-------------------------------------------------------------
----------------------- !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:    -1171.1996554326
# -----------------------------------------------------------
$ 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     6.1337     6.0000    -0.1337     3.8971     3.8971     0.0000
  1   0     6.1374     6.0000    -0.1374     3.8593     3.8593    -0.0000
  2   0     6.2055     6.0000    -0.2055     3.8754     3.8754    -0.0000
  3   0     6.1258     6.0000    -0.1258     3.8919     3.8919    -0.0000
  4   0     6.2427     6.0000    -0.2427     3.8591     3.8591     0.0000
  5   0     0.9316     1.0000     0.0684     0.9828     0.9828     0.0000
  6   0     0.9029     1.0000     0.0971     0.9739     0.9739     0.0000
  7   0     0.9239     1.0000     0.0761     0.9762     0.9762     0.0000
  8   0     0.9152     1.0000     0.0848     0.9750     0.9750    -0.0000
  9   0     0.9194     1.0000     0.0806     0.9693     0.9693    -0.0000
 10   0     0.9056     1.0000     0.0944     0.9750     0.9750     0.0000
 11   0     0.9088     1.0000     0.0912     0.9799     0.9799     0.0000
 12   0     0.9085     1.0000     0.0915     0.9769     0.9769     0.0000
 13   0     0.9078     1.0000     0.0922     0.9732     0.9732     0.0000
 14   0     0.9210     1.0000     0.0790     0.9693     0.9693    -0.0000
 15   0     6.0758     6.0000    -0.0758     3.9095     3.9095     0.0000
 16   0     6.2070     6.0000    -0.2070     3.8968     3.8968    -0.0000
 17   0     6.1452     6.0000    -0.1452     3.8611     3.8611    -0.0000
 18   0     6.1639     6.0000    -0.1639     3.9488     3.9488    -0.0000
 19   0     6.0855     6.0000    -0.0855     3.9036     3.9036     0.0000
 20   0     0.9920     1.0000     0.0080     1.0163     1.0163     0.0000
 21   0     0.9167     1.0000     0.0833     0.9745     0.9745     0.0000
 22   0     0.9098     1.0000     0.0902     0.9719     0.9719     0.0000
 23   0     0.9261     1.0000     0.0739     0.9687     0.9687     0.0000
 24   0     0.9222     1.0000     0.0778     0.9824     0.9824    -0.0000
 25   0     0.9326     1.0000     0.0674     0.9895     0.9895    -0.0000
 26   0     0.9041     1.0000     0.0959     0.9747     0.9747     0.0000
 27   0     0.9639     1.0000     0.0361     0.9917     0.9917    -0.0000
 28   0     0.9272     1.0000     0.0728     0.9871     0.9871     0.0000
 29   0     0.9430     1.0000     0.0570     0.9876     0.9876     0.0000
 30   0     6.1997     6.0000    -0.1997     3.8927     3.8927    -0.0000
 31   0     6.1321     6.0000    -0.1321     3.8692     3.8692     0.0000
 32   0     6.1781     6.0000    -0.1781     3.9514     3.9514    -0.0000
 33   0     6.1402     6.0000    -0.1402     3.9148     3.9148    -0.0000
 34   0     6.1383     6.0000    -0.1383     3.8769     3.8769    -0.0000
 35   0     0.9200     1.0000     0.0800     0.9723     0.9723     0.0000
 36   0     0.9166     1.0000     0.0834     0.9623     0.9623    -0.0000
 37   0     0.9269     1.0000     0.0731     0.9813     0.9813     0.0000
 38   0     0.9097     1.0000     0.0903     0.9727     0.9727    -0.0000
 39   0     0.9177     1.0000     0.0823     0.9746     0.9746    -0.0000
 40   0     0.9115     1.0000     0.0885     0.9784     0.9784     0.0000
 41   0     0.9280     1.0000     0.0720     0.9795     0.9795    -0.0000
 42   0     0.9101     1.0000     0.0899     0.9740     0.9740    -0.0000
 43   0     0.9588     1.0000     0.0412     0.9925     0.9925    -0.0000
 44   0     0.9153     1.0000     0.0847     0.9756     0.9756    -0.0000
 45   0     6.1687     6.0000    -0.1687     3.9052     3.9052    -0.0000
 46   0     6.1433     6.0000    -0.1433     3.8686     3.8686     0.0000
 47   0     6.1774     6.0000    -0.1774     3.8922     3.8922     0.0000
 48   0     6.1414     6.0000    -0.1414     3.8918     3.8918     0.0000
 49   0     6.1653     6.0000    -0.1653     3.8838     3.8838     0.0000
 50   0     0.9183     1.0000     0.0817     0.9750     0.9750     0.0000
 51   0     0.9162     1.0000     0.0838     0.9798     0.9798     0.0000
 52   0     0.9062     1.0000     0.0938     0.9739     0.9739     0.0000
 53   0     0.9340     1.0000     0.0660     0.9785     0.9785    -0.0000
 54   0     0.9322     1.0000     0.0678     0.9735     0.9735    -0.0000
 55   0     0.9191     1.0000     0.0809     0.9772     0.9772    -0.0000
 56   0     0.9255     1.0000     0.0745     0.9840     0.9840     0.0000
 57   0     0.9146     1.0000     0.0854     0.9746     0.9746     0.0000
 58   0     0.9189     1.0000     0.0811     0.9787     0.9787    -0.0000
 59   0     0.9188     1.0000     0.0812     0.9755     0.9755     0.0000
 60   0     6.1067     6.0000    -0.1067     3.8184     3.8184    -0.0000
 61   0     6.1876     6.0000    -0.1876     3.9544     3.9544     0.0000
 62   0     6.1130     6.0000    -0.1130     3.9056     3.9056     0.0000
 63   0     6.1564     6.0000    -0.1564     3.8796     3.8796    -0.0000
 64   0     6.2506     6.0000    -0.2506     3.8630     3.8630    -0.0000
 65   0     0.9232     1.0000     0.0768     0.9743     0.9743     0.0000
 66   0     0.9178     1.0000     0.0822     0.9762     0.9762     0.0000
 67   0     0.9172     1.0000     0.0828     0.9740     0.9740     0.0000
 68   0     0.9150     1.0000     0.0850     0.9756     0.9756     0.0000
 69   0     0.9151     1.0000     0.0849     0.9762     0.9762     0.0000
 70   0     0.9219     1.0000     0.0781     0.9848     0.9848    -0.0000
 71   0     0.9288     1.0000     0.0712     0.9760     0.9760    -0.0000
 72   0     0.9053     1.0000     0.0947     0.9702     0.9702    -0.0000
 73   0     0.9243     1.0000     0.0757     0.9687     0.9687    -0.0000
 74   0     0.9138     1.0000     0.0862     0.9730     0.9730    -0.0000
 75   0     6.1870     6.0000    -0.1870     3.9094     3.9094     0.0000
 76   0     6.1767     6.0000    -0.1767     3.8878     3.8878     0.0000
 77   0     6.1730     6.0000    -0.1730     3.8851     3.8851     0.0000
 78   0     6.1834     6.0000    -0.1834     3.9337     3.9337    -0.0000
 79   0     6.0799     6.0000    -0.0799     3.8409     3.8409    -0.0000
 80   0     0.9085     1.0000     0.0915     0.9716     0.9716     0.0000
 81   0     0.9200     1.0000     0.0800     0.9744     0.9744    -0.0000
 82   0     0.8982     1.0000     0.1018     0.9700     0.9700    -0.0000
 83   0     0.9239     1.0000     0.0761     0.9787     0.9787     0.0000
