-------------------------------------------------------------
----------------------- !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:    -1171.1932749338
# -----------------------------------------------------------
$ 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     6.2044     6.0000    -0.2044     3.8761     3.8761    -0.0000
  1   0     6.1884     6.0000    -0.1884     3.8922     3.8922    -0.0000
  2   0     6.1567     6.0000    -0.1567     3.8901     3.8901    -0.0000
  3   0     6.0893     6.0000    -0.0893     3.9291     3.9291    -0.0000
  4   0     6.1344     6.0000    -0.1344     3.8567     3.8567    -0.0000
  5   0     0.8986     1.0000     0.1014     0.9671     0.9671    -0.0000
  6   0     0.9136     1.0000     0.0864     0.9715     0.9715    -0.0000
  7   0     0.9128     1.0000     0.0872     0.9696     0.9696    -0.0000
  8   0     0.9229     1.0000     0.0771     0.9758     0.9758    -0.0000
  9   0     0.9266     1.0000     0.0734     0.9749     0.9749    -0.0000
 10   0     0.9342     1.0000     0.0658     0.9878     0.9878    -0.0000
 11   0     0.9088     1.0000     0.0912     0.9657     0.9657    -0.0000
 12   0     0.9176     1.0000     0.0824     0.9750     0.9750    -0.0000
 13   0     0.9406     1.0000     0.0594     1.0073     1.0073    -0.0000
 14   0     0.9485     1.0000     0.0515     0.9871     0.9871    -0.0000
 15   0     6.1746     6.0000    -0.1746     3.8965     3.8965     0.0000
 16   0     6.1313     6.0000    -0.1313     3.8718     3.8718     0.0000
 17   0     6.1801     6.0000    -0.1801     3.9104     3.9104     0.0000
 18   0     6.1472     6.0000    -0.1472     3.8716     3.8716    -0.0000
 19   0     6.1499     6.0000    -0.1499     3.8872     3.8872    -0.0000
 20   0     0.9182     1.0000     0.0818     0.9762     0.9762     0.0000
 21   0     0.9156     1.0000     0.0844     0.9748     0.9748     0.0000
 22   0     0.9467     1.0000     0.0533     0.9951     0.9951    -0.0000
 23   0     0.9209     1.0000     0.0791     0.9826     0.9826     0.0000
 24   0     0.9304     1.0000     0.0696     0.9799     0.9799     0.0000
 25   0     0.9124     1.0000     0.0876     0.9723     0.9723     0.0000
 26   0     0.8935     1.0000     0.1065     0.9645     0.9645    -0.0000
 27   0     0.9333     1.0000     0.0667     0.9820     0.9820    -0.0000
 28   0     0.9292     1.0000     0.0708     0.9827     0.9827    -0.0000
 29   0     0.9113     1.0000     0.0887     0.9696     0.9696    -0.0000
 30   0     6.1398     6.0000    -0.1398     3.8881     3.8881     0.0000
 31   0     6.1477     6.0000    -0.1477     3.9271     3.9271    -0.0000
 32   0     6.1248     6.0000    -0.1248     3.8661     3.8661    -0.0000
 33   0     6.1979     6.0000    -0.1979     3.9138     3.9138     0.0000
 34   0     6.1620     6.0000    -0.1620     3.9030     3.9030     0.0000
 35   0     0.9321     1.0000     0.0679     0.9818     0.9818    -0.0000
 36   0     0.9112     1.0000     0.0888     0.9772     0.9772     0.0000
 37   0     0.9297     1.0000     0.0703     0.9772     0.9772    -0.0000
 38   0     0.9121     1.0000     0.0879     0.9744     0.9744    -0.0000
 39   0     0.9284     1.0000     0.0716     0.9866     0.9866    -0.0000
 40   0     0.9303     1.0000     0.0697     0.9766     0.9766     0.0000
 41   0     0.9291     1.0000     0.0709     0.9757     0.9757    -0.0000
 42   0     0.9155     1.0000     0.0845     0.9689     0.9689     0.0000
 43   0     0.9226     1.0000     0.0774     0.9732     0.9732     0.0000
 44   0     0.9162     1.0000     0.0838     0.9752     0.9752    -0.0000
 45   0     6.2027     6.0000    -0.2027     3.8905     3.8905    -0.0000
 46   0     6.1380     6.0000    -0.1380     3.8208     3.8208    -0.0000
 47   0     6.1609     6.0000    -0.1609     3.9058     3.9058     0.0000
 48   0     6.1833     6.0000    -0.1833     3.9169     3.9169    -0.0000
 49   0     6.1172     6.0000    -0.1172     3.8745     3.8745    -0.0000
 50   0     0.9005     1.0000     0.0995     0.9674     0.9674    -0.0000
 51   0     0.9330     1.0000     0.0670     0.9764     0.9764    -0.0000
 52   0     0.9096     1.0000     0.0904     0.9704     0.9704    -0.0000
 53   0     0.9582     1.0000     0.0418     0.9898     0.9898    -0.0000
 54   0     0.9072     1.0000     0.0928     0.9798     0.9798     0.0000
 55   0     0.9166     1.0000     0.0834     0.9747     0.9747    -0.0000
 56   0     0.9178     1.0000     0.0822     0.9757     0.9757    -0.0000
 57   0     0.9120     1.0000     0.0880     0.9751     0.9751     0.0000
 58   0     0.9252     1.0000     0.0748     0.9754     0.9754    -0.0000
 59   0     0.9172     1.0000     0.0828     0.9769     0.9769     0.0000
 60   0     6.1818     6.0000    -0.1818     3.9047     3.9047     0.0000
 61   0     6.1377     6.0000    -0.1377     3.9019     3.9019     0.0000
 62   0     6.1185     6.0000    -0.1185     3.8847     3.8847     0.0000
 63   0     6.2442     6.0000    -0.2442     3.8605     3.8605     0.0000
 64   0     6.1553     6.0000    -0.1553     3.8589     3.8589     0.0000
 65   0     0.9157     1.0000     0.0843     0.9720     0.9720     0.0000
 66   0     0.9101     1.0000     0.0899     0.9784     0.9784     0.0000
 67   0     0.9257     1.0000     0.0743     0.9800     0.9800     0.0000
 68   0     0.9087     1.0000     0.0913     0.9775     0.9775     0.0000
 69   0     0.8999     1.0000     0.1001     0.9737     0.9737     0.0000
 70   0     0.9357     1.0000     0.0643     0.9824     0.9824    -0.0000
 71   0     0.9250     1.0000     0.0750     0.9746     0.9746     0.0000
 72   0     0.9094     1.0000     0.0906     0.9664     0.9664     0.0000
 73   0     0.9055     1.0000     0.0945     0.9699     0.9699     0.0000
 74   0     0.9165     1.0000     0.0835     0.9778     0.9778     0.0000
 75   0     6.1608     6.0000    -0.1608     3.9039     3.9039    -0.0000
 76   0     6.1747     6.0000    -0.1747     3.9390     3.9390     0.0000
 77   0     6.1094     6.0000    -0.1094     3.9036     3.9036     0.0000
 78   0     6.2263     6.0000    -0.2263     3.9090     3.9090     0.0000
 79   0     6.0187     6.0000    -0.0187     3.7772     3.7772     0.0000
 80   0     0.9204     1.0000     0.0796     0.9789     0.9789    -0.0000
 81   0     0.9164     1.0000     0.0836     0.9713     0.9713    -0.0000
 82   0     0.9233     1.0000     0.0767     0.9824     0.9824    -0.0000
 83   0     0.9132     1.0000     0.0868     0.9728     0.9728     0.0000
