-------------------------------------------------------------
----------------------- !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:    -1171.1784520501
# -----------------------------------------------------------
$ 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     6.1628     6.0000    -0.1628     3.8996     3.8996    -0.0000
  1   0     6.1921     6.0000    -0.1921     3.9163     3.9163    -0.0000
  2   0     6.1011     6.0000    -0.1011     3.8579     3.8579    -0.0000
  3   0     6.2071     6.0000    -0.2071     3.9048     3.9048    -0.0000
  4   0     6.1445     6.0000    -0.1445     3.8808     3.8808    -0.0000
  5   0     0.9149     1.0000     0.0851     0.9771     0.9771    -0.0000
  6   0     0.9168     1.0000     0.0832     0.9741     0.9741    -0.0000
  7   0     0.9158     1.0000     0.0842     0.9754     0.9754    -0.0000
  8   0     0.9079     1.0000     0.0921     0.9796     0.9796    -0.0000
  9   0     0.9454     1.0000     0.0546     0.9913     0.9913    -0.0000
 10   0     0.9305     1.0000     0.0695     1.0001     1.0001    -0.0000
 11   0     0.9150     1.0000     0.0850     0.9702     0.9702    -0.0000
 12   0     0.9144     1.0000     0.0856     0.9769     0.9769    -0.0000
 13   0     0.9257     1.0000     0.0743     0.9828     0.9828    -0.0000
 14   0     0.9106     1.0000     0.0894     0.9730     0.9730    -0.0000
 15   0     6.2238     6.0000    -0.2238     3.9271     3.9271    -0.0000
 16   0     6.1117     6.0000    -0.1117     3.8203     3.8203    -0.0000
 17   0     6.1407     6.0000    -0.1407     3.9232     3.9232    -0.0000
 18   0     6.1883     6.0000    -0.1883     3.9174     3.9174    -0.0000
 19   0     6.1050     6.0000    -0.1050     3.8955     3.8955     0.0000
 20   0     0.9132     1.0000     0.0868     0.9778     0.9778     0.0000
 21   0     0.9226     1.0000     0.0774     0.9708     0.9708     0.0000
 22   0     0.9435     1.0000     0.0565     0.9759     0.9759     0.0000
 23   0     0.9482     1.0000     0.0518     1.0045     1.0045     0.0000
 24   0     0.9168     1.0000     0.0832     0.9761     0.9761     0.0000
 25   0     0.9067     1.0000     0.0933     0.9811     0.9811     0.0000
 26   0     0.9260     1.0000     0.0740     0.9740     0.9740     0.0000
 27   0     0.9081     1.0000     0.0919     0.9747     0.9747     0.0000
 28   0     0.9275     1.0000     0.0725     0.9778     0.9778     0.0000
 29   0     0.9186     1.0000     0.0814     0.9809     0.9809     0.0000
 30   0     6.1305     6.0000    -0.1305     3.8772     3.8772     0.0000
 31   0     6.2190     6.0000    -0.2190     3.8721     3.8721     0.0000
 32   0     6.1248     6.0000    -0.1248     3.9047     3.9047    -0.0000
 33   0     6.1681     6.0000    -0.1681     3.9064     3.9064     0.0000
 34   0     6.2000     6.0000    -0.2000     3.8831     3.8831    -0.0000
 35   0     0.9215     1.0000     0.0785     0.9599     0.9599     0.0000
 36   0     0.9062     1.0000     0.0938     0.9665     0.9665     0.0000
 37   0     0.9196     1.0000     0.0804     0.9726     0.9726     0.0000
 38   0     0.9119     1.0000     0.0881     0.9671     0.9671     0.0000
 39   0     0.9058     1.0000     0.0942     0.9760     0.9760    -0.0000
 40   0     0.9244     1.0000     0.0756     0.9772     0.9772    -0.0000
 41   0     0.9107     1.0000     0.0893     0.9781     0.9781     0.0000
 42   0     0.9285     1.0000     0.0715     0.9731     0.9731     0.0000
 43   0     0.9138     1.0000     0.0862     0.9756     0.9756    -0.0000
 44   0     0.9124     1.0000     0.0876     0.9740     0.9740    -0.0000
 45   0     6.1416     6.0000    -0.1416     3.8955     3.8955    -0.0000
 46   0     6.1416     6.0000    -0.1416     3.9000     3.9000    -0.0000
 47   0     6.1692     6.0000    -0.1692     3.8818     3.8818    -0.0000
 48   0     6.1939     6.0000    -0.1939     3.9017     3.9017     0.0000
 49   0     6.1478     6.0000    -0.1478     3.8815     3.8815     0.0000
 50   0     0.9210     1.0000     0.0790     0.9760     0.9760     0.0000
 51   0     0.9304     1.0000     0.0696     0.9816     0.9816    -0.0000
 52   0     0.9308     1.0000     0.0692     0.9823     0.9823    -0.0000
 53   0     0.9227     1.0000     0.0773     0.9795     0.9795    -0.0000
 54   0     0.9196     1.0000     0.0804     0.9743     0.9743    -0.0000
 55   0     0.9128     1.0000     0.0872     0.9744     0.9744    -0.0000
 56   0     0.9207     1.0000     0.0793     0.9739     0.9739     0.0000
 57   0     0.9076     1.0000     0.0924     0.9751     0.9751     0.0000
 58   0     0.9171     1.0000     0.0829     0.9780     0.9780    -0.0000
 59   0     0.9234     1.0000     0.0766     0.9775     0.9775     0.0000
 60   0     6.1784     6.0000    -0.1784     3.8826     3.8826    -0.0000
 61   0     6.1794     6.0000    -0.1794     3.8571     3.8571     0.0000
 62   0     6.1879     6.0000    -0.1879     3.8931     3.8931     0.0000
 63   0     6.1403     6.0000    -0.1403     3.8837     3.8837    -0.0000
 64   0     6.1585     6.0000    -0.1585     3.9181     3.9181     0.0000
 65   0     0.9148     1.0000     0.0852     0.9770     0.9770    -0.0000
 66   0     0.9115     1.0000     0.0885     0.9763     0.9763     0.0000