 84   0     0.9167     1.0000     0.0833     0.9781     0.9781     0.0000
 85   0     0.9189     1.0000     0.0811     0.9733     0.9733    -0.0000
 86   0     0.9159     1.0000     0.0841     0.9724     0.9724    -0.0000
 87   0     0.9158     1.0000     0.0842     0.9771     0.9771    -0.0000
 88   0     0.9459     1.0000     0.0541     0.9902     0.9902    -0.0000
 89   0     0.9317     1.0000     0.0683     0.9821     0.9821    -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                0.977441
                0             6               4            6                0.951532
                0             6               5            1                0.998247
                0             6               6            1                0.988134
                1             6               2            6                0.942546
                1             6               7            1                0.993959
                1             6               8            1                0.994510
                2             6               3            6                0.976323
                2             6               9            1                0.994260
                2             6              10            1                0.995169
                3             6               4            6                0.963059
                3             6              11            1                0.990600
                3             6              12            1                0.993870
                4             6              13            1                0.990703
                4             6              14            1                0.985597
               15             6              16            6                0.972759
               15             6              19            6                0.971721
               15             6              20            1                1.017088
               15             6              21            1                0.983941
               16             6              17            6                0.945204
               16             6              22            1                0.998031
               16             6              23            1                1.005303
               17             6              18            6                0.973484
               17             6              24            1                1.000062
               17             6              25            1                1.000722
               18             6              19            6                0.967791
               18             6              26            1                0.996101
               18             6              27            1                1.003562
               19             6              28            1                0.991561
               19             6              29            1                1.008139
               30             6              31            6                0.956966
               30             6              34            6                0.971617
               30             6              35            1                0.989063
               30             6              36            1                0.994241
               31             6              32            6                0.979726
               31             6              37            1                0.998161
               31             6              38            1                0.991540
               32             6              33            6                0.994613
               32             6              39            1                0.993739
               32             6              40            1                0.991855
               33             6              34            6                0.967043
               33             6              41            1                0.997981
               33             6              42            1                0.987714
               34             6              43            1                0.994410
               34             6              44            1                0.993388
               45             6              46            6                0.968972
               45             6              49            6                0.973415
               45             6              50            1                0.992494
               45             6              51            1                0.988816
               46             6              47            6                0.959686
               46             6              52            1                0.978423
               46             6              53            1                0.999036
               47             6              48            6                0.971968
               47             6              54            1                0.994325
               47             6              55            1                0.991417
               48             6              49            6                0.967022
               48             6              56            1                0.998562
               48             6              57            1                0.983953
               49             6              58            1                0.991775
               49             6              59            1                0.986413
               60             6              61            6                0.965534
               60             6              64            6                0.932697
               60             6              65            1                0.997396
               60             6              66            1                0.994822
               61             6              62            6                0.994503
               61             6              67            1                0.990332
               61             6              68            1                1.003094
               62             6              63            6                0.974160
               62             6              69            1                0.991561
               62             6              70            1                0.998656
               63             6              64            6                0.961785