 84   0     0.9064     1.0000     0.0936     0.9758     0.9758     0.0000
 85   0     0.9253     1.0000     0.0747     0.9849     0.9849     0.0000
 86   0     0.9139     1.0000     0.0861     0.9803     0.9803     0.0000
 87   0     0.9196     1.0000     0.0804     0.9734     0.9734     0.0000
 88   0     0.9381     1.0000     0.0619     0.9841     0.9841     0.0000
 89   0     1.0531     1.0000    -0.0531     1.0614     1.0614     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                0.991888
                0             6               4            6                0.948650
                0             6               5            1                0.980237
                0             6               6            1                0.990259
                1             6               2            6                0.960867
                1             6               7            1                0.992044
                1             6               8            1                0.990749
                2             6               3            6                0.990638
                2             6               9            1                0.994274
                2             6              10            1                0.993411
                3             6               4            6                0.977966
                3             6              11            1                0.998523
                3             6              12            1                0.989879
                4             6              13            1                0.996397
                4             6              14            1                0.992381
               15             6              16            6                0.969530
               15             6              19            6                0.965949
               15             6              20            1                0.990963
               15             6              21            1                0.993056
               16             6              17            6                0.965686
               16             6              22            1                0.994681
               16             6              23            1                0.993111
               17             6              18            6                0.975329
               17             6              24            1                0.999246
               17             6              25            1                0.986582
               18             6              19            6                0.956588
               18             6              26            1                0.986192
               18             6              27            1                0.991452
               19             6              28            1                0.999505
               19             6              29            1                0.987682
               30             6              31            6                0.981326
               30             6              34            6                0.965888
               30             6              35            1                0.997138
               30             6              36            1                0.987152
               31             6              32            6                0.976797
               31             6              37            1                0.998585
               31             6              38            1                0.990969
               32             6              33            6                0.963174
               32             6              39            1                0.993642
               32             6              40            1                0.987742
               33             6              34            6                0.980035
               33             6              41            1                0.999109
               33             6              42            1                0.990191
               34             6              43            1                0.994692
               34             6              44            1                0.994095
               45             6              46            6                0.953070
               45             6              49            6                0.966989
               45             6              50            1                0.988133
               45             6              51            1                0.998188
               46             6              47            6                0.945935
               46             6              52            1                0.992579
               46             6              53            1                1.004068
               47             6              48            6                0.983287
               47             6              54            1                0.995581
               47             6              55            1                0.991982
               48             6              49            6                0.973702
               48             6              56            1                0.997482
               48             6              57            1                0.989740
               49             6              58            1                1.002855
               49             6              59            1                0.987811
               60             6              61            6                0.985831
               60             6              64            6                0.959482
               60             6              65            1                0.992992
               60             6              66            1                0.992399
               61             6              62            6                0.984536
               61             6              67            1                0.985091
               61             6              68            1                0.985512
               62             6              63            6                0.946389
               62             6              69            1                0.987026
               62             6              70            1                1.005539
               63             6              64            6                0.964698