 67   0     0.9182     1.0000     0.0818     0.9660     0.9660    -0.0000
 68   0     0.9176     1.0000     0.0824     0.9739     0.9739     0.0000
 69   0     0.9262     1.0000     0.0738     0.9697     0.9697     0.0000
 70   0     0.9094     1.0000     0.0906     0.9697     0.9697    -0.0000
 71   0     0.9067     1.0000     0.0933     0.9696     0.9696    -0.0000
 72   0     0.9256     1.0000     0.0744     0.9751     0.9751     0.0000
 73   0     0.9105     1.0000     0.0895     0.9791     0.9791     0.0000
 74   0     0.9120     1.0000     0.0880     0.9745     0.9745     0.0000
 75   0     6.1297     6.0000    -0.1297     3.9016     3.9016     0.0000
 76   0     6.1688     6.0000    -0.1688     3.9080     3.9080    -0.0000
 77   0     6.1682     6.0000    -0.1682     3.8933     3.8933     0.0000
 78   0     6.1378     6.0000    -0.1378     3.8888     3.8888    -0.0000
 79   0     6.1762     6.0000    -0.1762     3.8568     3.8568    -0.0000
 80   0     0.9247     1.0000     0.0753     0.9790     0.9790     0.0000
 81   0     0.9128     1.0000     0.0872     0.9834     0.9834     0.0000
 82   0     0.9100     1.0000     0.0900     0.9778     0.9778    -0.0000
 83   0     0.9195     1.0000     0.0805     0.9791     0.9791     0.0000
 84   0     0.9202     1.0000     0.0798     0.9802     0.9802     0.0000
 85   0     0.9197     1.0000     0.0803     0.9758     0.9758     0.0000
 86   0     0.9226     1.0000     0.0774     0.9824     0.9824    -0.0000
 87   0     0.9231     1.0000     0.0769     0.9761     0.9761    -0.0000
 88   0     0.9288     1.0000     0.0712     0.9739     0.9739    -0.0000
 89   0     0.9382     1.0000     0.0618     0.9818     0.9818     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                0.975310
                0             6               4            6                0.973922
                0             6               5            1                0.991733
                0             6               6            1                0.995810
                1             6               2            6                0.973083
                1             6               7            1                0.990958
                1             6               8            1                0.983951
                2             6               3            6                0.958675
                2             6               9            1                0.991142
                2             6              10            1                0.994651
                3             6               4            6                0.968418
                3             6              11            1                0.998711
                3             6              12            1                0.995290
                4             6              13            1                0.997327
                4             6              14            1                0.986553
               15             6              16            6                0.959038
               15             6              19            6                0.971394
               15             6              20            1                0.998679
               15             6              21            1                0.996422
               16             6              17            6                0.950860
               16             6              22            1                0.988364
               16             6              23            1                0.994396
               17             6              18            6                0.993772
               17             6              24            1                0.994760
               17             6              25            1                0.984396
               18             6              19            6                0.975414
               18             6              26            1                0.999331
               18             6              27            1                0.985809
               19             6              28            1                0.997977
               19             6              29            1                0.992931
               30             6              31            6                0.952302
               30             6              34            6                0.959779
               30             6              35            1                0.988933
               30             6              36            1                0.994213
               31             6              32            6                0.969039
               31             6              37            1                0.996018
               31             6              38            1                0.997850
               32             6              33            6                0.991557
               32             6              39            1                0.977466
               32             6              40            1                0.997153
               33             6              34            6                0.973947
