-------------------------------------------------------------
----------------------- !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:    -1171.2036823887
# -----------------------------------------------------------
$ 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     6.1648     6.0000    -0.1648     3.9064     3.9064     0.0000
  1   0     6.1702     6.0000    -0.1702     3.8756     3.8756     0.0000
  2   0     6.1631     6.0000    -0.1631     3.8875     3.8875    -0.0000
  3   0     6.1662     6.0000    -0.1662     3.8785     3.8785    -0.0000
  4   0     6.1561     6.0000    -0.1561     3.8830     3.8830     0.0000
  5   0     0.9138     1.0000     0.0862     0.9771     0.9771     0.0000
  6   0     0.9199     1.0000     0.0801     0.9734     0.9734     0.0000
  7   0     0.9157     1.0000     0.0843     0.9694     0.9694     0.0000
  8   0     0.9128     1.0000     0.0872     0.9770     0.9770     0.0000
  9   0     0.9190     1.0000     0.0810     0.9719     0.9719    -0.0000
 10   0     0.9168     1.0000     0.0832     0.9748     0.9748    -0.0000
 11   0     0.9241     1.0000     0.0759     0.9700     0.9700    -0.0000
 12   0     0.9125     1.0000     0.0875     0.9850     0.9850     0.0000
 13   0     0.9147     1.0000     0.0853     0.9720     0.9720     0.0000
 14   0     0.9209     1.0000     0.0791     0.9767     0.9767     0.0000
 15   0     6.1849     6.0000    -0.1849     3.9407     3.9407    -0.0000
 16   0     6.1186     6.0000    -0.1186     3.8944     3.8944    -0.0000
 17   0     6.1782     6.0000    -0.1782     3.8845     3.8845    -0.0000
 18   0     6.2190     6.0000    -0.2190     3.8608     3.8608    -0.0000
 19   0     6.1375     6.0000    -0.1375     3.8287     3.8287    -0.0000
 20   0     0.9204     1.0000     0.0796     0.9872     0.9872    -0.0000
 21   0     0.9102     1.0000     0.0898     0.9728     0.9728    -0.0000
 22   0     0.9194     1.0000     0.0806     0.9863     0.9863    -0.0000
 23   0     0.9076     1.0000     0.0924     0.9770     0.9770    -0.0000
 24   0     0.9225     1.0000     0.0775     0.9731     0.9731     0.0000
 25   0     0.9115     1.0000     0.0885     0.9715     0.9715     0.0000
 26   0     0.9142     1.0000     0.0858     0.9640     0.9640    -0.0000
 27   0     0.9161     1.0000     0.0839     0.9789     0.9789    -0.0000
 28   0     0.9338     1.0000     0.0662     0.9841     0.9841    -0.0000
 29   0     0.8938     1.0000     0.1062     0.9632     0.9632    -0.0000
 30   0     6.1714     6.0000    -0.1714     3.9320     3.9320    -0.0000
 31   0     6.1599     6.0000    -0.1599     3.8935     3.8935     0.0000
 32   0     6.1832     6.0000    -0.1832     3.9149     3.9149     0.0000
 33   0     6.1501     6.0000    -0.1501     3.8424     3.8424     0.0000
 34   0     6.1210     6.0000    -0.1210     3.8966     3.8966     0.0000
 35   0     0.9131     1.0000     0.0869     0.9760     0.9760     0.0000
 36   0     0.9191     1.0000     0.0809     0.9774     0.9774    -0.0000
 37   0     0.9214     1.0000     0.0786     0.9758     0.9758     0.0000
 38   0     0.9131     1.0000     0.0869     0.9759     0.9759    -0.0000
 39   0     0.9156     1.0000     0.0844     0.9753     0.9753     0.0000
 40   0     0.9129     1.0000     0.0871     0.9793     0.9793     0.0000
 41   0     0.9261     1.0000     0.0739     0.9753     0.9753     0.0000
 42   0     0.9306     1.0000     0.0694     0.9833     0.9833     0.0000
 43   0     0.9144     1.0000     0.0856     0.9779     0.9779     0.0000
 44   0     0.9440     1.0000     0.0560     0.9824     0.9824     0.0000
 45   0     6.0202     6.0000    -0.0202     3.8599     3.8599     0.0000
 46   0     6.1865     6.0000    -0.1865     3.9470     3.9470     0.0000
 47   0     6.1480     6.0000    -0.1480     3.9153     3.9153     0.0000
 48   0     6.1800     6.0000    -0.1800     3.9445     3.9445     0.0000
 49   0     6.1087     6.0000    -0.1087     3.9522     3.9522     0.0000
 50   0     0.9730     1.0000     0.0270     1.0091     1.0091     0.0000
 51   0     0.9772     1.0000     0.0228     1.0137     1.0137    -0.0000
 52   0     0.9241     1.0000     0.0759     0.9829     0.9829     0.0000
 53   0     0.9258     1.0000     0.0742     0.9805     0.9805     0.0000
 54   0     0.9251     1.0000     0.0749     0.9690     0.9690     0.0000
 55   0     0.9155     1.0000     0.0845     0.9766     0.9766     0.0000
 56   0     0.9514     1.0000     0.0486     0.9969     0.9969     0.0000
 57   0     0.9199     1.0000     0.0801     0.9752     0.9752     0.0000
 58   0     0.9605     1.0000     0.0395     1.0056     1.0056    -0.0000
 59   0     0.9161     1.0000     0.0839     0.9712     0.9712     0.0000
 60   0     6.1603     6.0000    -0.1603     3.9220     3.9220    -0.0000
 61   0     6.0984     6.0000    -0.0984     3.9014     3.9014     0.0000
 62   0     6.1902     6.0000    -0.1902     3.8828     3.8828     0.0000
 63   0     6.1776     6.0000    -0.1776     3.8852     3.8852     0.0000
 64   0     6.1342     6.0000    -0.1342     3.8826     3.8826    -0.0000
 65   0     0.9341     1.0000     0.0659     0.9805     0.9805     0.0000
 66   0     0.9175     1.0000     0.0825     0.9705     0.9705     0.0000
 67   0     0.9297     1.0000     0.0703     0.9836     0.9836     0.0000
 68   0     0.9240     1.0000     0.0760     0.9767     0.9767     0.0000
 69   0     0.9266     1.0000     0.0734     0.9719     0.9719     0.0000
 70   0     0.9208     1.0000     0.0792     0.9750     0.9750     0.0000
 71   0     0.8993     1.0000     0.1007     0.9700     0.9700     0.0000
 72   0     0.9359     1.0000     0.0641     0.9822     0.9822     0.0000
 73   0     0.9162     1.0000     0.0838     0.9803     0.9803    -0.0000
 74   0     0.9353     1.0000     0.0647     0.9809     0.9809    -0.0000
 75   0     6.2084     6.0000    -0.2084     3.8914     3.8914     0.0000
 76   0     6.1342     6.0000    -0.1342     3.8586     3.8586     0.0000
 77   0     6.1681     6.0000    -0.1681     3.9060     3.9060     0.0000
 78   0     6.1801     6.0000    -0.1801     3.8691     3.8691     0.0000
 79   0     6.1794     6.0000    -0.1794     3.8648     3.8648     0.0000
 80   0     0.9087     1.0000     0.0913     0.9747     0.9747     0.0000
 81   0     0.9123     1.0000     0.0877     0.9718     0.9718     0.0000
 82   0     0.9180     1.0000     0.0820     0.9774     0.9774     0.0000
 83   0     0.9232     1.0000     0.0768     0.9799     0.9799     0.0000