               63             6              71            1                0.991759
               63             6              72            1                0.993690
               64             6              73            1                0.985794
               64             6              74            1                0.999746
               75             6              76            6                0.977751
               75             6              79            6                0.937749
               75             6              80            1                1.001983
               75             6              81            1                0.996729
               76             6              77            6                0.997090
               76             6              82            1                0.991051
               76             6              83            1                0.990426
               77             6              78            6                0.968492
               77             6              84            1                0.984605
               77             6              85            1                0.992722
               78             6              79            6                0.945993
               78             6              86            1                0.992068
               78             6              87            1                0.998814
               79             6              88            1                0.986660
               79             6              89            1                0.999913
# -----------------------------------------------------------
$ 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     6.2124     6.0000    -0.2124     3.9945     3.6533     0.3412
  1   0     6.1971     6.0000    -0.1971     4.0065     3.6755     0.3310
  2   0     6.1653     6.0000    -0.1653     4.0015     3.6800     0.3215
  3   0     6.0986     6.0000    -0.0986     4.0354     3.7172     0.3182
  4   0     6.1431     6.0000    -0.1431     3.9718     3.6314     0.3404
  5   0     0.8943     1.0000     0.1057     0.9757     0.9205     0.0552
  6   0     0.9098     1.0000     0.0902     0.9816     0.9272     0.0544
  7   0     0.9085     1.0000     0.0915     0.9787     0.9263     0.0524
  8   0     0.9183     1.0000     0.0817     0.9850     0.9306     0.0544
  9   0     0.9223     1.0000     0.0777     0.9843     0.9293     0.0550
 10   0     0.9295     1.0000     0.0705     0.9973     0.9464     0.0509
 11   0     0.9043     1.0000     0.0957     0.9745     0.9249     0.0496
 12   0     0.9131     1.0000     0.0869     0.9839     0.9333     0.0506
 13   0     0.9363     1.0000     0.0637     1.0169     0.9604     0.0565
 14   0     0.9446     1.0000     0.0554     0.9979     0.9391     0.0588
 15   0     6.1831     6.0000    -0.1831     4.0069     3.6887     0.3182
 16   0     6.1386     6.0000    -0.1386     3.9776     3.6619     0.3157
 17   0     6.1883     6.0000    -0.1883     4.0204     3.7032     0.3172
 18   0     6.1556     6.0000    -0.1556     3.9819     3.6653     0.3166
 19   0     6.1585     6.0000    -0.1585     3.9954     3.6830     0.3124
 20   0     0.9141     1.0000     0.0859     0.9856     0.9355     0.0501
 21   0     0.9115     1.0000     0.0885     0.9839     0.9341     0.0498
 22   0     0.9431     1.0000     0.0569     1.0058     0.9528     0.0530
 23   0     0.9169     1.0000     0.0831     0.9919     0.9428     0.0491
 24   0     0.9266     1.0000     0.0734     0.9899     0.9390     0.0509
 25   0     0.9083     1.0000     0.0917     0.9814     0.9313     0.0501
 26   0     0.8893     1.0000     0.1107     0.9726     0.9227     0.0499
 27   0     0.9290     1.0000     0.0710     0.9917     0.9389     0.0528
 28   0     0.9251     1.0000     0.0749     0.9921     0.9425     0.0496
 29   0     0.9071     1.0000     0.0929     0.9786     0.9284     0.0502
 30   0     6.1474     6.0000    -0.1474     3.9945     3.6768     0.3177
 31   0     6.1556     6.0000    -0.1556     4.0335     3.7180     0.3155
 32   0     6.1328     6.0000    -0.1328     3.9737     3.6587     0.3150
 33   0     6.2054     6.0000    -0.2054     4.0245     3.7053     0.3192
 34   0     6.1698     6.0000    -0.1698     4.0107     3.6935     0.3172
 35   0     0.9283     1.0000     0.0717     0.9918     0.9408     0.0510
 36   0     0.9073     1.0000     0.0927     0.9863     0.9354     0.0509
 37   0     0.9258     1.0000     0.0742     0.9871     0.9344     0.0527
 38   0     0.9081     1.0000     0.0919     0.9835     0.9311     0.0524
 39   0     0.9248     1.0000     0.0752     0.9970     0.9428     0.0542
 40   0     0.9264     1.0000     0.0736     0.9864     0.9315     0.0549
 41   0     0.9249     1.0000     0.0751     0.9851     0.9324     0.0527
 42   0     0.9114     1.0000     0.0886     0.9782     0.9235     0.0547
 43   0     0.9187     1.0000     0.0813     0.9828     0.9301     0.0527
 44   0     0.9123     1.0000     0.0877     0.9845     0.9311     0.0534
 45   0     6.2106     6.0000    -0.2106     4.0031     3.6786     0.3245
 46   0     6.1452     6.0000    -0.1452     3.9310     3.6108     0.3202
 47   0     6.1687     6.0000    -0.1687     4.0153     3.6910     0.3243
 48   0     6.1907     6.0000    -0.1907     4.0254     3.7018     0.3236
 49   0     6.1253     6.0000    -0.1253     3.9816     3.6654     0.3162
 50   0     0.8966     1.0000     0.1034     0.9762     0.9251     0.0511
 51   0     0.9288     1.0000     0.0712     0.9862     0.9338     0.0524
 52   0     0.9057     1.0000     0.0943     0.9797     0.9289     0.0508
 53   0     0.9544     1.0000     0.0456     1.0013     0.9454     0.0559
 54   0     0.9035     1.0000     0.0965     0.9888     0.9400     0.0488
 55   0     0.9129     1.0000     0.0871     0.9840     0.9310     0.0530
 56   0     0.9141     1.0000     0.0859     0.9852     0.9324     0.0528
 57   0     0.9083     1.0000     0.0917     0.9844     0.9323     0.0521
 58   0     0.9212     1.0000     0.0788     0.9850     0.9329     0.0521
 59   0     0.9135     1.0000     0.0865     0.9864     0.9353     0.0511
 60   0     6.1896     6.0000    -0.1896     4.0152     3.6901     0.3251
 61   0     6.1457     6.0000    -0.1457     4.0102     3.6866     0.3236
 62   0     6.1262     6.0000    -0.1262     3.9917     3.6759     0.3158
 63   0     6.2528     6.0000    -0.2528     3.9803     3.6472     0.3331
