9744     0.0000
 83   0     0.9244     1.0000     0.0756     0.9817     0.9817     0.0000
 84   0     0.9120     1.0000     0.0880     0.9791     0.9791     0.0000
 85   0     0.9442     1.0000     0.0558     0.9975     0.9975     0.0000
 86   0     0.9090     1.0000     0.0910     0.9718     0.9718     0.0000
 87   0     0.9262     1.0000     0.0738     0.9728     0.9728     0.0000
 88   0     0.9072     1.0000     0.0928     0.9793     0.9793     0.0000
 89   0     0.9286     1.0000     0.0714     0.9804     0.9804     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                0.964950
                0             6               4            6                0.975512
                0             6               5            1                0.996049
                0             6               6            1                1.000673
                1             6               2            6                0.980758
                1             6               7            1                0.992082
                1             6               8            1                0.992831
                2             6               3            6                0.955278
                2             6               9            1                0.990772
                2             6              10            1                0.995265
                3             6               4            6                0.949912
                3             6              11            1                1.004433
                3             6              12            1                0.991230
                4             6              13            1                0.994237
                4             6              14            1                0.992981
               15             6              16            6                0.972143
               15             6              19            6                0.952888
               15             6              20            1                0.996610
               15             6              21            1                0.992799
               16             6              17            6                0.966395
               16             6              22            1                0.995656
               16             6              23            1                0.985782
               17             6              18            6                0.970709
               17             6              24            1                0.997370
               17             6              25            1                0.989893
               18             6              19            6                0.993424
               18             6              26            1                0.998314
               18             6              27            1                0.990245
               19             6              28            1                1.001889
               19             6              29            1                0.992029
               30             6              31            6                0.950644
               30             6              34            6                0.973855
               30             6              35            1                1.004527
               30             6              36            1                0.985737
               31             6              32            6                0.971619
               31             6              37            1                0.996174
               31             6              38            1                1.009499
               32             6              33            6                0.981587
               32             6              39            1                0.995824
               32             6              40            1                0.985810
               33             6              34            6                0.974126
               33             6              41            1                0.988417
               33             6              42            1                0.996931
               34             6              43            1                0.996374
               34             6              44            1                0.995455
               45             6              46            6                0.962128
               45             6              49            6                0.982130
               45             6              50            1                0.997557
               45             6              51            1                0.985304
               46             6              47            6                0.972326
               46             6              52            1                0.992929
               46             6              53            1                0.986276
               47             6              48            6                0.969587
               47             6              54            1                0.992591
               47             6              55            1                0.988506
               48             6              49            6                0.973590
               48             6              56            1                0.999594
               48             6              57            1                0.988733
               49             6              58            1                0.994290
               49             6              59            1                0.986627
               60             6              61            6                0.962996