 84   0     0.9085     1.0000     0.0915     0.9719     0.9719     0.0000
 85   0     0.9273     1.0000     0.0727     0.9839     0.9839     0.0000
 86   0     0.9022     1.0000     0.0978     0.9736     0.9736     0.0000
 87   0     0.9054     1.0000     0.0946     0.9705     0.9705     0.0000
 88   0     0.9060     1.0000     0.0940     0.9744     0.9744     0.0000
 89   0     0.9121     1.0000     0.0879     0.9727     0.9727     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                0.973081
                0             6               4            6                0.964223
                0             6               5            1                0.989180
                0             6               6            1                0.993188
                1             6               2            6                0.964994
                1             6               7            1                0.992354
                1             6               8            1                0.984858
                2             6               3            6                0.962364
                2             6               9            1                0.997932
                2             6              10            1                0.986361
                3             6               4            6                0.959845
                3             6              11            1                0.996551
                3             6              12            1                0.989638
                4             6              13            1                0.996509
                4             6              14            1                0.990507
               15             6              16            6                0.989186
               15             6              19            6                0.962055
               15             6              20            1                1.000176
               15             6              21            1                0.989849
               16             6              17            6                0.975227
               16             6              22            1                0.999843
               16             6              23            1                0.983962
               17             6              18            6                0.950098
               17             6              24            1                1.001998
               17             6              25            1                0.991433
               18             6              19            6                0.940139
               18             6              26            1                1.008329
               18             6              27            1                0.991772
               19             6              28            1                1.007914
               19             6              29            1                0.975339
               30             6              31            6                0.975554
               30             6              34            6                0.990157
               30             6              35            1                0.989260
               30             6              36            1                0.996256
               31             6              32            6                0.977248
               31             6              37            1                0.998404
               31             6              38            1                0.993193
               32             6              33            6                0.964508
               32             6              39            1                0.996091
               32             6              40            1                0.988383
               33             6              34            6                0.950169
               33             6              41            1                0.988926
               33             6              42            1                0.994071
               34             6              43            1                0.993535
               34             6              44            1                0.994201
               45             6              46            6                0.958138
               45             6              49            6                0.985117
               45             6              50            1                0.993526
               45             6              51            1                0.998981
               46             6              47            6                0.982546
               46             6              52            1                0.996362
               46             6              53            1                1.004520
               47             6              48            6                0.972343
               47             6              54            1                0.986344
               47             6              55            1                0.995990
               48             6              49            6                0.987011
               48             6              56            1                0.998417
               48             6              57            1                0.989432
               49             6              58            1                0.996783
               49             6              59            1                1.005264
               60             6              61            6                0.982160
               60             6              64            6                0.970808
               60             6              65            1                0.998328
               60             6              66            1                0.989002
               61             6              62            6                0.967168
               61             6              67            1                0.995904
               61             6              68            1                0.989606
               62             6              63            6                0.961874
               62             6              69            1                0.993220
               62             6              70            1                0.994970
               63             6              64            6                0.965746