 64   0     6.1627     6.0000    -0.1627     3.9695     3.6453     0.3242
 65   0     0.9119     1.0000     0.0881     0.9815     0.9276     0.0539
 66   0     0.9063     1.0000     0.0937     0.9875     0.9352     0.0523
 67   0     0.9218     1.0000     0.0782     0.9896     0.9367     0.0529
 68   0     0.9048     1.0000     0.0952     0.9865     0.9341     0.0524
 69   0     0.8959     1.0000     0.1041     0.9824     0.9355     0.0469
 70   0     0.9318     1.0000     0.0682     0.9926     0.9407     0.0519
 71   0     0.9210     1.0000     0.0790     0.9845     0.9304     0.0541
 72   0     0.9053     1.0000     0.0947     0.9757     0.9229     0.0528
 73   0     0.9015     1.0000     0.0985     0.9788     0.9262     0.0526
 74   0     0.9125     1.0000     0.0875     0.9870     0.9337     0.0533
 75   0     6.1688     6.0000    -0.1688     4.0114     3.6995     0.3119
 76   0     6.1824     6.0000    -0.1824     4.0467     3.7277     0.3190
 77   0     6.1174     6.0000    -0.1174     4.0091     3.6920     0.3171
 78   0     6.2338     6.0000    -0.2338     4.0215     3.6951     0.3264
 79   0     6.0255     6.0000    -0.0255     3.8809     3.5586     0.3223
 80   0     0.9165     1.0000     0.0835     0.9883     0.9390     0.0493
 81   0     0.9125     1.0000     0.0875     0.9808     0.9296     0.0512
 82   0     0.9194     1.0000     0.0806     0.9919     0.9394     0.0525
 83   0     0.9092     1.0000     0.0908     0.9820     0.9294     0.0526
 84   0     0.9026     1.0000     0.0974     0.9848     0.9354     0.0494
 85   0     0.9214     1.0000     0.0786     0.9942     0.9431     0.0511
 86   0     0.9100     1.0000     0.0900     0.9895     0.9407     0.0488
 87   0     0.9157     1.0000     0.0843     0.9830     0.9307     0.0523
 88   0     0.9337     1.0000     0.0663     0.9942     0.9396     0.0546
 89   0     1.0502     1.0000    -0.0502     1.0769     1.0156     0.0613
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.925244
                0             6               4            6                0.884519
                0             6               5            1                0.934759
                0             6               6            1                0.947137
                1             6               2            6                0.899567
                1             6               7            1                0.949580
                1             6               8            1                0.946744
                2             6               3            6                0.929360
                2             6               9            1                0.949624
                2             6              10            1                0.953329
                3             6               4            6                0.911696
                3             6              11            1                0.958644
                3             6              12            1                0.949169
                4             6              13            1                0.950834
                4             6              14            1                0.945714
               15             6              16            6                0.906007
               15             6              19            6                0.903825
               15             6              20            1                0.951564
               15             6              21            1                0.953580
               16             6              17            6                0.901998
               16             6              22            1                0.953735
               16             6              23            1                0.954455
               17             6              18            6                0.914627
               17             6              24            1                0.959583
               17             6              25            1                0.947115
               18             6              19            6                0.897239
               18             6              26            1                0.945379
               18             6              27            1                0.949747
               19             6              28            1                0.960455
               19             6              29            1                0.947810
               30             6              31            6                0.916803
               30             6              34            6                0.902415
               30             6              35            1                0.957327
               30             6              36            1                0.946876
               31             6              32            6                0.918930
               31             6              37            1                0.957037
               31             6              38            1                0.949133
               32             6              33            6                0.903311
               32             6              39            1                0.951189
               32             6              40            1                0.943526
               33             6              34            6                0.921640
               33             6              41            1                0.956594
               33             6              42            1                0.946134
               34             6              43            1                0.952824
               34             6              44            1                0.951437
               45             6              46            6                0.891765
               45             6              49            6                0.903105
               45             6              50            1                0.946758
               45             6              51            1                0.956529
               46             6              47            6                0.883208
               46             6              52            1                0.952055
               46             6              53            1                0.960500
               47             6              48            6                0.916161
               47             6              54            1                0.957091