               63             6              71            1                1.004380
               63             6              72            1                0.984673
               64             6              73            1                0.999305
               64             6              74            1                0.996429
               75             6              76            6                0.978174
               75             6              79            6                0.959203
               75             6              80            1                0.990400
               75             6              81            1                0.996259
               76             6              77            6                0.967231
               76             6              82            1                0.978594
               76             6              83            1                0.994509
               77             6              78            6                0.979030
               77             6              84            1                0.994129
               77             6              85            1                0.996814
               78             6              79            6                0.962285
               78             6              86            1                0.995129
               78             6              87            1                0.993999
               79             6              88            1                0.994765
               79             6              89            1                0.991171
# -----------------------------------------------------------
$ 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     6.1403     6.0000    -0.1403     4.0015     3.6896     0.3119
  1   0     6.1459     6.0000    -0.1459     3.9688     3.6511     0.3177
  2   0     6.2137     6.0000    -0.2137     3.9892     3.6639     0.3253
  3   0     6.1336     6.0000    -0.1336     3.9997     3.6784     0.3213
  4   0     6.2507     6.0000    -0.2507     3.9780     3.6409     0.3371
  5   0     0.9279     1.0000     0.0721     0.9928     0.9415     0.0513
  6   0     0.8990     1.0000     0.1010     0.9829     0.9342     0.0487
  7   0     0.9195     1.0000     0.0805     0.9855     0.9346     0.0509
  8   0     0.9114     1.0000     0.0886     0.9846     0.9341     0.0505
  9   0     0.9152     1.0000     0.0848     0.9787     0.9260     0.0527
 10   0     0.9017     1.0000     0.0983     0.9838     0.9335     0.0503
 11   0     0.9048     1.0000     0.0952     0.9889     0.9398     0.0491
 12   0     0.9047     1.0000     0.0953     0.9862     0.9345     0.0517
 13   0     0.9038     1.0000     0.0962     0.9822     0.9305     0.0517
 14   0     0.9175     1.0000     0.0825     0.9799     0.9230     0.0569
 15   0     6.0834     6.0000    -0.0834     4.0106     3.6968     0.3138
 16   0     6.2158     6.0000    -0.2158     4.0113     3.6841     0.3272
 17   0     6.1508     6.0000    -0.1508     3.9661     3.6552     0.3109
 18   0     6.1724     6.0000    -0.1724     4.0588     3.7314     0.3274
 19   0     6.0929     6.0000    -0.0929     4.0062     3.6952     0.3110
 20   0     0.9888     1.0000     0.0112     1.0286     0.9732     0.0554
 21   0     0.9126     1.0000     0.0874     0.9838     0.9304     0.0534
 22   0     0.9058     1.0000     0.0942     0.9810     0.9289     0.0521
 23   0     0.9221     1.0000     0.0779     0.9785     0.9217     0.0568
 24   0     0.9182     1.0000     0.0818     0.9917     0.9415     0.0502
 25   0     0.9293     1.0000     0.0707     1.0003     0.9497     0.0506
 26   0     0.9002     1.0000     0.0998     0.9833     0.9335     0.0498
 27   0     0.9601     1.0000     0.0399     1.0030     0.9451     0.0579
 28   0     0.9231     1.0000     0.0769     0.9965     0.9457     0.0508
 29   0     0.9396     1.0000     0.0604     0.9984     0.9457     0.0527
 30   0     6.2081     6.0000    -0.2081     4.0081     3.6775     0.3306
 31   0     6.1407     6.0000    -0.1407     3.9801     3.6537     0.3264
 32   0     6.1851     6.0000    -0.1851     4.0569     3.7400     0.3169
 33   0     6.1483     6.0000    -0.1483     4.0231     3.7037     0.3194
 34   0     6.1450     6.0000    -0.1450     3.9842     3.6625     0.3217
 35   0     0.9157     1.0000     0.0843     0.9817     0.9280     0.0537
 36   0     0.9127     1.0000     0.0873     0.9722     0.9198     0.0524
 37   0     0.9233     1.0000     0.0767     0.9911     0.9353     0.0558
 38   0     0.9055     1.0000     0.0945     0.9816     0.9293     0.0523
 39   0     0.9139     1.0000     0.0861     0.9841     0.9347     0.0494
 40   0     0.9077     1.0000     0.0923     0.9877     0.9373     0.0504
 41   0     0.9241     1.0000     0.0759     0.9892     0.9382     0.0510
 42   0     0.9063     1.0000     0.0937     0.9832     0.9331     0.0501
 43   0     0.9557     1.0000     0.0443     1.0050     0.9484     0.0566
 44   0     0.9110     1.0000     0.0890     0.9848     0.9339     0.0509
 45   0     6.1763     6.0000    -0.1763     4.0137     3.6905     0.3232
 46   0     6.1507     6.0000    -0.1507     3.9762     3.6589     0.3173
 47   0     6.1851     6.0000    -0.1851     4.0014     3.6819     0.3195
 48   0     6.1490     6.0000    -0.1490     3.9983     3.6827     0.3156
 49   0     6.1731     6.0000    -0.1731     3.9926     3.6693     0.3233
 50   0     0.9144     1.0000     0.0856     0.9844     0.9306     0.0538
 51   0     0.9125     1.0000     0.0875     0.9893     0.9379     0.0514
 52   0     0.9024     1.0000     0.0976     0.9829     0.9287     0.0542
 53   0     0.9302     1.0000     0.0698     0.9886     0.9370     0.0516
 54   0     0.9284     1.0000     0.0716     0.9837     0.9293     0.0544
 55   0     0.9153     1.0000     0.0847     0.9868     0.9345     0.0523
 56   0     0.9215     1.0000     0.0785     0.9933     0.9446     0.0487
 57   0     0.9109     1.0000     0.0891     0.9841     0.9317     0.0524
 58   0     0.9149     1.0000     0.0851     0.9879     0.9366     0.0513
 59   0     0.9150     1.0000     0.0850     0.9849     0.9303     0.0546
 60   0     6.1151     6.0000    -0.1151     3.9288     3.6115     0.3173
 61   0     6.1964     6.0000    -0.1964     4.0633     3.7442     0.3191
 62   0     6.1199     6.0000    -0.1199     4.0077     3.6994     0.3083
 63   0     6.1647     6.0000    -0.1647     3.9899     3.6690     0.3209