               63             6              71            1                0.980285
               63             6              72            1                1.000582
               64             6              73            1                0.989656
               64             6              74            1                0.993469
               75             6              76            6                0.963787
               75             6              79            6                0.966977
               75             6              80            1                0.991039
               75             6              81            1                0.991183
               76             6              77            6                0.965257
               76             6              82            1                0.992780
               76             6              83            1                0.987934
               77             6              78            6                0.966579
               77             6              84            1                0.984807
               77             6              85            1                0.995425
               78             6              79            6                0.960582
               78             6              86            1                0.985479
               78             6              87            1                0.993182
               79             6              88            1                0.988442
               79             6              89            1                0.987806
# -----------------------------------------------------------
$ 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     6.1727     6.0000    -0.1727     4.0145     3.6983     0.3162
  1   0     6.1789     6.0000    -0.1789     3.9883     3.6625     0.3258
  2   0     6.1714     6.0000    -0.1714     3.9966     3.6786     0.3180
  3   0     6.1737     6.0000    -0.1737     3.9884     3.6668     0.3216
  4   0     6.1647     6.0000    -0.1647     3.9931     3.6767     0.3164
  5   0     0.9099     1.0000     0.0901     0.9862     0.9367     0.0495
  6   0     0.9158     1.0000     0.0842     0.9827     0.9315     0.0512
  7   0     0.9114     1.0000     0.0886     0.9786     0.9264     0.0522
  8   0     0.9088     1.0000     0.0912     0.9862     0.9334     0.0528
  9   0     0.9148     1.0000     0.0852     0.9811     0.9292     0.0519
 10   0     0.9129     1.0000     0.0871     0.9841     0.9337     0.0504
 11   0     0.9199     1.0000     0.0801     0.9796     0.9244     0.0552
 12   0     0.9087     1.0000     0.0913     0.9942     0.9428     0.0514
 13   0     0.9104     1.0000     0.0896     0.9808     0.9321     0.0487
 14   0     0.9171     1.0000     0.0829     0.9862     0.9329     0.0533
 15   0     6.1922     6.0000    -0.1922     4.0490     3.7321     0.3169
 16   0     6.1258     6.0000    -0.1258     3.9998     3.6811     0.3187
 17   0     6.1865     6.0000    -0.1865     3.9963     3.6728     0.3235
 18   0     6.2281     6.0000    -0.2281     3.9797     3.6486     0.3311
 19   0     6.1451     6.0000    -0.1451     3.9410     3.6186     0.3224
 20   0     0.9167     1.0000     0.0833     0.9967     0.9465     0.0502
 21   0     0.9063     1.0000     0.0937     0.9816     0.9331     0.0485
 22   0     0.9156     1.0000     0.0844     0.9956     0.9469     0.0487
 23   0     0.9039     1.0000     0.0961     0.9862     0.9336     0.0526
 24   0     0.9186     1.0000     0.0814     0.9826     0.9284     0.0542
 25   0     0.9077     1.0000     0.0923     0.9807     0.9281     0.0526
 26   0     0.9101     1.0000     0.0899     0.9732     0.9181     0.0551
 27   0     0.9121     1.0000     0.0879     0.9881     0.9354     0.0527
 28   0     0.9296     1.0000     0.0704     0.9935     0.9427     0.0508
 29   0     0.8897     1.0000     0.1103     0.9718     0.9196     0.0522
 30   0     6.1788     6.0000    -0.1788     4.0385     3.7245     0.3140
 31   0     6.1676     6.0000    -0.1676     4.0022     3.6847     0.3175
 32   0     6.1905     6.0000    -0.1905     4.0236     3.7020     0.3216
 33   0     6.1578     6.0000    -0.1578     3.9552     3.6238     0.3314
 34   0     6.1292     6.0000    -0.1292     4.0036     3.6834     0.3202
 35   0     0.9094     1.0000     0.0906     0.9851     0.9347     0.0504
 36   0     0.9153     1.0000     0.0847     0.9867     0.9358     0.0509
 37   0     0.9176     1.0000     0.0824     0.9855     0.9333     0.0522
 38   0     0.9094     1.0000     0.0906     0.9852     0.9346     0.0506
 39   0     0.9117     1.0000     0.0883     0.9845     0.9321     0.0524
 40   0     0.9091     1.0000     0.0909     0.9885     0.9364     0.0521
 41   0     0.9218     1.0000     0.0782     0.9849     0.9303     0.0546
 42   0     0.9268     1.0000     0.0732     0.9936     0.9400     0.0536
 43   0     0.9104     1.0000     0.0896     0.9870     0.9385     0.0485
 44   0     0.9404     1.0000     0.0596     0.9933     0.9378     0.0555
 45   0     6.0281     6.0000    -0.0281     3.9613     3.6372     0.3241
 46   0     6.1942     6.0000    -0.1942     4.0573     3.7318     0.3255
 47   0     6.1551     6.0000    -0.1551     4.0230     3.7044     0.3186
 48   0     6.1880     6.0000    -0.1880     4.0566     3.7236     0.3330
 49   0     6.1177     6.0000    -0.1177     4.0596     3.7333     0.3263
 50   0     0.9692     1.0000     0.0308     1.0206     0.9638     0.0568
 51   0     0.9740     1.0000     0.0260     1.0267     0.9687     0.0580
 52   0     0.9202     1.0000     0.0798     0.9926     0.9417     0.0509
 53   0     0.9220     1.0000     0.0780     0.9904     0.9359     0.0545
 54   0     0.9208     1.0000     0.0792     0.9787     0.9286     0.0501
 55   0     0.9115     1.0000     0.0885     0.9862     0.9350     0.0512
 56   0     0.9471     1.0000     0.0529     1.0071     0.9529     0.0542
 57   0     0.9158     1.0000     0.0842     0.9845     0.9314     0.0531
 58   0     0.9558     1.0000     0.0442     1.0157     0.9630     0.0527
 59   0     0.9118     1.0000     0.0882     0.9801     0.9275     0.0526
 60   0     6.1687     6.0000    -0.1687     4.0289     3.7170     0.3119
 61   0     6.1058     6.0000    -0.1058     4.0026     3.7015     0.3011
 62   0     6.1985     6.0000    -0.1985     3.9940     3.6737     0.3203
 63   0     6.1851     6.0000    -0.1851     3.9962     3.6657     0.3305