               47             6              55            1                0.949535
               48             6              49            6                0.912753
               48             6              56            1                0.955303
               48             6              57            1                0.948389
               49             6              58            1                0.961170
               49             6              59            1                0.947534
               60             6              61            6                0.922685
               60             6              64            6                0.896372
               60             6              65            1                0.949929
               60             6              66            1                0.950789
               61             6              62            6                0.919080
               61             6              67            1                0.943508
               61             6              68            1                0.943837
               62             6              63            6                0.883655
               62             6              69            1                0.950303
               62             6              70            1                0.964738
               63             6              64            6                0.902875
               63             6              71            1                0.948491
               63             6              72            1                0.951151
               64             6              73            1                0.943350
               64             6              74            1                0.956529
               75             6              76            6                0.917533
               75             6              79            6                0.876194
               75             6              80            1                0.963213
               75             6              81            1                0.956230
               76             6              77            6                0.933414
               76             6              82            1                0.949575
               76             6              83            1                0.948328
               77             6              78            6                0.903436
               77             6              84            1                0.945739
               77             6              85            1                0.952151
               78             6              79            6                0.879917
               78             6              86            1                0.953851
               78             6              87            1                0.957137
               79             6              88            1                0.942722
               79             6              89            1                0.955228
# -----------------------------------------------------------
$ 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     6.2565     6.0000    -0.2565     3.9824     3.6467     0.3357
  1   0     6.2417     6.0000    -0.2417     3.9818     3.6558     0.3260
  2   0     6.2157     6.0000    -0.2157     3.9705     3.6539     0.3166
  3   0     6.1701     6.0000    -0.1701     4.0189     3.7049     0.3140
  4   0     6.1896     6.0000    -0.1896     3.9445     3.6093     0.3352
  5   0     0.8722     1.0000     0.1278     0.9699     0.9160     0.0539
  6   0     0.8894     1.0000     0.1106     0.9820     0.9290     0.0530
  7   0     0.8812     1.0000     0.1188     0.9719     0.9209     0.0510
  8   0     0.8931     1.0000     0.1069     0.9845     0.9315     0.0530
  9   0     0.8917     1.0000     0.1083     0.9751     0.9215     0.0536
 10   0     0.9021     1.0000     0.0979     0.9968     0.9472     0.0496
 11   0     0.8805     1.0000     0.1195     0.9713     0.9228     0.0485
 12   0     0.8936     1.0000     0.1064     0.9814     0.9319     0.0495
 13   0     0.9034     1.0000     0.0966     1.0065     0.9517     0.0548
 14   0     0.9198     1.0000     0.0802     0.9982     0.9409     0.0573
 15   0     6.2303     6.0000    -0.2303     3.9811     3.6669     0.3142
 16   0     6.2015     6.0000    -0.2015     3.9543     3.6422     0.3121
 17   0     6.2360     6.0000    -0.2360     3.9887     3.6755     0.3132
 18   0     6.2053     6.0000    -0.2053     3.9571     3.6449     0.3122
 19   0     6.2153     6.0000    -0.2153     3.9707     3.6622     0.3085
 20   0     0.8914     1.0000     0.1086     0.9788     0.9297     0.0491
 21   0     0.8859     1.0000     0.1141     0.9788     0.9302     0.0486
 22   0     0.9073     1.0000     0.0927     0.9973     0.9458     0.0515
 23   0     0.8907     1.0000     0.1093     0.9840     0.9360     0.0480
 24   0     0.8977     1.0000     0.1023     0.9848     0.9352     0.0496
 25   0     0.8855     1.0000     0.1145     0.9753     0.9262     0.0491
 26   0     0.8628     1.0000     0.1372     0.9714     0.9228     0.0486
 27   0     0.9048     1.0000     0.0952     0.9836     0.9319     0.0517
 28   0     0.8948     1.0000     0.1052     0.9844     0.9361     0.0483
 29   0     0.8846     1.0000     0.1154     0.9738     0.9246     0.0492
 30   0     6.2004     6.0000    -0.2004     3.9781     3.6641     0.3140
 31   0     6.2007     6.0000    -0.2007     4.0113     3.7002     0.3111
 32   0     6.1992     6.0000    -0.1992     3.9743     3.6635     0.3108
 33   0     6.2524     6.0000    -0.2524     4.0106     3.6960     0.3146
 34   0     6.2176     6.0000    -0.2176     3.9978     3.6851     0.3127
 35   0     0.9026     1.0000     0.0974     0.9823     0.9323     0.0500
 36   0     0.8848     1.0000     0.1152     0.9789     0.9290     0.0499
 37   0     0.9010     1.0000     0.0990     0.9791     0.9275     0.0516
 38   0     0.8850     1.0000     0.1150     0.9762     0.9248     0.0514
 39   0     0.8931     1.0000     0.1069     0.9882     0.9355     0.0527
 40   0     0.8992     1.0000     0.1008     0.9768     0.9230     0.0538
 41   0     0.8975     1.0000     0.1025     0.9777     0.9264     0.0513
 42   0     0.8867     1.0000     0.1133     0.9709     0.9174     0.0535
 43   0     0.8931     1.0000     0.1069     0.9751     0.9235     0.0516
 44   0     0.8871     1.0000     0.1129     0.9760     0.9237     0.0523