 64   0     6.2576     6.0000    -0.2576     3.9796     3.6532     0.3264
 65   0     0.9191     1.0000     0.0809     0.9840     0.9310     0.0530
 66   0     0.9137     1.0000     0.0863     0.9854     0.9334     0.0520
 67   0     0.9135     1.0000     0.0865     0.9832     0.9286     0.0546
 68   0     0.9111     1.0000     0.0889     0.9846     0.9345     0.0501
 69   0     0.9112     1.0000     0.0888     0.9854     0.9340     0.0514
 70   0     0.9181     1.0000     0.0819     0.9944     0.9437     0.0507
 71   0     0.9249     1.0000     0.0751     0.9857     0.9316     0.0541
 72   0     0.9016     1.0000     0.0984     0.9792     0.9260     0.0532
 73   0     0.9203     1.0000     0.0797     0.9784     0.9267     0.0517
 74   0     0.9096     1.0000     0.0904     0.9817     0.9297     0.0520
 75   0     6.1942     6.0000    -0.1942     4.0186     3.6972     0.3214
 76   0     6.1842     6.0000    -0.1842     3.9991     3.6693     0.3298
 77   0     6.1803     6.0000    -0.1803     3.9953     3.6714     0.3239
 78   0     6.1919     6.0000    -0.1919     4.0441     3.7236     0.3205
 79   0     6.0872     6.0000    -0.0872     3.9456     3.6322     0.3134
 80   0     0.9048     1.0000     0.0952     0.9808     0.9303     0.0505
 81   0     0.9162     1.0000     0.0838     0.9841     0.9316     0.0525
 82   0     0.8946     1.0000     0.1054     0.9789     0.9273     0.0516
 83   0     0.9200     1.0000     0.0800     0.9883     0.9347     0.0536
 84   0     0.9129     1.0000     0.0871     0.9877     0.9362     0.0515
 85   0     0.9152     1.0000     0.0848     0.9831     0.9304     0.0527
 86   0     0.9119     1.0000     0.0881     0.9817     0.9319     0.0498
 87   0     0.9120     1.0000     0.0880     0.9863     0.9338     0.0525
 88   0     0.9416     1.0000     0.0584     1.0004     0.9466     0.0538
 89   0     0.9284     1.0000     0.0716     0.9931     0.9410     0.0521
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.914426
                0             6               4            6                0.889446
                0             6               5            1                0.957856
                0             6               6            1                0.949809
                1             6               2            6                0.880515
                1             6               7            1                0.953461
                1             6               8            1                0.954696
                2             6               3            6                0.912423
                2             6               9            1                0.952056
                2             6              10            1                0.954908
                3             6               4            6                0.897045
                3             6              11            1                0.951852
                3             6              12            1                0.952380
                4             6              13            1                0.949160
                4             6              14            1                0.940557
               15             6              16            6                0.909487
               15             6              19            6                0.910752
               15             6              20            1                0.974851
               15             6              21            1                0.941055
               16             6              17            6                0.886072
               16             6              22            1                0.956424
               16             6              23            1                0.959136
               17             6              18            6                0.908364
               17             6              24            1                0.960034
               17             6              25            1                0.961707
               18             6              19            6                0.905307
               18             6              26            1                0.955941
               18             6              27            1                0.957749
               19             6              28            1                0.951494
               19             6              29            1                0.966566
               30             6              31            6                0.894593
               30             6              34            6                0.907164
               30             6              35            1                0.946030
               30             6              36            1                0.952631
               31             6              32            6                0.916322
               31             6              37            1                0.953088
               31             6              38            1                0.949513
               32             6              33            6                0.929262
               32             6              39            1                0.954927
               32             6              40            1                0.952029
               33             6              34            6                0.904003
               33             6              41            1                0.957843
               33             6              42            1                0.948189
               34             6              43            1                0.951285
               34             6              44            1                0.952846
               45             6              46            6                0.905751
               45             6              49            6                0.909107
               45             6              50            1                0.949291
               45             6              51            1                0.948477
               46             6              47            6                0.900578
               46             6              52            1                0.935136
               46             6              53            1                0.958637
               47             6              48            6                0.908682
               47             6              54            1                0.951199