               60             6              64            6                0.968093
               60             6              65            1                0.980306
               60             6              66            1                0.981567
               61             6              62            6                0.976861
               61             6              67            1                0.996367
               61             6              68            1                0.982833
               62             6              63            6                0.970757
               62             6              69            1                0.998830
               62             6              70            1                0.987208
               63             6              64            6                0.984581
               63             6              71            1                0.996609
               63             6              72            1                0.987640
               64             6              73            1                0.994035
               64             6              74            1                0.985581
               75             6              76            6                0.959796
               75             6              79            6                0.973098
               75             6              80            1                0.991634
               75             6              81            1                0.983997
               76             6              77            6                0.962175
               76             6              82            1                0.991837
               76             6              83            1                1.000769
               77             6              78            6                0.970686
               77             6              84            1                0.981126
               77             6              85            1                0.998490
               78             6              79            6                0.956560
               78             6              86            1                0.986142
               78             6              87            1                1.002898
               79             6              88            1                0.992428
               79             6              89            1                1.001636
# -----------------------------------------------------------
$ 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     6.1888     6.0000    -0.1888     4.0041     3.6787     0.3254
  1   0     6.1729     6.0000    -0.1729     3.9962     3.6683     0.3279
  2   0     6.1974     6.0000    -0.1974     4.0359     3.7108     0.3251
  3   0     6.1689     6.0000    -0.1689     3.9651     3.6438     0.3213
  4   0     6.1655     6.0000    -0.1655     3.9932     3.6706     0.3226
  5   0     0.9045     1.0000     0.0955     0.9835     0.9325     0.0510
  6   0     0.9279     1.0000     0.0721     0.9886     0.9343     0.0543
  7   0     0.9135     1.0000     0.0865     0.9855     0.9326     0.0529
  8   0     0.9045     1.0000     0.0955     0.9815     0.9293     0.0522
  9   0     0.8976     1.0000     0.1024     0.9790     0.9262     0.0528
 10   0     0.9120     1.0000     0.0880     0.9862     0.9350     0.0512
 11   0     0.9102     1.0000     0.0898     0.9794     0.9291     0.0503
 12   0     0.9145     1.0000     0.0855     0.9858     0.9343     0.0515
 13   0     0.9035     1.0000     0.0965     0.9785     0.9269     0.0516
 14   0     0.9105     1.0000     0.0895     0.9818     0.9303     0.0515
 15   0     6.1775     6.0000    -0.1775     3.9935     3.6650     0.3285
 16   0     6.1442     6.0000    -0.1442     4.0043     3.6810     0.3233
 17   0     6.1488     6.0000    -0.1488     3.9922     3.6720     0.3202
 18   0     6.1647     6.0000    -0.1647     4.0382     3.7212     0.3170
 19   0     6.1285     6.0000    -0.1285     4.0129     3.6900     0.3229
 20   0     0.9134     1.0000     0.0866     0.9813     0.9278     0.0535
 21   0     0.9323     1.0000     0.0677     0.9786     0.9230     0.0556
 22   0     0.9809     1.0000     0.0191     1.0225     0.9648     0.0577
 23   0     0.9086     1.0000     0.0914     0.9864     0.9365     0.0499
 24   0     0.9143     1.0000     0.0857     0.9879     0.9350     0.0529
 25   0     0.9178     1.0000     0.0822     0.9870     0.9373     0.0497
 26   0     0.9211     1.0000     0.0789     0.9875     0.9360     0.0515
 27   0     0.9102     1.0000     0.0898     0.9872     0.9353     0.0519
 28   0     0.9385     1.0000     0.0615     1.0063     0.9509     0.0554
 29   0     0.9140     1.0000     0.0860     0.9903     0.9379     0.0524
 30   0     6.1910     6.0000    -0.1910     3.9885     3.6643     0.3242
 31   0     6.1609     6.0000    -0.1609     3.9905     3.6721     0.3184
 32   0     6.1698     6.0000    -0.1698     4.0132     3.6848     0.3284
 33   0     6.1632     6.0000    -0.1632     4.0180     3.6906     0.3274
 34   0     6.1411     6.0000    -0.1411     4.0040     3.6877     0.3163
 35   0     0.9255     1.0000     0.0745     0.9822     0.9299     0.0523
 36   0     0.9098     1.0000     0.0902     0.9827     0.9314     0.0513
 37   0     0.9084     1.0000     0.0916     0.9881     0.9367     0.0514
 38   0     0.9338     1.0000     0.0662     1.0132     0.9612     0.0520
 39   0     0.9087     1.0000     0.0913     0.9835     0.9324     0.0511
 40   0     0.9289     1.0000     0.0711     0.9990     0.9448     0.0542
 41   0     0.9090     1.0000     0.0910     0.9820     0.9309     0.0511