               33             6              41            1                0.990436
               33             6              42            1                0.993904
               34             6              43            1                0.993916
               34             6              44            1                0.989959
               45             6              46            6                0.977860
               45             6              49            6                0.961087
               45             6              50            1                0.986358
               45             6              51            1                1.003133
               46             6              47            6                0.961930
               46             6              52            1                0.997263
               46             6              53            1                0.989469
               47             6              48            6                0.968421
               47             6              54            1                0.998245
               47             6              55            1                0.988042
               48             6              49            6                0.972807
               48             6              56            1                0.996237
               48             6              57            1                0.984587
               49             6              58            1                0.993953
               49             6              59            1                0.989486
               60             6              61            6                0.949491
               60             6              64            6                0.973994
               60             6              65            1                1.000067
               60             6              66            1                0.993800
               61             6              62            6                0.967127
               61             6              67            1                0.987568
               61             6              68            1                0.995492
               62             6              63            6                0.963027
               62             6              69            1                0.991261
               62             6              70            1                0.989440
               63             6              64            6                0.988915
               63             6              71            1                0.983160
               63             6              72            1                0.995284
               64             6              73            1                0.984263
               64             6              74            1                0.990850
               75             6              76            6                0.975650
               75             6              79            6                0.959553
               75             6              80            1                0.996287
               75             6              81            1                0.986474
               76             6              77            6                0.970533
               76             6              82            1                0.986521
               76             6              83            1                0.997425
               77             6              78            6                0.976215
               77             6              84            1                0.991887
               77             6              85            1                0.989695
               78             6              79            6                0.954558
               78             6              86            1                0.989362
               78             6              87            1                0.993722
               79             6              88            1                0.994682
               79             6              89            1                1.006415
# -----------------------------------------------------------
$ 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     6.1705     6.0000    -0.1705     4.0092     3.6844     0.3248
  1   0     6.2002     6.0000    -0.2002     4.0299     3.6995     0.3304
  2   0     6.1084     6.0000    -0.1084     3.9648     3.6433     0.3215
  3   0     6.2146     6.0000    -0.2146     4.0165     3.6926     0.3239
  4   0     6.1522     6.0000    -0.1522     3.9889     3.6702     0.3187
  5   0     0.9112     1.0000     0.0888     0.9865     0.9342     0.0523
  6   0     0.9129     1.0000     0.0871     0.9835     0.9307     0.0528
  7   0     0.9117     1.0000     0.0883     0.9845     0.9322     0.0523
  8   0     0.9039     1.0000     0.0961     0.9884     0.9370     0.0514
  9   0     0.9415     1.0000     0.0585     1.0020     0.9471     0.0549
 10   0     0.9265     1.0000     0.0735     1.0098     0.9593     0.0505
 11   0     0.9112     1.0000     0.0888     0.9797     0.9271     0.0526
 12   0     0.9107     1.0000     0.0893     0.9863     0.9344     0.0519