               47             6              55            1                0.950263
               48             6              49            6                0.904425
               48             6              56            1                0.960355
               48             6              57            1                0.942442
               49             6              58            1                0.951159
               49             6              59            1                0.942641
               60             6              61            6                0.905987
               60             6              64            6                0.871734
               60             6              65            1                0.955028
               60             6              66            1                0.952856
               61             6              62            6                0.931668
               61             6              67            1                0.946463
               61             6              68            1                0.963088
               62             6              63            6                0.914416
               62             6              69            1                0.950554
               62             6              70            1                0.958869
               63             6              64            6                0.899860
               63             6              71            1                0.960850
               63             6              72            1                0.941982
               64             6              73            1                0.957983
               64             6              74            1                0.954012
               75             6              76            6                0.912762
               75             6              79            6                0.897482
               75             6              80            1                0.950501
               75             6              81            1                0.954540
               76             6              77            6                0.901779
               76             6              82            1                0.937639
               76             6              83            1                0.951671
               77             6              78            6                0.915602
               77             6              84            1                0.953653
               77             6              85            1                0.954947
               78             6              79            6                0.901173
               78             6              86            1                0.955674
               78             6              87            1                0.952102
               79             6              88            1                0.952080
               79             6              89            1                0.950927
# -----------------------------------------------------------
$ 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     6.1935     6.0000    -0.1935     3.9746     3.6665     0.3081
  1   0     6.2043     6.0000    -0.2043     3.9450     3.6314     0.3136
  2   0     6.2602     6.0000    -0.2602     3.9645     3.6435     0.3210
  3   0     6.1861     6.0000    -0.1861     3.9818     3.6643     0.3175
  4   0     6.2938     6.0000    -0.2938     3.9710     3.6385     0.3325
  5   0     0.8973     1.0000     0.1027     0.9828     0.9328     0.0500
  6   0     0.8758     1.0000     0.1242     0.9757     0.9280     0.0477
  7   0     0.8964     1.0000     0.1036     0.9786     0.9288     0.0498
  8   0     0.8840     1.0000     0.1160     0.9813     0.9320     0.0493
  9   0     0.8915     1.0000     0.1085     0.9712     0.9195     0.0517
 10   0     0.8739     1.0000     0.1261     0.9763     0.9273     0.0490
 11   0     0.8833     1.0000     0.1167     0.9817     0.9336     0.0481
 12   0     0.8790     1.0000     0.1210     0.9785     0.9280     0.0505
 13   0     0.8802     1.0000     0.1198     0.9723     0.9216     0.0507
 14   0     0.8899     1.0000     0.1101     0.9760     0.9206     0.0554
 15   0     6.1411     6.0000    -0.1411     3.9896     3.6801     0.3095
 16   0     6.2515     6.0000    -0.2515     3.9911     3.6686     0.3225
 17   0     6.2171     6.0000    -0.2171     3.9646     3.6576     0.3070
 18   0     6.2235     6.0000    -0.2235     4.0297     3.7064     0.3233
 19   0     6.1648     6.0000    -0.1648     3.9980     3.6910     0.3070
 20   0     0.9583     1.0000     0.0417     1.0298     0.9758     0.0540
 21   0     0.8910     1.0000     0.1090     0.9761     0.9237     0.0524
 22   0     0.8828     1.0000     0.1172     0.9730     0.9220     0.0510
 23   0     0.8943     1.0000     0.1057     0.9721     0.9166     0.0555
 24   0     0.8895     1.0000     0.1105     0.9808     0.9318     0.0490
 25   0     0.8969     1.0000     0.1031     0.9873     0.9381     0.0492
 26   0     0.8761     1.0000     0.1239     0.9736     0.9249     0.0487
 27   0     0.9243     1.0000     0.0757     0.9982     0.9419     0.0563
 28   0     0.8927     1.0000     0.1073     0.9836     0.9340     0.0496
 29   0     0.9102     1.0000     0.0898     0.9971     0.9457     0.0514
 30   0     6.2517     6.0000    -0.2517     3.9919     3.6660     0.3259
 31   0     6.1880     6.0000    -0.1880     3.9736     3.6517     0.3219
 32   0     6.2273     6.0000    -0.2273     4.0396     3.7266     0.3130
 33   0     6.2043     6.0000    -0.2043     4.0124     3.6968     0.3156
 34   0     6.1951     6.0000    -0.1951     3.9700     3.6528     0.3172
 35   0     0.8915     1.0000     0.1085     0.9734     0.9208     0.0526
 36   0     0.8890     1.0000     0.1110     0.9697     0.9186     0.0511
 37   0     0.8963     1.0000     0.1037     0.9860     0.9316     0.0544
 38   0     0.8871     1.0000     0.1129     0.9745     0.9232     0.0513
 39   0     0.8909     1.0000     0.1091     0.9763     0.9279     0.0484
 40   0     0.8852     1.0000     0.1148     0.9781     0.9287     0.0494
 41   0     0.8969     1.0000     0.1031     0.9782     0.9283     0.0499
 42   0     0.8827     1.0000     0.1173     0.9743     0.9251     0.0492
 43   0     0.9271     1.0000     0.0729     1.0027     0.9476     0.0551
 44   0     0.8884     1.0000     0.1116     0.9772     0.9275     0.0497