 64   0     6.1409     6.0000    -0.1409     3.9876     3.6741     0.3135
 65   0     0.9300     1.0000     0.0700     0.9900     0.9392     0.0508
 66   0     0.9137     1.0000     0.0863     0.9801     0.9262     0.0539
 67   0     0.9256     1.0000     0.0744     0.9930     0.9444     0.0486
 68   0     0.9202     1.0000     0.0798     0.9864     0.9367     0.0497
 69   0     0.9226     1.0000     0.0774     0.9817     0.9284     0.0533
 70   0     0.9169     1.0000     0.0831     0.9844     0.9334     0.0510
 71   0     0.8955     1.0000     0.1045     0.9788     0.9261     0.0527
 72   0     0.9322     1.0000     0.0678     0.9925     0.9375     0.0550
 73   0     0.9121     1.0000     0.0879     0.9896     0.9385     0.0511
 74   0     0.9326     1.0000     0.0674     0.9930     0.9403     0.0527
 75   0     6.2162     6.0000    -0.2162     4.0043     3.6762     0.3281
 76   0     6.1417     6.0000    -0.1417     3.9684     3.6446     0.3238
 77   0     6.1757     6.0000    -0.1757     4.0166     3.6884     0.3282
 78   0     6.1885     6.0000    -0.1885     3.9837     3.6520     0.3317
 79   0     6.1869     6.0000    -0.1869     3.9771     3.6470     0.3301
 80   0     0.9049     1.0000     0.0951     0.9839     0.9319     0.0520
 81   0     0.9085     1.0000     0.0915     0.9811     0.9266     0.0545
 82   0     0.9137     1.0000     0.0863     0.9866     0.9345     0.0521
 83   0     0.9194     1.0000     0.0806     0.9899     0.9367     0.0532
 84   0     0.9044     1.0000     0.0956     0.9811     0.9291     0.0520
 85   0     0.9235     1.0000     0.0765     0.9938     0.9423     0.0515
 86   0     0.8980     1.0000     0.1020     0.9822     0.9319     0.0503
 87   0     0.9015     1.0000     0.0985     0.9797     0.9279     0.0518
 88   0     0.9021     1.0000     0.0979     0.9835     0.9320     0.0515
 89   0     0.9083     1.0000     0.0917     0.9821     0.9269     0.0552
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.909292
                0             6               4            6                0.903583
                0             6               5            1                0.950108
                0             6               6            1                0.952454
                1             6               2            6                0.902771
                1             6               7            1                0.950290
                1             6               8            1                0.942744
                2             6               3            6                0.900424
                2             6               9            1                0.956222
                2             6              10            1                0.946739
                3             6               4            6                0.898877
                3             6              11            1                0.951793
                3             6              12            1                0.949056
                4             6              13            1                0.957716
                4             6              14            1                0.948100
               15             6              16            6                0.922321
               15             6              19            6                0.901791
               15             6              20            1                0.960916
               15             6              21            1                0.951397
               16             6              17            6                0.911896
               16             6              22            1                0.961517
               16             6              23            1                0.941937
               17             6              18            6                0.890477
               17             6              24            1                0.958210
               17             6              25            1                0.949488
               18             6              19            6                0.877609
               18             6              26            1                0.963052
               18             6              27            1                0.949692
               19             6              28            1                0.966727
               19             6              29            1                0.932869
               30             6              31            6                0.914560
               30             6              34            6                0.927592
               30             6              35            1                0.949405
               30             6              36            1                0.955962
               31             6              32            6                0.913717
               31             6              37            1                0.956834
               31             6              38            1                0.953186
               32             6              33            6                0.902207
               32             6              39            1                0.954274
               32             6              40            1                0.946954
               33             6              34            6                0.884215
               33             6              41            1                0.945000
               33             6              42            1                0.951081
               34             6              43            1                0.955308
               34             6              44            1                0.950816
               45             6              46            6                0.892174
               45             6              49            6                0.918371
               45             6              50            1                0.949232
               45             6              51            1                0.955238
               46             6              47            6                0.921082
               46             6              52            1                0.955933
               46             6              53            1                0.960952
               47             6              48            6                0.906508
               47             6              54            1                0.946938