 45   0     6.2579     6.0000    -0.2579     3.9744     3.6543     0.3201
 46   0     6.2022     6.0000    -0.2022     3.9185     3.6027     0.3158
 47   0     6.2177     6.0000    -0.2177     4.0010     3.6805     0.3205
 48   0     6.2387     6.0000    -0.2387     4.0094     3.6899     0.3195
 49   0     6.1843     6.0000    -0.1843     3.9671     3.6547     0.3124
 50   0     0.8717     1.0000     0.1283     0.9716     0.9217     0.0499
 51   0     0.9003     1.0000     0.0997     0.9777     0.9265     0.0512
 52   0     0.8786     1.0000     0.1214     0.9742     0.9247     0.0495
 53   0     0.9219     1.0000     0.0781     0.9929     0.9384     0.0545
 54   0     0.8803     1.0000     0.1197     0.9811     0.9333     0.0478
 55   0     0.8888     1.0000     0.1112     0.9756     0.9236     0.0520
 56   0     0.8885     1.0000     0.1115     0.9763     0.9246     0.0517
 57   0     0.8843     1.0000     0.1157     0.9763     0.9252     0.0511
 58   0     0.8948     1.0000     0.1052     0.9771     0.9261     0.0510
 59   0     0.8892     1.0000     0.1108     0.9797     0.9296     0.0501
 60   0     6.2330     6.0000    -0.2330     4.0063     3.6856     0.3207
 61   0     6.1935     6.0000    -0.1935     4.0009     3.6814     0.3195
 62   0     6.1801     6.0000    -0.1801     3.9769     3.6648     0.3121
 63   0     6.3006     6.0000    -0.3006     3.9812     3.6529     0.3283
 64   0     6.2094     6.0000    -0.2094     3.9640     3.6444     0.3196
 65   0     0.8892     1.0000     0.1108     0.9741     0.9212     0.0529
 66   0     0.8825     1.0000     0.1175     0.9775     0.9262     0.0513
 67   0     0.8986     1.0000     0.1014     0.9810     0.9291     0.0519
 68   0     0.8838     1.0000     0.1162     0.9782     0.9267     0.0515
 69   0     0.8758     1.0000     0.1242     0.9768     0.9309     0.0459
 70   0     0.9056     1.0000     0.0944     0.9820     0.9311     0.0509
 71   0     0.8930     1.0000     0.1070     0.9750     0.9221     0.0529
 72   0     0.8787     1.0000     0.1213     0.9678     0.9163     0.0515
 73   0     0.8811     1.0000     0.1189     0.9729     0.9213     0.0516
 74   0     0.8866     1.0000     0.1134     0.9775     0.9254     0.0521
 75   0     6.2197     6.0000    -0.2197     3.9882     3.6803     0.3079
 76   0     6.2239     6.0000    -0.2239     4.0217     3.7071     0.3146
 77   0     6.1737     6.0000    -0.1737     3.9943     3.6809     0.3134
 78   0     6.2720     6.0000    -0.2720     3.9963     3.6743     0.3220
 79   0     6.1111     6.0000    -0.1111     3.8921     3.5738     0.3183
 80   0     0.8893     1.0000     0.1107     0.9808     0.9327     0.0481
 81   0     0.8873     1.0000     0.1127     0.9731     0.9229     0.0502
 82   0     0.8938     1.0000     0.1062     0.9822     0.9308     0.0514
 83   0     0.8870     1.0000     0.1130     0.9761     0.9244     0.0517
 84   0     0.8824     1.0000     0.1176     0.9796     0.9311     0.0485
 85   0     0.8954     1.0000     0.1046     0.9849     0.9349     0.0500
 86   0     0.8844     1.0000     0.1156     0.9819     0.9343     0.0476
 87   0     0.8900     1.0000     0.1100     0.9773     0.9262     0.0511
 88   0     0.9029     1.0000     0.0971     0.9857     0.9325     0.0532
 89   0     1.0014     1.0000    -0.0014     1.0597     1.0003     0.0594
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.928801
                0             6               4            6                0.897160
                0             6               5            1                0.917524
                0             6               6            1                0.934337
                1             6               2            6                0.905919
                1             6               7            1                0.935504
                1             6               8            1                0.930529
                2             6               3            6                0.932494
                2             6               9            1                0.932774
                2             6              10            1                0.938914
                3             6               4            6                0.917281
                3             6              11            1                0.943580
                3             6              12            1                0.934944
                4             6              13            1                0.928907
                4             6              14            1                0.929260
               15             6              16            6                0.909629
               15             6              19            6                0.908001
               15             6              20            1                0.938542
               15             6              21            1                0.943660
               16             6              17            6                0.902770
               16             6              22            1                0.943021
               16             6              23            1                0.943744
               17             6              18            6                0.921769
               17             6              24            1                0.947935
               17             6              25            1                0.934243
               18             6              19            6                0.902629
               18             6              26            1                0.934386
               18             6              27            1                0.933428
               19             6              28            1                0.950053
               19             6              29            1                0.935774
               30             6              31            6                0.921958
               30             6              34            6                0.910160
               30             6              35            1                0.944191
               30             6              36            1                0.935077
               31             6              32            6                0.934750
               31             6              37            1                0.940347
               31             6              38            1                0.934465