 45   0     6.2209     6.0000    -0.2209     3.9886     3.6694     0.3192
 46   0     6.2010     6.0000    -0.2010     3.9598     3.6469     0.3129
 47   0     6.2362     6.0000    -0.2362     3.9774     3.6621     0.3153
 48   0     6.2027     6.0000    -0.2027     3.9744     3.6627     0.3117
 49   0     6.2229     6.0000    -0.2229     3.9764     3.6574     0.3190
 50   0     0.8903     1.0000     0.1097     0.9778     0.9250     0.0528
 51   0     0.8907     1.0000     0.1093     0.9828     0.9324     0.0504
 52   0     0.8798     1.0000     0.1202     0.9763     0.9231     0.0532
 53   0     0.9030     1.0000     0.0970     0.9799     0.9294     0.0505
 54   0     0.9009     1.0000     0.0991     0.9751     0.9218     0.0533
 55   0     0.8875     1.0000     0.1125     0.9796     0.9285     0.0511
 56   0     0.8946     1.0000     0.1054     0.9854     0.9378     0.0476
 57   0     0.8873     1.0000     0.1127     0.9778     0.9264     0.0514
 58   0     0.8908     1.0000     0.1092     0.9816     0.9313     0.0503
 59   0     0.8911     1.0000     0.1089     0.9778     0.9242     0.0536
 60   0     6.1816     6.0000    -0.1816     3.9365     3.6234     0.3131
 61   0     6.2424     6.0000    -0.2424     4.0466     3.7318     0.3148
 62   0     6.1747     6.0000    -0.1747     3.9988     3.6944     0.3044
 63   0     6.2175     6.0000    -0.2175     3.9742     3.6576     0.3166
 64   0     6.3046     6.0000    -0.3046     3.9613     3.6395     0.3218
 65   0     0.8944     1.0000     0.1056     0.9772     0.9254     0.0518
 66   0     0.8861     1.0000     0.1139     0.9764     0.9257     0.0507
 67   0     0.8891     1.0000     0.1109     0.9754     0.9218     0.0536
 68   0     0.8858     1.0000     0.1142     0.9764     0.9274     0.0490
 69   0     0.8882     1.0000     0.1118     0.9790     0.9286     0.0504
 70   0     0.8934     1.0000     0.1066     0.9848     0.9352     0.0496
 71   0     0.8953     1.0000     0.1047     0.9764     0.9235     0.0529
 72   0     0.8789     1.0000     0.1211     0.9730     0.9208     0.0522
 73   0     0.8894     1.0000     0.1106     0.9694     0.9191     0.0503
 74   0     0.8786     1.0000     0.1214     0.9707     0.9200     0.0507
 75   0     6.2374     6.0000    -0.2374     3.9953     3.6781     0.3172
 76   0     6.2326     6.0000    -0.2326     3.9856     3.6598     0.3258
 77   0     6.2284     6.0000    -0.2284     3.9771     3.6572     0.3199
 78   0     6.2371     6.0000    -0.2371     4.0214     3.7050     0.3164
 79   0     6.1574     6.0000    -0.1574     3.9510     3.6416     0.3094
 80   0     0.8814     1.0000     0.1186     0.9744     0.9250     0.0494
 81   0     0.8895     1.0000     0.1105     0.9749     0.9236     0.0513
 82   0     0.8741     1.0000     0.1259     0.9730     0.9223     0.0507
 83   0     0.8933     1.0000     0.1067     0.9777     0.9252     0.0525
 84   0     0.8877     1.0000     0.1123     0.9781     0.9278     0.0503
 85   0     0.8900     1.0000     0.1100     0.9751     0.9234     0.0517
 86   0     0.8879     1.0000     0.1121     0.9739     0.9251     0.0488
 87   0     0.8865     1.0000     0.1135     0.9789     0.9276     0.0513
 88   0     0.9134     1.0000     0.0866     0.9915     0.9391     0.0524
 89   0     0.8990     1.0000     0.1010     0.9873     0.9366     0.0507
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.916193
                0             6               4            6                0.901182
                0             6               5            1                0.945872
                0             6               6            1                0.938951
                1             6               2            6                0.882735
                1             6               7            1                0.940100
                1             6               8            1                0.944717
                2             6               3            6                0.919073
                2             6               9            1                0.937731
                2             6              10            1                0.942483
                3             6               4            6                0.904751
                3             6              11            1                0.940021
                3             6              12            1                0.939642
                4             6              13            1                0.934579
                4             6              14            1                0.923909
               15             6              16            6                0.921721
               15             6              19            6                0.916363
               15             6              20            1                0.966010
               15             6              21            1                0.921997
               16             6              17            6                0.902031
               16             6              22            1                0.937410
               16             6              23            1                0.941586
               17             6              18            6                0.911047
               17             6              24            1                0.948931
               17             6              25            1                0.948295
               18             6              19            6                0.917994
               18             6              26            1                0.939584
               18             6              27            1                0.942876
               19             6              28            1                0.934644
               19             6              29            1                0.957511
               30             6              31            6                0.911221
               30             6              34            6                0.910033
               30             6              35            1                0.930910
               30             6              36            1                0.938707
               31             6              32            6                0.928245
               31             6              37            1                0.935111
               31             6              38            1                0.932612