               47             6              55            1                0.955203
               48             6              49            6                0.921681
               48             6              56            1                0.955255
               48             6              57            1                0.946491
               49             6              58            1                0.955282
               49             6              59            1                0.962170
               60             6              61            6                0.922619
               60             6              64            6                0.912017
               60             6              65            1                0.958341
               60             6              66            1                0.946218
               61             6              62            6                0.907335
               61             6              67            1                0.957882
               61             6              68            1                0.950858
               62             6              63            6                0.897921
               62             6              69            1                0.950944
               62             6              70            1                0.954626
               63             6              64            6                0.899701
               63             6              71            1                0.938078
               63             6              72            1                0.956916
               64             6              73            1                0.949137
               64             6              74            1                0.954116
               75             6              76            6                0.901290
               75             6              79            6                0.903104
               75             6              80            1                0.949629
               75             6              81            1                0.947387
               76             6              77            6                0.900434
               76             6              82            1                0.951215
               76             6              83            1                0.946104
               77             6              78            6                0.900066
               77             6              84            1                0.943242
               77             6              85            1                0.955163
               78             6              79            6                0.895335
               78             6              86            1                0.945362
               78             6              87            1                0.951428
               79             6              88            1                0.947405
               79             6              89            1                0.943374
# -----------------------------------------------------------
$ 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     6.2219     6.0000    -0.2219     3.9825     3.6702     0.3123
  1   0     6.2322     6.0000    -0.2322     3.9637     3.6420     0.3217
  2   0     6.2243     6.0000    -0.2243     3.9695     3.6557     0.3138
  3   0     6.2214     6.0000    -0.2214     3.9585     3.6412     0.3173
  4   0     6.2232     6.0000    -0.2232     3.9688     3.6564     0.3124
  5   0     0.8829     1.0000     0.1171     0.9794     0.9311     0.0483
  6   0     0.8908     1.0000     0.1092     0.9764     0.9263     0.0501
  7   0     0.8888     1.0000     0.1112     0.9723     0.9211     0.0512
  8   0     0.8819     1.0000     0.1181     0.9803     0.9287     0.0516
  9   0     0.8892     1.0000     0.1108     0.9748     0.9240     0.0508
 10   0     0.8865     1.0000     0.1135     0.9795     0.9303     0.0492
 11   0     0.8945     1.0000     0.1055     0.9723     0.9182     0.0541
 12   0     0.8789     1.0000     0.1211     0.9878     0.9378     0.0500
 13   0     0.8849     1.0000     0.1151     0.9739     0.9263     0.0476
 14   0     0.8895     1.0000     0.1105     0.9807     0.9287     0.0520
 15   0     6.2375     6.0000    -0.2375     4.0318     3.7190     0.3128
 16   0     6.1769     6.0000    -0.1769     3.9874     3.6724     0.3150
 17   0     6.2319     6.0000    -0.2319     3.9799     3.6608     0.3191
 18   0     6.2812     6.0000    -0.2812     3.9707     3.6442     0.3265
 19   0     6.2111     6.0000    -0.2111     3.9430     3.6249     0.3181
 20   0     0.8912     1.0000     0.1088     0.9873     0.9382     0.0491
 21   0     0.8820     1.0000     0.1180     0.9751     0.9276     0.0475
 22   0     0.8922     1.0000     0.1078     0.9867     0.9389     0.0478
 23   0     0.8839     1.0000     0.1161     0.9799     0.9282     0.0517
 24   0     0.8913     1.0000     0.1087     0.9735     0.9204     0.0531
 25   0     0.8844     1.0000     0.1156     0.9734     0.9218     0.0516
 26   0     0.8825     1.0000     0.1175     0.9638     0.9099     0.0539
 27   0     0.8822     1.0000     0.1178     0.9759     0.9245     0.0514
 28   0     0.8953     1.0000     0.1047     0.9795     0.9302     0.0493
 29   0     0.8668     1.0000     0.1332     0.9661     0.9150     0.0511
 30   0     6.2234     6.0000    -0.2234     4.0179     3.7080     0.3099
 31   0     6.2226     6.0000    -0.2226     3.9896     3.6760     0.3136
 32   0     6.2289     6.0000    -0.2289     4.0044     3.6872     0.3172
 33   0     6.2131     6.0000    -0.2131     3.9511     3.6242     0.3269
 34   0     6.1907     6.0000    -0.1907     3.9872     3.6709     0.3163
 35   0     0.8861     1.0000     0.1139     0.9782     0.9288     0.0494
 36   0     0.8894     1.0000     0.1106     0.9771     0.9273     0.0498
 37   0     0.8912     1.0000     0.1088     0.9754     0.9243     0.0511
 38   0     0.8847     1.0000     0.1153     0.9769     0.9274     0.0495
 39   0     0.8891     1.0000     0.1109     0.9759     0.9245     0.0514
 40   0     0.8853     1.0000     0.1147     0.9803     0.9292     0.0511
 41   0     0.8956     1.0000     0.1044     0.9770     0.9236     0.0534
 42   0     0.8990     1.0000     0.1010     0.9846     0.9324     0.0522
 43   0     0.8855     1.0000     0.1145     0.9786     0.9311     0.0475
 44   0     0.9106     1.0000     0.0894     0.9858     0.9317     0.0541