               32             6              33            6                0.913055
               32             6              39            1                0.934786
               32             6              40            1                0.929050
               33             6              34            6                0.934883
               33             6              41            1                0.943215
               33             6              42            1                0.927585
               34             6              43            1                0.939922
               34             6              44            1                0.934523
               45             6              46            6                0.892376
               45             6              49            6                0.905687
               45             6              50            1                0.935967
               45             6              51            1                0.945858
               46             6              47            6                0.896646
               46             6              52            1                0.942491
               46             6              53            1                0.945337
               47             6              48            6                0.918806
               47             6              54            1                0.945886
               47             6              55            1                0.935180
               48             6              49            6                0.925722
               48             6              56            1                0.942089
               48             6              57            1                0.936062
               49             6              58            1                0.948076
               49             6              59            1                0.935918
               60             6              61            6                0.935201
               60             6              64            6                0.909997
               60             6              65            1                0.934709
               60             6              66            1                0.934481
               61             6              62            6                0.926955
               61             6              67            1                0.930403
               61             6              68            1                0.928931
               62             6              63            6                0.893497
               62             6              69            1                0.940864
               62             6              70            1                0.945887
               63             6              64            6                0.913468
               63             6              71            1                0.933852
               63             6              72            1                0.938794
               64             6              73            1                0.928155
               64             6              74            1                0.943028
               75             6              76            6                0.926414
               75             6              79            6                0.887906
               75             6              80            1                0.951250
               75             6              81            1                0.939578
               76             6              77            6                0.940902
               76             6              82            1                0.934740
               76             6              83            1                0.934183
               77             6              78            6                0.909498
               77             6              84            1                0.934272
               77             6              85            1                0.940263
               78             6              79            6                0.888696
               78             6              86            1                0.943665
               78             6              87            1                0.944659
               79             6              88            1                0.929662
               79             6              89            1                0.947585
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1932749338
        Correlation Energy:       -5.0795151443
        Total MP2 Energy:      -1176.2727900781
# -----------------------------------------------------------
$ 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) :        0.1723619293
        Electronic Contribution:
                  0    
      0      -0.813988
      1       0.147679
      2      -0.412420
        Nuclear Contribution:
                  0    
      0       0.747105
      1      -0.144601
      2       0.401670
        Total Dipole moment:
                  0    
      0      -0.066883
      1       0.003078
      2      -0.010750
# -----------------------------------------------------------
$ 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) :        0.1720860256
        Electronic Contribution:
                  0    
      0      -0.814053
      1       0.147961
      2      -0.411175
        Nuclear Contribution:
                  0    
      0       0.747105
      1      -0.144601
      2       0.401670
        Total Dipole moment:
                  0    
      0      -0.066948
      1       0.003360
      2      -0.009505
# -----------------------------------------------------------
$ 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) :        0.1506972484
        Electronic Contribution:
                  0    
      0      -0.802777
      1       0.157353
      2      -0.385760
        Nuclear Contribution:
                  0    
      0       0.747105
      1      -0.144601
      2       0.401670
        Total Dipole moment:
                  0    
      0      -0.055671
      1       0.012752
      2       0.015910
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     15.020000000000   21.000000000000   23.920000000000
               1 C     15.880000000000   19.710000000000   23.970000000000
               2 C     15.830000000000   19.030000000000   22.640000000000
               3 C     14.990000000000   19.840000000000   21.710000000000