 42   0     0.9101     1.0000     0.0899     0.9867     0.9346     0.0521
 43   0     0.9172     1.0000     0.0828     0.9915     0.9417     0.0498
 44   0     0.9288     1.0000     0.0712     0.9851     0.9294     0.0557
 45   0     6.1518     6.0000    -0.1518     4.0014     3.6800     0.3214
 46   0     6.1773     6.0000    -0.1773     3.9853     3.6559     0.3294
 47   0     6.2189     6.0000    -0.2189     4.0213     3.6929     0.3284
 48   0     6.1454     6.0000    -0.1454     3.9931     3.6725     0.3206
 49   0     6.1720     6.0000    -0.1720     4.0218     3.7047     0.3171
 50   0     0.9290     1.0000     0.0710     0.9866     0.9315     0.0551
 51   0     0.8967     1.0000     0.1033     0.9784     0.9290     0.0494
 52   0     0.9304     1.0000     0.0696     0.9971     0.9420     0.0551
 53   0     0.9031     1.0000     0.0969     0.9828     0.9309     0.0519
 54   0     0.9059     1.0000     0.0941     0.9836     0.9327     0.0509
 55   0     0.9040     1.0000     0.0960     0.9863     0.9337     0.0526
 56   0     0.9194     1.0000     0.0806     0.9898     0.9393     0.0505
 57   0     0.9137     1.0000     0.0863     0.9844     0.9323     0.0521
 58   0     0.9215     1.0000     0.0785     0.9866     0.9362     0.0504
 59   0     0.9105     1.0000     0.0895     0.9852     0.9323     0.0529
 60   0     6.2053     6.0000    -0.2053     3.9603     3.6169     0.3434
 61   0     6.1759     6.0000    -0.1759     4.0068     3.6830     0.3238
 62   0     6.1740     6.0000    -0.1740     4.0082     3.6875     0.3207
 63   0     6.1692     6.0000    -0.1692     4.0112     3.6945     0.3167
 64   0     6.1772     6.0000    -0.1772     4.0293     3.7046     0.3247
 65   0     0.9112     1.0000     0.0888     0.9859     0.9333     0.0526
 66   0     0.8964     1.0000     0.1036     0.9770     0.9232     0.0538
 67   0     0.9143     1.0000     0.0857     0.9871     0.9360     0.0511
 68   0     0.9043     1.0000     0.0957     0.9860     0.9350     0.0510
 69   0     0.9176     1.0000     0.0824     0.9814     0.9272     0.0542
 70   0     0.9047     1.0000     0.0953     0.9835     0.9293     0.0542
 71   0     0.9181     1.0000     0.0819     0.9848     0.9324     0.0524
 72   0     0.9031     1.0000     0.0969     0.9849     0.9340     0.0509
 73   0     0.9169     1.0000     0.0831     0.9855     0.9321     0.0534
 74   0     0.8987     1.0000     0.1013     0.9887     0.9380     0.0507
 75   0     6.1406     6.0000    -0.1406     3.9902     3.6640     0.3262
 76   0     6.2167     6.0000    -0.2167     3.9913     3.6594     0.3319
 77   0     6.1589     6.0000    -0.1589     3.9879     3.6538     0.3341
 78   0     6.1517     6.0000    -0.1517     3.9812     3.6579     0.3233
 79   0     6.1905     6.0000    -0.1905     4.0194     3.6988     0.3206
 80   0     0.9049     1.0000     0.0951     0.9818     0.9302     0.0516
 81   0     0.9011     1.0000     0.0989     0.9810     0.9306     0.0504
 82   0     0.9117     1.0000     0.0883     0.9839     0.9321     0.0518
 83   0     0.9207     1.0000     0.0793     0.9916     0.9379     0.0537
 84   0     0.9081     1.0000     0.0919     0.9886     0.9332     0.0554
 85   0     0.9403     1.0000     0.0597     1.0077     0.9518     0.0559
 86   0     0.9050     1.0000     0.0950     0.9810     0.9311     0.0499
 87   0     0.9220     1.0000     0.0780     0.9824     0.9281     0.0543
 88   0     0.9033     1.0000     0.0967     0.9882     0.9391     0.0491
 89   0     0.9249     1.0000     0.0751     0.9905     0.9388     0.0517
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.899599
                0             6               4            6                0.911935
                0             6               5            1                0.955227
                0             6               6            1                0.957984
                1             6               2            6                0.916342
                1             6               7            1                0.949804
                1             6               8            1                0.951473
                2             6               3            6                0.894913
                2             6               9            1                0.948006
                2             6              10            1                0.954573
                3             6               4            6                0.888586
                3             6              11            1                0.963625
                3             6              12            1                0.950308
                4             6              13            1                0.952642
                4             6              14            1                0.952037
               15             6              16            6                0.910061
               15             6              19            6                0.888454
               15             6              20            1                0.953632
               15             6              21            1                0.948416
               16             6              17            6                0.901349
               16             6              22            1                0.950709
               16             6              23            1                0.946043
               17             6              18            6                0.908104
               17             6              24            1                0.955014
               17             6              25            1                0.951222