               32             6              33            6                0.935211
               32             6              39            1                0.942456
               32             6              40            1                0.937953
               33             6              34            6                0.918527
               33             6              41            1                0.942343
               33             6              42            1                0.936675
               34             6              43            1                0.937592
               34             6              44            1                0.936986
               45             6              46            6                0.911728
               45             6              49            6                0.915813
               45             6              50            1                0.938765
               45             6              51            1                0.935735
               46             6              47            6                0.910137
               46             6              52            1                0.920953
               46             6              53            1                0.948240
               47             6              48            6                0.911936
               47             6              54            1                0.937501
               47             6              55            1                0.937714
               48             6              49            6                0.909514
               48             6              56            1                0.951420
               48             6              57            1                0.930526
               49             6              58            1                0.941711
               49             6              59            1                0.930547
               60             6              61            6                0.921736
               60             6              64            6                0.882760
               60             6              65            1                0.938571
               60             6              66            1                0.940141
               61             6              62            6                0.937550
               61             6              67            1                0.930428
               61             6              68            1                0.948314
               62             6              63            6                0.931809
               62             6              69            1                0.938643
               62             6              70            1                0.943180
               63             6              64            6                0.901926
               63             6              71            1                0.946574
               63             6              72            1                0.925855
               64             6              73            1                0.944972
               64             6              74            1                0.937559
               75             6              76            6                0.919012
               75             6              79            6                0.910440
               75             6              80            1                0.938848
               75             6              81            1                0.940982
               76             6              77            6                0.909985
               76             6              82            1                0.927021
               76             6              83            1                0.937909
               77             6              78            6                0.921453
               77             6              84            1                0.939999
               77             6              85            1                0.942167
               78             6              79            6                0.913720
               78             6              86            1                0.942415
               78             6              87            1                0.935885
               79             6              88            1                0.934936
               79             6              89            1                0.942104
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1996554326
        Correlation Energy:       -5.0674047464
        Total MP2 Energy:      -1176.2670601789
# -----------------------------------------------------------
$ 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) :        0.2727221514
        Electronic Contribution:
                  0    
      0       0.048756
      1      -0.058097
      2      -0.316437
        Nuclear Contribution:
                  0    
      0      -0.008033
      1       0.120501
      2       0.393636
        Total Dipole moment:
                  0    
      0       0.040722
      1       0.062404
      2       0.077199
# -----------------------------------------------------------
$ 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) :        0.2768547440
        Electronic Contribution:
                  0    
      0       0.049494
      1      -0.057149
      2      -0.315333
        Nuclear Contribution:
                  0    
      0      -0.008033
      1       0.120501
      2       0.393636
        Total Dipole moment:
                  0    
      0       0.041461
      1       0.063351
      2       0.078303
# -----------------------------------------------------------
$ 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) :        0.2962478569
        Electronic Contribution:
                  0    
      0       0.045727
      1      -0.052434
      2      -0.306860
        Nuclear Contribution:
                  0    
      0      -0.008033
      1       0.120501
      2       0.393636
        Total Dipole moment:
                  0    
      0       0.037694
      1       0.068067
      2       0.086776
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     14.680000000000   21.850000000000   19.720000000000
               1 C     15.650000000000   20.880000000000   20.420000000000
               2 C     14.890000000000   19.630000000000   20.820000000000
               3 C     13.480000000000   19.720000000000   20.170000000000