               4 C     14.770000000000   21.220000000000   22.390000000000
               5 H     15.690000000000   21.770000000000   24.440000000000
               6 H     14.080000000000   20.850000000000   24.480000000000
               7 H     15.350000000000   19.080000000000   24.680000000000
               8 H     16.970000000000   19.890000000000   24.200000000000
               9 H     15.340000000000   18.040000000000   22.840000000000
              10 H     16.780000000000   18.830000000000   22.190000000000
              11 H     13.990000000000   19.490000000000   21.600000000000
              12 H     15.610000000000   20.050000000000   20.850000000000
              13 H     13.740000000000   21.700000000000   22.260000000000
              14 H     15.540000000000   21.920000000000   21.920000000000
              15 C     19.640000000000   18.040000000000   21.670000000000
              16 C     20.040000000000   19.340000000000   22.400000000000
              17 C     19.840000000000   19.020000000000   23.900000000000
              18 C     19.000000000000   17.770000000000   24.000000000000
              19 C     19.090000000000   17.060000000000   22.710000000000
              20 H     20.560000000000   17.710000000000   21.250000000000
              21 H     18.920000000000   18.200000000000   20.900000000000
              22 H     19.410000000000   20.170000000000   22.140000000000
              23 H     21.040000000000   19.610000000000   22.230000000000
              24 H     19.290000000000   19.790000000000   24.340000000000
              25 H     20.810000000000   19.000000000000   24.370000000000
              26 H     17.970000000000   17.950000000000   24.350000000000
              27 H     19.550000000000   17.060000000000   24.610000000000
              28 H     18.130000000000   16.860000000000   22.370000000000
              29 H     19.650000000000   16.130000000000   22.820000000000
              30 C     19.170000000000   25.180000000000   21.330000000000
              31 C     17.800000000000   25.420000000000   22.040000000000
              32 C     17.240000000000   24.130000000000   22.410000000000
              33 C     18.090000000000   23.060000000000   21.790000000000
              34 C     19.170000000000   23.680000000000   21.000000000000
              35 H     19.950000000000   25.280000000000   22.040000000000
              36 H     19.370000000000   25.800000000000   20.450000000000
              37 H     17.160000000000   25.860000000000   21.280000000000
              38 H     17.910000000000   26.150000000000   22.880000000000
              39 H     16.170000000000   24.020000000000   22.160000000000
              40 H     17.260000000000   24.090000000000   23.530000000000
              41 H     17.530000000000   22.430000000000   21.110000000000
              42 H     18.420000000000   22.330000000000   22.590000000000
              43 H     19.040000000000   23.590000000000   19.910000000000
              44 H     20.200000000000   23.300000000000   21.210000000000
              45 C     15.130000000000   21.970000000000   27.110000000000
              46 C     14.610000000000   20.590000000000   27.420000000000
              47 C     14.250000000000   20.400000000000   28.930000000000
              48 C     14.450000000000   21.880000000000   29.550000000000
              49 C     15.000000000000   22.760000000000   28.450000000000
              50 H     14.610000000000   22.400000000000   26.240000000000
              51 H     16.200000000000   21.880000000000   26.970000000000
              52 H     15.250000000000   19.810000000000   27.070000000000
              53 H     13.730000000000   20.530000000000   26.780000000000
              54 H     14.810000000000   19.610000000000   29.330000000000
              55 H     13.200000000000   20.070000000000   29.080000000000
              56 H     15.160000000000   21.880000000000   30.390000000000
              57 H     13.540000000000   22.300000000000   30.000000000000
              58 H     16.020000000000   23.000000000000   28.740000000000
              59 H     14.440000000000   23.670000000000   28.280000000000
              60 C     12.440000000000   26.000000000000   22.940000000000
              61 C     10.950000000000   25.780000000000   22.590000000000
              62 C     10.690000000000   24.260000000000   22.870000000000
              63 C     12.070000000000   23.570000000000   22.750000000000
              64 C     13.150000000000   24.650000000000   22.660000000000
              65 H     12.690000000000   26.220000000000   24.010000000000
              66 H     12.810000000000   26.890000000000   22.400000000000
              67 H     10.820000000000   25.940000000000   21.500000000000
              68 H     10.240000000000   26.380000000000   23.210000000000
              69 H      9.890000000000   23.900000000000   22.320000000000
              70 H     10.520000000000   24.180000000000   23.920000000000
              71 H     12.020000000000   22.960000000000   21.830000000000
              72 H     12.260000000000   22.830000000000   23.550000000000
              73 H     13.680000000000   24.550000000000   21.680000000000
              74 H     13.870000000000   24.550000000000   23.500000000000
              75 C     11.940000000000   17.380000000000   24.030000000000
              76 C     10.760000000000   17.110000000000   23.150000000000
              77 C      9.990000000000   18.440000000000   22.910000000000
              78 C     11.050000000000   19.560000000000   23.160000000000
              79 C     12.260000000000   18.870000000000   23.910000000000
              80 H     12.730000000000   16.770000000000   23.740000000000
              81 H     11.810000000000   17.150000000000   25.080000000000
              82 H     10.080000000000   16.400000000000   23.640000000000
              83 H     11.220000000000   16.640000000000   22.250000000000
              84 H      9.170000000000   18.650000000000   23.570000000000
              85 H      9.770000000000   18.510000000000   21.860000000000
              86 H     10.630000000000   20.330000000000   23.720000000000
              87 H     11.420000000000   19.910000000000   22.200000000000
              88 H     12.380000000000   19.340000000000   24.920000000000
              89 H     13.150000000000   19.060000000000   23.340000000000