               18             6              19            6                0.930744
               18             6              26            1                0.957593
               18             6              27            1                0.949264
               19             6              28            1                0.957954
               19             6              29            1                0.950212
               30             6              31            6                0.888927
               30             6              34            6                0.913621
               30             6              35            1                0.962516
               30             6              36            1                0.944777
               31             6              32            6                0.906836
               31             6              37            1                0.955300
               31             6              38            1                0.968755
               32             6              33            6                0.913251
               32             6              39            1                0.954687
               32             6              40            1                0.945012
               33             6              34            6                0.911727
               33             6              41            1                0.947971
               33             6              42            1                0.955094
               34             6              43            1                0.957358
               34             6              44            1                0.951438
               45             6              46            6                0.897264
               45             6              49            6                0.920654
               45             6              50            1                0.953759
               45             6              51            1                0.946241
               46             6              47            6                0.907660
               46             6              52            1                0.949399
               46             6              53            1                0.944842
               47             6              48            6                0.905334
               47             6              54            1                0.951906
               47             6              55            1                0.946532
               48             6              49            6                0.910334
               48             6              56            1                0.959757
               48             6              57            1                0.947533
               49             6              58            1                0.955003
               49             6              59            1                0.944747
               60             6              61            6                0.895363
               60             6              64            6                0.901626
               60             6              65            1                0.938321
               60             6              66            1                0.937802
               61             6              62            6                0.915888
               61             6              67            1                0.955372
               61             6              68            1                0.942217
               62             6              63            6                0.910040
               62             6              69            1                0.955007
               62             6              70            1                0.943822
               63             6              64            6                0.922539
               63             6              71            1                0.954757
               63             6              72            1                0.947452
               64             6              73            1                0.951295
               64             6              74            1                0.945399
               75             6              76            6                0.897147
               75             6              79            6                0.906683
               75             6              80            1                0.950128
               75             6              81            1                0.943921
               76             6              77            6                0.893617
               76             6              82            1                0.950773
               76             6              83            1                0.957842
               77             6              78            6                0.907836
               77             6              84            1                0.936630
               77             6              85            1                0.953937
               78             6              79            6                0.894399
               78             6              86            1                0.946770
               78             6              87            1                0.959251
               79             6              88            1                0.953715
               79             6              89            1                0.960858
# -----------------------------------------------------------
$ 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     6.2368     6.0000    -0.2368     3.9797     3.6584     0.3213