 45   0     6.1007     6.0000    -0.1007     3.9310     3.6110     0.3200
 46   0     6.2424     6.0000    -0.2424     4.0263     3.7055     0.3208
 47   0     6.2044     6.0000    -0.2044     4.0044     3.6903     0.3141
 48   0     6.2318     6.0000    -0.2318     4.0277     3.6994     0.3283
 49   0     6.1803     6.0000    -0.1803     4.0188     3.6969     0.3219
 50   0     0.9327     1.0000     0.0673     1.0126     0.9574     0.0552
 51   0     0.9455     1.0000     0.0545     1.0317     0.9753     0.0564
 52   0     0.8939     1.0000     0.1061     0.9867     0.9371     0.0496
 53   0     0.8960     1.0000     0.1040     0.9862     0.9331     0.0531
 54   0     0.9011     1.0000     0.0989     0.9819     0.9331     0.0488
 55   0     0.8855     1.0000     0.1145     0.9779     0.9280     0.0499
 56   0     0.9163     1.0000     0.0837     1.0012     0.9484     0.0528
 57   0     0.8921     1.0000     0.1079     0.9781     0.9262     0.0519
 58   0     0.9203     1.0000     0.0797     1.0196     0.9686     0.0510
 59   0     0.8879     1.0000     0.1121     0.9740     0.9225     0.0515
 60   0     6.2140     6.0000    -0.2140     4.0029     3.6953     0.3076
 61   0     6.1659     6.0000    -0.1659     3.9761     3.6786     0.2975
 62   0     6.2468     6.0000    -0.2468     3.9727     3.6566     0.3161
 63   0     6.2281     6.0000    -0.2281     3.9738     3.6474     0.3264
 64   0     6.1969     6.0000    -0.1969     3.9791     3.6698     0.3093
 65   0     0.9021     1.0000     0.0979     0.9830     0.9334     0.0496
 66   0     0.8902     1.0000     0.1098     0.9742     0.9213     0.0529
 67   0     0.8990     1.0000     0.1010     0.9856     0.9381     0.0475
 68   0     0.8949     1.0000     0.1051     0.9820     0.9334     0.0486
 69   0     0.8963     1.0000     0.1037     0.9731     0.9209     0.0522
 70   0     0.8896     1.0000     0.1104     0.9778     0.9280     0.0498
 71   0     0.8757     1.0000     0.1243     0.9728     0.9210     0.0518
 72   0     0.9037     1.0000     0.0963     0.9853     0.9316     0.0537
 73   0     0.8897     1.0000     0.1103     0.9801     0.9300     0.0501
 74   0     0.9071     1.0000     0.0929     0.9963     0.9449     0.0514
 75   0     6.2539     6.0000    -0.2539     3.9841     3.6606     0.3235
 76   0     6.2017     6.0000    -0.2017     3.9563     3.6368     0.3195
 77   0     6.2210     6.0000    -0.2210     3.9906     3.6667     0.3239
 78   0     6.2428     6.0000    -0.2428     3.9749     3.6472     0.3277
 79   0     6.2280     6.0000    -0.2280     3.9615     3.6358     0.3257
 80   0     0.8811     1.0000     0.1189     0.9760     0.9251     0.0509
 81   0     0.8857     1.0000     0.1143     0.9732     0.9196     0.0536
 82   0     0.8893     1.0000     0.1107     0.9777     0.9267     0.0510
 83   0     0.8897     1.0000     0.1103     0.9848     0.9329     0.0519
 84   0     0.8832     1.0000     0.1168     0.9738     0.9227     0.0511
 85   0     0.8982     1.0000     0.1018     0.9907     0.9405     0.0502
 86   0     0.8783     1.0000     0.1217     0.9759     0.9266     0.0493
 87   0     0.8744     1.0000     0.1256     0.9734     0.9229     0.0505
 88   0     0.8808     1.0000     0.1192     0.9758     0.9253     0.0505
 89   0     0.8848     1.0000     0.1152     0.9753     0.9211     0.0542
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.910712
                0             6               4            6                0.906911
                0             6               5            1                0.939425
                0             6               6            1                0.941358
                1             6               2            6                0.904723
                1             6               7            1                0.939096
                1             6               8            1                0.930362
                2             6               3            6                0.904136
                2             6               9            1                0.945400
                2             6              10            1                0.936095
                3             6               4            6                0.903727
                3             6              11            1                0.938476
                3             6              12            1                0.936922
                4             6              13            1                0.947414
                4             6              14            1                0.933609
               15             6              16            6                0.925858
               15             6              19            6                0.912978
               15             6              20            1                0.946014
               15             6              21            1                0.943040
               16             6              17            6                0.924707
               16             6              22            1                0.949880
               16             6              23            1                0.928861
               17             6              18            6                0.900691
               17             6              24            1                0.942395
               17             6              25            1                0.932448
               18             6              19            6                0.888916
               18             6              26            1                0.946754
               18             6              27            1                0.932725
               19             6              28            1                0.951785
               19             6              29            1                0.920051
               30             6              31            6                0.924103
               30             6              34            6                0.933743
               30             6              35            1                0.937005
               30             6              36            1                0.941510
               31             6              32            6                0.922827
               31             6              37            1                0.942394
               31             6              38            1                0.940066