               4 C     13.340000000000   21.140000000000   19.440000000000
               5 H     15.070000000000   22.030000000000   18.770000000000
               6 H     14.600000000000   22.780000000000   20.220000000000
               7 H     15.920000000000   21.390000000000   21.330000000000
               8 H     16.500000000000   20.610000000000   19.840000000000
               9 H     14.900000000000   19.660000000000   21.920000000000
              10 H     15.510000000000   18.780000000000   20.630000000000
              11 H     12.770000000000   19.640000000000   20.950000000000
              12 H     13.470000000000   18.880000000000   19.480000000000
              13 H     12.460000000000   21.690000000000   19.760000000000
              14 H     12.980000000000   21.060000000000   18.370000000000
              15 C     16.370000000000   18.770000000000   17.630000000000
              16 C     17.510000000000   19.560000000000   16.940000000000
              17 C     16.990000000000   20.330000000000   15.780000000000
              18 C     15.530000000000   19.760000000000   15.570000000000
              19 C     15.130000000000   18.950000000000   16.820000000000
              20 H     16.180000000000   19.140000000000   18.590000000000
              21 H     16.620000000000   17.680000000000   17.760000000000
              22 H     18.420000000000   19.050000000000   16.610000000000
              23 H     17.980000000000   20.250000000000   17.720000000000
              24 H     17.660000000000   20.170000000000   14.980000000000
              25 H     17.100000000000   21.330000000000   15.980000000000
              26 H     15.510000000000   19.230000000000   14.650000000000
              27 H     14.750000000000   20.550000000000   15.400000000000
              28 H     14.670000000000   18.000000000000   16.630000000000
              29 H     14.410000000000   19.480000000000   17.380000000000
              30 C     14.770000000000   23.460000000000   12.750000000000
              31 C     15.520000000000   24.270000000000   11.680000000000
              32 C     16.420000000000   23.340000000000   10.820000000000
              33 C     16.110000000000   21.920000000000   11.410000000000
              34 C     15.480000000000   22.080000000000   12.820000000000
              35 H     13.700000000000   23.380000000000   12.420000000000
              36 H     14.740000000000   23.860000000000   13.750000000000
              37 H     16.140000000000   25.030000000000   12.230000000000
              38 H     14.810000000000   24.880000000000   11.080000000000
              39 H     17.430000000000   23.610000000000   10.930000000000
              40 H     16.230000000000   23.290000000000    9.760000000000
              41 H     17.020000000000   21.390000000000   11.470000000000
              42 H     15.510000000000   21.300000000000   10.780000000000
              43 H     16.190000000000   22.100000000000   13.650000000000
              44 H     14.760000000000   21.320000000000   13.060000000000
              45 C     12.850000000000   13.250000000000   15.350000000000
              46 C     12.960000000000   14.800000000000   15.390000000000
              47 C     12.180000000000   15.260000000000   16.560000000000
              48 C     11.770000000000   14.040000000000   17.440000000000
              49 C     12.120000000000   12.780000000000   16.640000000000
              50 H     13.900000000000   12.830000000000   15.370000000000
              51 H     12.240000000000   12.870000000000   14.540000000000
              52 H     12.700000000000   15.430000000000   14.460000000000
              53 H     13.980000000000   14.960000000000   15.630000000000
              54 H     11.250000000000   15.740000000000   16.180000000000
              55 H     12.690000000000   16.070000000000   17.080000000000
              56 H     10.740000000000   14.060000000000   17.540000000000
              57 H     12.280000000000   14.030000000000   18.430000000000
              58 H     11.180000000000   12.290000000000   16.390000000000
              59 H     12.860000000000   12.160000000000   17.250000000000
              60 C     17.270000000000   25.440000000000   14.460000000000
              61 C     17.870000000000   26.490000000000   15.330000000000
              62 C     18.640000000000   25.740000000000   16.420000000000
              63 C     18.640000000000   24.280000000000   16.100000000000
              64 C     17.580000000000   24.050000000000   15.030000000000
              65 H     17.720000000000   25.500000000000   13.460000000000
              66 H     16.190000000000   25.580000000000   14.410000000000
              67 H     17.090000000000   27.210000000000   15.760000000000
              68 H     18.490000000000   27.110000000000   14.720000000000
              69 H     18.180000000000   25.840000000000   17.410000000000
              70 H     19.620000000000   26.160000000000   16.410000000000
              71 H     18.270000000000   23.770000000000   17.000000000000
              72 H     19.570000000000   23.700000000000   15.830000000000
              73 H     16.700000000000   23.600000000000   15.420000000000
              74 H     17.940000000000   23.260000000000   14.370000000000
              75 C     11.110000000000   21.260000000000   15.110000000000
              76 C      9.810000000000   22.040000000000   14.670000000000
              77 C     10.390000000000   23.510000000000   14.520000000000
              78 C     11.680000000000   23.670000000000   15.370000000000
              79 C     12.130000000000   22.250000000000   15.680000000000
              80 H     11.520000000000   20.650000000000   14.330000000000
              81 H     10.780000000000   20.560000000000   15.870000000000
              82 H      8.880000000000   21.930000000000   15.270000000000
              83 H      9.550000000000   21.700000000000   13.650000000000
              84 H      9.640000000000   24.260000000000   14.720000000000
              85 H     10.620000000000   23.680000000000   13.470000000000
              86 H     11.410000000000   24.260000000000   16.210000000000
              87 H     12.470000000000   24.260000000000   14.870000000000
              88 H     12.170000000000   22.080000000000   16.770000000000
              89 H     13.090000000000   22.080000000000   15.290000000000