  1   0     6.2180     6.0000    -0.2180     3.9767     3.6530     0.3237
  2   0     6.2462     6.0000    -0.2462     4.0207     3.7003     0.3204
  3   0     6.2363     6.0000    -0.2363     3.9602     3.6432     0.3170
  4   0     6.2183     6.0000    -0.2183     3.9776     3.6590     0.3186
  5   0     0.8808     1.0000     0.1192     0.9751     0.9252     0.0499
  6   0     0.8987     1.0000     0.1013     0.9807     0.9277     0.0530
  7   0     0.8874     1.0000     0.1126     0.9769     0.9252     0.0517
  8   0     0.8821     1.0000     0.1179     0.9749     0.9238     0.0511
  9   0     0.8751     1.0000     0.1249     0.9756     0.9240     0.0516
 10   0     0.8873     1.0000     0.1127     0.9805     0.9306     0.0499
 11   0     0.8783     1.0000     0.1217     0.9691     0.9203     0.0488
 12   0     0.8865     1.0000     0.1135     0.9813     0.9312     0.0501
 13   0     0.8786     1.0000     0.1214     0.9714     0.9209     0.0505
 14   0     0.8866     1.0000     0.1134     0.9742     0.9238     0.0504
 15   0     6.2319     6.0000    -0.2319     3.9837     3.6599     0.3238
 16   0     6.2010     6.0000    -0.2010     3.9898     3.6710     0.3188
 17   0     6.2027     6.0000    -0.2027     3.9777     3.6615     0.3162
 18   0     6.2134     6.0000    -0.2134     4.0129     3.7000     0.3129
 19   0     6.1772     6.0000    -0.1772     3.9932     3.6747     0.3185
 20   0     0.8896     1.0000     0.1104     0.9736     0.9212     0.0524
 21   0     0.9010     1.0000     0.0990     0.9740     0.9200     0.0540
 22   0     0.9433     1.0000     0.0567     1.0104     0.9543     0.0561
 23   0     0.8850     1.0000     0.1150     0.9800     0.9314     0.0486
 24   0     0.8899     1.0000     0.1101     0.9806     0.9289     0.0517
 25   0     0.8934     1.0000     0.1066     0.9791     0.9305     0.0486
 26   0     0.8958     1.0000     0.1042     0.9797     0.9293     0.0504
 27   0     0.8856     1.0000     0.1144     0.9787     0.9279     0.0508
 28   0     0.9084     1.0000     0.0916     1.0000     0.9459     0.0541
 29   0     0.8930     1.0000     0.1070     0.9816     0.9302     0.0514
 30   0     6.2483     6.0000    -0.2483     3.9741     3.6542     0.3199
 31   0     6.2104     6.0000    -0.2104     3.9800     3.6661     0.3139
 32   0     6.2171     6.0000    -0.2171     4.0044     3.6803     0.3241
 33   0     6.2122     6.0000    -0.2122     3.9989     3.6755     0.3234
 34   0     6.1903     6.0000    -0.1903     3.9832     3.6712     0.3120
 35   0     0.8938     1.0000     0.1062     0.9780     0.9273     0.0507
 36   0     0.8856     1.0000     0.1144     0.9746     0.9244     0.0502
 37   0     0.8878     1.0000     0.1122     0.9810     0.9307     0.0503
 38   0     0.9031     1.0000     0.0969     1.0094     0.9588     0.0506
 39   0     0.8863     1.0000     0.1137     0.9733     0.9232     0.0501
 40   0     0.9042     1.0000     0.0958     0.9986     0.9457     0.0529
 41   0     0.8887     1.0000     0.1113     0.9748     0.9247     0.0501
 42   0     0.8854     1.0000     0.1146     0.9802     0.9294     0.0508
 43   0     0.8900     1.0000     0.1100     0.9793     0.9307     0.0486
 44   0     0.9020     1.0000     0.0980     0.9812     0.9269     0.0543
 45   0     6.1968     6.0000    -0.1968     3.9872     3.6700     0.3172
 46   0     6.2326     6.0000    -0.2326     3.9905     3.6654     0.3251
 47   0     6.2564     6.0000    -0.2564     4.0055     3.6816     0.3239
 48   0     6.2057     6.0000    -0.2057     3.9824     3.6655     0.3169
 49   0     6.2193     6.0000    -0.2193     4.0030     3.6901     0.3129
 50   0     0.9044     1.0000     0.0956     0.9774     0.9232     0.0542
 51   0     0.8762     1.0000     0.1238     0.9730     0.9246     0.0484
 52   0     0.8998     1.0000     0.1002     0.9854     0.9316     0.0538
 53   0     0.8815     1.0000     0.1185     0.9768     0.9260     0.0508
 54   0     0.8817     1.0000     0.1183     0.9756     0.9257     0.0499
 55   0     0.8819     1.0000     0.1181     0.9785     0.9270     0.0515
 56   0     0.8920     1.0000     0.1080     0.9796     0.9302     0.0494
 57   0     0.8899     1.0000     0.1101     0.9761     0.9250     0.0511
 58   0     0.8956     1.0000     0.1044     0.9776     0.9282     0.0494
 59   0     0.8858     1.0000     0.1142     0.9757     0.9239     0.0518
 60   0     6.2508     6.0000    -0.2508     3.9587     3.6202     0.3385
 61   0     6.2262     6.0000    -0.2262     3.9881     3.6685     0.3196
 62   0     6.2139     6.0000    -0.2139     3.9946     3.6787     0.3159
 63   0     6.2212     6.0000    -0.2212     4.0003     3.6877     0.3126
 64   0     6.2237     6.0000    -0.2237     4.0100     3.6895     0.3205
 65   0     0.8930     1.0000     0.1070     0.9798     0.9283     0.0515
 66   0     0.8732     1.0000     0.1268     0.9685     0.9160     0.0525
 67   0     0.8878     1.0000     0.1122     0.9782     0.9282     0.0500
 68   0     0.8810     1.0000     0.1190     0.9784     0.9285     0.0499
 69   0     0.8924     1.0000     0.1076     0.9735     0.9203     0.0532
 70   0     0.8848     1.0000     0.1152     0.9762     0.9229     0.0533
 71   0     0.8919     1.0000     0.1081     0.9750     0.9237     0.0513
 72   0     0.8815     1.0000     0.1185     0.9768     0.9269     0.0499
 73   0     0.8926     1.0000     0.1074     0.9770     0.9246     0.0524
 74   0     0.8760     1.0000     0.1240     0.9796     0.9299     0.0497
 75   0     6.1936     6.0000    -0.1936     3.9790     3.6569     0.3221
 76   0     6.2633     6.0000    -0.2633     3.9736     3.6462     0.3274