               32             6              33            6                0.913907
               32             6              39            1                0.938753
               32             6              40            1                0.934011
               33             6              34            6                0.894577
               33             6              41            1                0.933093
               33             6              42            1                0.931983
               34             6              43            1                0.945029
               34             6              44            1                0.934647
               45             6              46            6                0.896663
               45             6              49            6                0.916206
               45             6              50            1                0.937271
               45             6              51            1                0.940801
               46             6              47            6                0.927075
               46             6              52            1                0.942877
               46             6              53            1                0.942551
               47             6              48            6                0.913696
               47             6              54            1                0.935161
               47             6              55            1                0.941499
               48             6              49            6                0.921498
               48             6              56            1                0.938527
               48             6              57            1                0.931705
               49             6              58            1                0.944143
               49             6              59            1                0.941944
               60             6              61            6                0.926532
               60             6              64            6                0.924159
               60             6              65            1                0.947271
               60             6              66            1                0.930270
               61             6              62            6                0.912662
               61             6              67            1                0.947908
               61             6              68            1                0.940479
               62             6              63            6                0.906353
               62             6              69            1                0.937270
               62             6              70            1                0.943686
               63             6              64            6                0.905227
               63             6              71            1                0.925422
               63             6              72            1                0.944325
               64             6              73            1                0.931307
               64             6              74            1                0.948543
               75             6              76            6                0.912031
               75             6              79            6                0.911490
               75             6              80            1                0.935733
               75             6              81            1                0.932529
               76             6              77            6                0.905368
               76             6              82            1                0.936488
               76             6              83            1                0.935216
               77             6              78            6                0.904691
               77             6              84            1                0.930284
               77             6              85            1                0.943584
               78             6              79            6                0.903973
               78             6              86            1                0.932933
               78             6              87            1                0.940335
               79             6              88            1                0.934929
               79             6              89            1                0.930705
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2036823887
        Correlation Energy:       -5.0729271713
        Total MP2 Energy:      -1176.2766095600
# -----------------------------------------------------------
$ 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) :        0.2541866457
        Electronic Contribution:
                  0    
      0      -1.219215
      1      -0.242722
      2      -0.319071
        Nuclear Contribution:
                  0    
      0       1.148775
      1       0.192801
      2       0.369536
        Total Dipole moment:
                  0    
      0      -0.070440
      1      -0.049920
      2       0.050465
# -----------------------------------------------------------
$ 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) :        0.2544033477
        Electronic Contribution:
                  0    
      0      -1.218149
      1      -0.242995
      2      -0.317714
        Nuclear Contribution:
                  0    
      0       1.148775
      1       0.192801
      2       0.369536
        Total Dipole moment:
                  0    
      0      -0.069374
      1      -0.050193
      2       0.051822
# -----------------------------------------------------------
$ 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) :        0.2058062564
        Electronic Contribution:
                  0    
      0      -1.175407
      1      -0.232005
      2      -0.303887
        Nuclear Contribution:
                  0    
      0       1.148775
      1       0.192801
      2       0.369536
        Total Dipole moment:
                  0    
      0      -0.026632
      1      -0.039203
      2       0.065649
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     24.350000000000   21.210000000000   17.080000000000
               1 C     23.050000000000   21.410000000000   16.250000000000
               2 C     23.390000000000   21.180000000000   14.780000000000
               3 C     24.860000000000   20.800000000000   14.710000000000