 13   0     0.9219     1.0000     0.0781     0.9924     0.9414     0.0510
 14   0     0.9070     1.0000     0.0930     0.9824     0.9318     0.0506
 15   0     6.2308     6.0000    -0.2308     4.0375     3.7158     0.3217
 16   0     6.1193     6.0000    -0.1193     3.9304     3.6074     0.3230
 17   0     6.1486     6.0000    -0.1486     4.0311     3.7081     0.3230
 18   0     6.1960     6.0000    -0.1960     4.0274     3.7005     0.3269
 19   0     6.1136     6.0000    -0.1136     4.0003     3.6912     0.3091
 20   0     0.9093     1.0000     0.0907     0.9869     0.9356     0.0513
 21   0     0.9187     1.0000     0.0813     0.9804     0.9261     0.0543
 22   0     0.9388     1.0000     0.0612     0.9856     0.9277     0.0579
 23   0     0.9450     1.0000     0.0550     1.0160     0.9639     0.0521
 24   0     0.9128     1.0000     0.0872     0.9851     0.9344     0.0507
 25   0     0.9030     1.0000     0.0970     0.9902     0.9374     0.0528
 26   0     0.9221     1.0000     0.0779     0.9837     0.9267     0.0570
 27   0     0.9044     1.0000     0.0956     0.9838     0.9299     0.0539
 28   0     0.9236     1.0000     0.0764     0.9872     0.9362     0.0510
 29   0     0.9148     1.0000     0.0852     0.9901     0.9423     0.0478
 30   0     6.1396     6.0000    -0.1396     3.9897     3.6650     0.3247
 31   0     6.2267     6.0000    -0.2267     3.9865     3.6673     0.3192
 32   0     6.1332     6.0000    -0.1332     4.0134     3.6867     0.3267
 33   0     6.1752     6.0000    -0.1752     4.0136     3.6877     0.3259
 34   0     6.2081     6.0000    -0.2081     3.9981     3.6607     0.3374
 35   0     0.9174     1.0000     0.0826     0.9697     0.9158     0.0539
 36   0     0.9015     1.0000     0.0985     0.9749     0.9246     0.0503
 37   0     0.9154     1.0000     0.0846     0.9820     0.9318     0.0502
 38   0     0.9083     1.0000     0.0917     0.9770     0.9281     0.0489
 39   0     0.9020     1.0000     0.0980     0.9851     0.9316     0.0535
 40   0     0.9203     1.0000     0.0797     0.9865     0.9331     0.0534
 41   0     0.9069     1.0000     0.0931     0.9874     0.9367     0.0507
 42   0     0.9246     1.0000     0.0754     0.9831     0.9280     0.0551
 43   0     0.9098     1.0000     0.0902     0.9848     0.9300     0.0548
 44   0     0.9091     1.0000     0.0909     0.9842     0.9278     0.0564
 45   0     6.1492     6.0000    -0.1492     4.0013     3.6902     0.3111
 46   0     6.1490     6.0000    -0.1490     4.0054     3.6959     0.3095
 47   0     6.1767     6.0000    -0.1767     3.9903     3.6738     0.3165
 48   0     6.2015     6.0000    -0.2015     4.0128     3.6851     0.3277
 49   0     6.1553     6.0000    -0.1553     3.9887     3.6715     0.3172
 50   0     0.9171     1.0000     0.0829     0.9856     0.9335     0.0521
 51   0     0.9266     1.0000     0.0734     0.9915     0.9429     0.0486
 52   0     0.9270     1.0000     0.0730     0.9923     0.9424     0.0499
 53   0     0.9190     1.0000     0.0810     0.9893     0.9400     0.0493
 54   0     0.9158     1.0000     0.0842     0.9837     0.9323     0.0514
 55   0     0.9091     1.0000     0.0909     0.9838     0.9310     0.0528
 56   0     0.9169     1.0000     0.0831     0.9835     0.9298     0.0537
 57   0     0.9040     1.0000     0.0960     0.9843     0.9308     0.0535
 58   0     0.9132     1.0000     0.0868     0.9873     0.9358     0.0515
 59   0     0.9197     1.0000     0.0803     0.9874     0.9361     0.0513
 60   0     6.1865     6.0000    -0.1865     3.9951     3.6655     0.3296
 61   0     6.1868     6.0000    -0.1868     3.9707     3.6405     0.3302
 62   0     6.1956     6.0000    -0.1956     4.0057     3.6753     0.3304
 63   0     6.1488     6.0000    -0.1488     3.9939     3.6735     0.3204
 64   0     6.1660     6.0000    -0.1660     4.0257     3.7030     0.3227
 65   0     0.9107     1.0000     0.0893     0.9863     0.9356     0.0507
 66   0     0.9078     1.0000     0.0922     0.9857     0.9345     0.0512
 67   0     0.9145     1.0000     0.0855     0.9764     0.9230     0.0534
 68   0     0.9135     1.0000     0.0865     0.9834     0.9300     0.0534
 69   0     0.9219     1.0000     0.0781     0.9793     0.9235     0.0558
 70   0     0.9053     1.0000     0.0947     0.9786     0.9258     0.0528
 71   0     0.9029     1.0000     0.0971     0.9788     0.9281     0.0507
 72   0     0.9215     1.0000     0.0785     0.9848     0.9318     0.0530
 73   0     0.9067     1.0000     0.0933     0.9882     0.9367     0.0515
 74   0     0.9082     1.0000     0.0918     0.9838     0.9322     0.0516
 75   0     6.1373     6.0000    -0.1373     4.0065     3.6952     0.3113
 76   0     6.1761     6.0000    -0.1761     4.0164     3.6965     0.3199
 77   0     6.1759     6.0000    -0.1759     4.0028     3.6805     0.3223
 78   0     6.1454     6.0000    -0.1454     3.9943     3.6807     0.3136
 79   0     6.1844     6.0000    -0.1844     3.9686     3.6477     0.3209
 80   0     0.9208     1.0000     0.0792     0.9882     0.9382     0.0500
 81   0     0.9090     1.0000     0.0910     0.9923     0.9445     0.0478
 82   0     0.9063     1.0000     0.0937     0.9872     0.9365     0.0507