 77   0     6.2050     6.0000    -0.2050     3.9672     3.6376     0.3296
 78   0     6.2091     6.0000    -0.2091     3.9673     3.6482     0.3191
 79   0     6.2405     6.0000    -0.2405     3.9905     3.6737     0.3168
 80   0     0.8817     1.0000     0.1183     0.9755     0.9249     0.0506
 81   0     0.8815     1.0000     0.1185     0.9751     0.9257     0.0494
 82   0     0.8873     1.0000     0.1127     0.9773     0.9266     0.0507
 83   0     0.8896     1.0000     0.1104     0.9836     0.9313     0.0523
 84   0     0.8865     1.0000     0.1135     0.9834     0.9292     0.0542
 85   0     0.9073     1.0000     0.0927     1.0021     0.9477     0.0544
 86   0     0.8829     1.0000     0.1171     0.9744     0.9255     0.0489
 87   0     0.8932     1.0000     0.1068     0.9749     0.9219     0.0530
 88   0     0.8808     1.0000     0.1192     0.9801     0.9320     0.0481
 89   0     0.8947     1.0000     0.1053     0.9802     0.9297     0.0505
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.906640
                0             6               4            6                0.916640
                0             6               5            1                0.940537
                0             6               6            1                0.944153
                1             6               2            6                0.924613
                1             6               7            1                0.936071
                1             6               8            1                0.936598
                2             6               3            6                0.902700
                2             6               9            1                0.934211
                2             6              10            1                0.940568
                3             6               4            6                0.899502
                3             6              11            1                0.950692
                3             6              12            1                0.935766
                4             6              13            1                0.939943
                4             6              14            1                0.936937
               15             6              16            6                0.920872
               15             6              19            6                0.896712
               15             6              20            1                0.937911
               15             6              21            1                0.936025
               16             6              17            6                0.909303
               16             6              22            1                0.935939
               16             6              23            1                0.935393
               17             6              18            6                0.915213
               17             6              24            1                0.939887
               17             6              25            1                0.939605
               18             6              19            6                0.939037
               18             6              26            1                0.944693
               18             6              27            1                0.934044
               19             6              28            1                0.940155
               19             6              29            1                0.933076
               30             6              31            6                0.896357
               30             6              34            6                0.924588
               30             6              35            1                0.947859
               30             6              36            1                0.929415
               31             6              32            6                0.919599
               31             6              37            1                0.936841
               31             6              38            1                0.957312
               32             6              33            6                0.918354
               32             6              39            1                0.939906
               32             6              40            1                0.933469
               33             6              34            6                0.920031
               33             6              41            1                0.934053
               33             6              42            1                0.939971
               34             6              43            1                0.940036
               34             6              44            1                0.935702
               45             6              46            6                0.913562
               45             6              49            6                0.928770
               45             6              50            1                0.935334
               45             6              51            1                0.934650
               46             6              47            6                0.917269
               46             6              52            1                0.936206
               46             6              53            1                0.933742
               47             6              48            6                0.913540
               47             6              54            1                0.940598
               47             6              55            1                0.931617
               48             6              49            6                0.920157