               4 C     25.450000000000   20.840000000000   16.120000000000
               5 H     24.250000000000   20.460000000000   17.820000000000
               6 H     24.610000000000   22.160000000000   17.540000000000
               7 H     22.760000000000   22.470000000000   16.300000000000
               8 H     22.210000000000   20.800000000000   16.660000000000
               9 H     23.300000000000   22.150000000000   14.270000000000
              10 H     22.740000000000   20.450000000000   14.350000000000
              11 H     25.330000000000   21.650000000000   14.120000000000
              12 H     25.000000000000   19.910000000000   14.110000000000
              13 H     26.200000000000   21.570000000000   16.180000000000
              14 H     25.960000000000   19.900000000000   16.420000000000
              15 C     18.100000000000   15.960000000000   18.800000000000
              16 C     17.870000000000   16.850000000000   20.120000000000
              17 C     18.980000000000   17.920000000000   20.190000000000
              18 C     19.950000000000   17.570000000000   19.100000000000
              19 C     19.270000000000   16.600000000000   18.090000000000
              20 H     17.240000000000   15.970000000000   18.190000000000
              21 H     18.240000000000   14.960000000000   19.080000000000
              22 H     18.070000000000   16.270000000000   20.950000000000
              23 H     16.880000000000   17.380000000000   20.130000000000
              24 H     19.610000000000   17.890000000000   21.110000000000
              25 H     18.670000000000   18.990000000000   20.170000000000
              26 H     20.880000000000   17.100000000000   19.550000000000
              27 H     20.440000000000   18.450000000000   18.680000000000
              28 H     20.010000000000   15.880000000000   17.990000000000
              29 H     19.090000000000   17.000000000000   17.050000000000
              30 C     16.830000000000   14.170000000000   14.650000000000
              31 C     17.780000000000   13.170000000000   13.990000000000
              32 C     19.190000000000   13.770000000000   13.760000000000
              33 C     19.170000000000   15.100000000000   14.530000000000
              34 C     17.630000000000   15.460000000000   14.710000000000
              35 H     16.430000000000   13.920000000000   15.620000000000
              36 H     15.970000000000   14.450000000000   14.080000000000
              37 H     17.420000000000   12.880000000000   13.010000000000
              38 H     17.810000000000   12.240000000000   14.520000000000
              39 H     19.320000000000   13.920000000000   12.670000000000
              40 H     19.940000000000   13.040000000000   14.100000000000
              41 H     19.660000000000   15.910000000000   13.920000000000
              42 H     19.700000000000   15.020000000000   15.490000000000
              43 H     17.410000000000   16.170000000000   13.980000000000
              44 H     17.510000000000   15.910000000000   15.710000000000
              45 C     22.420000000000   15.540000000000   16.200000000000
              46 C     22.950000000000   15.800000000000   14.750000000000
              47 C     23.760000000000   17.070000000000   14.800000000000
              48 C     23.650000000000   17.720000000000   16.240000000000
              49 C     22.900000000000   16.670000000000   17.130000000000
              50 H     22.900000000000   14.620000000000   16.550000000000
              51 H     21.330000000000   15.540000000000   16.270000000000
              52 H     22.090000000000   15.860000000000   14.150000000000
              53 H     23.500000000000   14.910000000000   14.380000000000
              54 H     23.490000000000   17.770000000000   14.070000000000
              55 H     24.750000000000   16.700000000000   14.680000000000
              56 H     23.150000000000   18.690000000000   16.260000000000
              57 H     24.630000000000   17.990000000000   16.640000000000
              58 H     22.060000000000   17.080000000000   17.680000000000
              59 H     23.590000000000   16.140000000000   17.800000000000
              60 C     23.350000000000   17.600000000000   10.380000000000
              61 C     23.120000000000   16.140000000000   10.260000000000
              62 C     24.350000000000   15.440000000000   10.730000000000
              63 C     25.370000000000   16.490000000000   11.230000000000
              64 C     24.550000000000   17.860000000000   11.210000000000
              65 H     22.550000000000   18.060000000000   10.900000000000
              66 H     23.370000000000   18.000000000000    9.320000000000
              67 H     23.030000000000   15.910000000000    9.250000000000
              68 H     22.320000000000   15.820000000000   10.870000000000
              69 H     24.800000000000   14.870000000000    9.900000000000
              70 H     24.210000000000   14.690000000000   11.480000000000
              71 H     26.370000000000   16.410000000000   10.710000000000
              72 H     25.550000000000   16.190000000000   12.270000000000
              73 H     25.220000000000   18.620000000000   10.820000000000
              74 H     24.290000000000   18.190000000000   12.160000000000
              75 C     25.690000000000   13.350000000000   18.140000000000
              76 C     25.960000000000   14.050000000000   16.800000000000
              77 C     25.440000000000   13.140000000000   15.620000000000
              78 C     24.330000000000   12.210000000000   16.300000000000
              79 C     24.570000000000   12.290000000000   17.870000000000
              80 H     25.360000000000   14.020000000000   18.940000000000
              81 H     26.690000000000   12.930000000000   18.500000000000
              82 H     27.050000000000   14.120000000000   16.760000000000
              83 H     25.520000000000   15.050000000000   16.740000000000
              84 H     26.230000000000   12.500000000000   15.180000000000
              85 H     25.080000000000   13.740000000000   14.830000000000
              86 H     24.370000000000   11.180000000000   15.950000000000
              87 H     23.350000000000   12.610000000000   16.040000000000
              88 H     24.880000000000   11.320000000000   18.270000000000
              89 H     23.600000000000   12.600000000000   18.400000000000