 83   0     0.9158     1.0000     0.0842     0.9887     0.9390     0.0497
 84   0     0.9164     1.0000     0.0836     0.9898     0.9392     0.0506
 85   0     0.9159     1.0000     0.0841     0.9853     0.9323     0.0530
 86   0     0.9187     1.0000     0.0813     0.9917     0.9421     0.0496
 87   0     0.9194     1.0000     0.0806     0.9857     0.9340     0.0517
 88   0     0.9249     1.0000     0.0751     0.9839     0.9304     0.0535
 89   0     0.9342     1.0000     0.0658     0.9920     0.9381     0.0539
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.911107
                0             6               4            6                0.909116
                0             6               5            1                0.950262
                0             6               6            1                0.953708
                1             6               2            6                0.907687
                1             6               7            1                0.948919
                1             6               8            1                0.942743
                2             6               3            6                0.895394
                2             6               9            1                0.947839
                2             6              10            1                0.954974
                3             6               4            6                0.906022
                3             6              11            1                0.956584
                3             6              12            1                0.954074
                4             6              13            1                0.957134
                4             6              14            1                0.946740
               15             6              16            6                0.898932
               15             6              19            6                0.908337
               15             6              20            1                0.957572
               15             6              21            1                0.952793
               16             6              17            6                0.887372
               16             6              22            1                0.941011
               16             6              23            1                0.955057
               17             6              18            6                0.929261
               17             6              24            1                0.954187
               17             6              25            1                0.942291
               18             6              19            6                0.915260
               18             6              26            1                0.953141
               18             6              27            1                0.942596
               19             6              28            1                0.957387
               19             6              29            1                0.955704
               30             6              31            6                0.892576
               30             6              34            6                0.896649
               30             6              35            1                0.945134
               30             6              36            1                0.952954
               31             6              32            6                0.904664
               31             6              37            1                0.956322
               31             6              38            1                0.959535
               32             6              33            6                0.926829
               32             6              39            1                0.935017
               32             6              40            1                0.954048
               33             6              34            6                0.906575
               33             6              41            1                0.950512
               33             6              42            1                0.949833
               34             6              43            1                0.949778
               34             6              44            1                0.945049
               45             6              46            6                0.914619
               45             6              49            6                0.900883
               45             6              50            1                0.945343
               45             6              51            1                0.965290
               46             6              47            6                0.901918
               46             6              52            1                0.958541
               46             6              53            1                0.951032
               47             6              48            6                0.906601
               47             6              54            1                0.957279
               47             6              55            1                0.946139
               48             6              49            6                0.907423