               48             6              56            1                0.946222
               48             6              57            1                0.934362
               49             6              58            1                0.942371
               49             6              59            1                0.928835
               60             6              61            6                0.900599
               60             6              64            6                0.910672
               60             6              65            1                0.924726
               60             6              66            1                0.924928
               61             6              62            6                0.926298
               61             6              67            1                0.941643
               61             6              68            1                0.930113
               62             6              63            6                0.924648
               62             6              69            1                0.941741
               62             6              70            1                0.924818
               63             6              64            6                0.931041
               63             6              71            1                0.940339
               63             6              72            1                0.932201
               64             6              73            1                0.937160
               64             6              74            1                0.932296
               75             6              76            6                0.910775
               75             6              79            6                0.907094
               75             6              80            1                0.936979
               75             6              81            1                0.932759
               76             6              77            6                0.894065
               76             6              82            1                0.938056
               76             6              83            1                0.945204
               77             6              78            6                0.918253
               77             6              84            1                0.919320
               77             6              85            1                0.945074
               78             6              79            6                0.901625
               78             6              86            1                0.934689
               78             6              87            1                0.943741
               79             6              88            1                0.940310
               79             6              89            1                0.949466
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2197355655
        Correlation Energy:       -5.0782013014
        Total MP2 Energy:      -1176.2979368668
# -----------------------------------------------------------
$ 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) :        0.0888268314
        Electronic Contribution:
                  0    
      0       0.244187
      1      -0.251346
      2      -0.215480
        Nuclear Contribution:
                  0    
      0      -0.216902
      1       0.273135
      2       0.216902
        Total Dipole moment:
                  0    
      0       0.027285
      1       0.021789
      2       0.001422
# -----------------------------------------------------------
$ 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) :        0.0903607026
        Electronic Contribution:
                  0    
      0       0.244499
      1      -0.250793
      2      -0.215168
        Nuclear Contribution:
                  0    
      0      -0.216902
      1       0.273135
      2       0.216902
        Total Dipole moment:
                  0    
      0       0.027597
      1       0.022342
      2       0.001734
# -----------------------------------------------------------
$ 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) :        0.1144216175
        Electronic Contribution:
                  0    
      0       0.248313
      1      -0.240896
      2      -0.217538
        Nuclear Contribution:
                  0    
      0      -0.216902
      1       0.273135
      2       0.216902
        Total Dipole moment:
                  0    
      0       0.031411
      1       0.032239
      2      -0.000636
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     17.870000000000   17.560000000000   17.510000000000
               1 C     16.850000000000   18.640000000000   18.020000000000
               2 C     17.310000000000   20.030000000000   17.450000000000
               3 C     18.310000000000   19.700000000000   16.370000000000
               4 C     18.700000000000   18.220000000000   16.390000000000
               5 H     17.390000000000   16.620000000000   17.250000000000
               6 H     18.550000000000   17.260000000000   18.310000000000
               7 H     16.840000000000   18.630000000000   19.120000000000
               8 H     15.890000000000   18.200000000000   17.740000000000
               9 H     17.720000000000   20.680000000000   18.260000000000
              10 H     16.440000000000   20.500000000000   17.060000000000
              11 H     19.220000000000   20.170000000000   16.570000000000
              12 H     18.020000000000   20.090000000000   15.400000000000
              13 H     19.770000000000   17.990000000000   16.490000000000
              14 H     18.430000000000   17.720000000000   15.470000000000
              15 C     21.580000000000   20.710000000000   19.690000000000
              16 C     20.490000000000   19.650000000000   19.610000000000
              17 C     21.030000000000   18.350000000000   20.290000000000
              18 C     22.540000000000   18.560000000000   20.250000000000
              19 C     22.920000000000   20.050000000000   20.070000000000
              20 H     21.330000000000   21.510000000000   20.430000000000
              21 H     21.730000000000   21.170000000000   18.700000000000
              22 H     20.260000000000   19.320000000000   18.570000000000
              23 H     19.580000000000   19.990000000000   20.030000000000
              24 H     20.760000000000   17.440000000000   19.710000000000
              25 H     20.670000000000   18.270000000000   21.280000000000
              26 H     22.810000000000   17.980000000000   19.400000000000
              27 H     22.960000000000   18.060000000000   21.130000000000
              28 H     23.630000000000   20.340000000000   19.260000000000
              29 H     23.200000000000   20.570000000000   21.000000000000
              30 C     18.260000000000   23.450000000000   17.360000000000
              31 C     19.220000000000   23.120000000000   16.220000000000
              32 C     20.670000000000   23.450000000000   16.740000000000
              33 C     20.480000000000   23.980000000000   18.260000000000
              34 C     19.060000000000   23.570000000000   18.640000000000
              35 H     17.550000000000   22.670000000000   17.420000000000
              36 H     17.540000000000   24.240000000000   17.160000000000
              37 H     19.020000000000   23.700000000000   15.320000000000
              38 H     19.080000000000   22.110000000000   16.000000000000
              39 H     21.060000000000   24.260000000000   16.140000000000
              40 H     21.430000000000   22.700000000000   16.730000000000
              41 H     20.580000000000   25.060000000000   18.360000000000
              42 H     21.110000000000   23.510000000000   19.010000000000
              43 H     18.610000000000   24.230000000000   19.320000000000
              44 H     19.080000000000   22.650000000000   19.270000000000
              45 C     16.960000000000   27.320000000000   13.480000000000
              46 C     16.230000000000   25.950000000000   13.720000000000
              47 C     14.980000000000   26.240000000000   14.630000000000
              48 C     14.850000000000   27.810000000000   14.590000000000
              49 C     16.250000000000   28.400000000000   14.270000000000
              50 H     16.730000000000   27.520000000000   12.400000000000
              51 H     18.010000000000   27.440000000000   13.650000000000
              52 H     17.000000000000   25.370000000000   14.260000000000
              53 H     15.990000000000   25.480000000000   12.750000000000
              54 H     15.140000000000   25.920000000000   15.650000000000
              55 H     14.080000000000   25.700000000000   14.260000000000
              56 H     14.520000000000   28.170000000000   15.530000000000
              57 H     14.050000000000   28.100000000000   13.900000000000
              58 H     16.700000000000   28.630000000000   15.200000000000
              59 H     16.180000000000   29.390000000000   13.760000000000
              60 C     24.270000000000   21.370000000000   17.030000000000
              61 C     23.650000000000   21.070000000000   15.580000000000
              62 C     24.810000000000   20.840000000000   14.650000000000
              63 C     26.050000000000   21.350000000000   15.350000000000
              64 C     25.660000000000   22.030000000000   16.670000000000
              65 H     24.510000000000   20.460000000000   17.610000000000
              66 H     23.650000000000   22.160000000000   17.560000000000
              67 H     23.160000000000   21.980000000000   15.270000000000
              68 H     22.940000000000   20.250000000000   15.690000000000
              69 H     24.640000000000   21.480000000000   13.740000000000
              70 H     24.780000000000   19.750000000000   14.300000000000
              71 H     26.520000000000   22.110000000000   14.720000000000
              72 H     26.790000000000   20.560000000000   15.410000000000
              73 H     25.490000000000   23.120000000000   16.500000000000
              74 H     26.350000000000   21.940000000000   17.510000000000
              75 C     16.410000000000   20.690000000000   12.860000000000
              76 C     16.470000000000   22.170000000000   13.310000000000
              77 C     15.410000000000   22.440000000000   14.490000000000
              78 C     14.590000000000   21.120000000000   14.540000000000
              79 C     15.290000000000   19.990000000000   13.780000000000
              80 H     17.400000000000   20.240000000000   13.020000000000
              81 H     16.130000000000   20.640000000000   11.810000000000
              82 H     16.310000000000   22.850000000000   12.480000000000
              83 H     17.440000000000   22.440000000000   13.730000000000
              84 H     14.850000000000   23.400000000000   14.210000000000
              85 H     16.010000000000   22.580000000000   15.430000000000
              86 H     13.580000000000   21.180000000000   14.200000000000
              87 H     14.530000000000   20.790000000000   15.600000000000
              88 H     14.610000000000   19.320000000000   13.320000000000
              89 H     15.720000000000   19.390000000000   14.530000000000