               48             6              56            1                0.953241
               48             6              57            1                0.941862
               49             6              58            1                0.953069
               49             6              59            1                0.949324
               60             6              61            6                0.883525
               60             6              64            6                0.907024
               60             6              65            1                0.959636
               60             6              66            1                0.953058
               61             6              62            6                0.904137
               61             6              67            1                0.945547
               61             6              68            1                0.952742
               62             6              63            6                0.900697
               62             6              69            1                0.945433
               62             6              70            1                0.946746
               63             6              64            6                0.926379
               63             6              71            1                0.943074
               63             6              72            1                0.953101
               64             6              73            1                0.943494
               64             6              74            1                0.949819
               75             6              76            6                0.911256
               75             6              79            6                0.898899
               75             6              80            1                0.956624
               75             6              81            1                0.949219
               76             6              77            6                0.905931
               76             6              82            1                0.946662
               76             6              83            1                0.958345
               77             6              78            6                0.913020
               77             6              84            1                0.952216
               77             6              85            1                0.947529
               78             6              79            6                0.893125
               78             6              86            1                0.950509
               78             6              87            1                0.952739
               79             6              88            1                0.952383
               79             6              89            1                0.963687
# -----------------------------------------------------------
$ 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     6.2175     6.0000    -0.2175     3.9857     3.6649     0.3208
  1   0     6.2470     6.0000    -0.2470     4.0190     3.6932     0.3258
  2   0     6.1768     6.0000    -0.1768     3.9654     3.6479     0.3175
  3   0     6.2559     6.0000    -0.2559     3.9935     3.6739     0.3196
  4   0     6.2079     6.0000    -0.2079     3.9719     3.6570     0.3149
  5   0     0.8856     1.0000     0.1144     0.9780     0.9269     0.0511
  6   0     0.8893     1.0000     0.1107     0.9764     0.9246     0.0518
  7   0     0.8876     1.0000     0.1124     0.9772     0.9260     0.0512
  8   0     0.8799     1.0000     0.1201     0.9807     0.9304     0.0503
  9   0     0.9118     1.0000     0.0882     0.9925     0.9390     0.0535
 10   0     0.8975     1.0000     0.1025     0.9994     0.9502     0.0492
 11   0     0.8862     1.0000     0.1138     0.9710     0.9194     0.0516
 12   0     0.8845     1.0000     0.1155     0.9771     0.9263     0.0508
 13   0     0.8938     1.0000     0.1062     0.9816     0.9318     0.0498
 14   0     0.8832     1.0000     0.1168     0.9755     0.9259     0.0496
 15   0     6.2654     6.0000    -0.2654     4.0037     3.6868     0.3169
 16   0     6.1936     6.0000    -0.1936     3.9371     3.6188     0.3183
 17   0     6.1996     6.0000    -0.1996     4.0124     3.6935     0.3189
 18   0     6.2331     6.0000    -0.2331     4.0021     3.6800     0.3221
 19   0     6.1790     6.0000    -0.1790     3.9833     3.6778     0.3055
 20   0     0.8824     1.0000     0.1176     0.9792     0.9292     0.0500
 21   0     0.8950     1.0000     0.1050     0.9746     0.9214     0.0532
 22   0     0.9063     1.0000     0.0937     0.9754     0.9190     0.0564
 23   0     0.9110     1.0000     0.0890     1.0081     0.9575     0.0506
 24   0     0.8887     1.0000     0.1113     0.9772     0.9275     0.0497
 25   0     0.8816     1.0000     0.1184     0.9853     0.9335     0.0518
 26   0     0.8979     1.0000     0.1021     0.9759     0.9199     0.0560
 27   0     0.8833     1.0000     0.1167     0.9781     0.9251     0.0530
 28   0     0.8957     1.0000     0.1043     0.9774     0.9275     0.0499
 29   0     0.8890     1.0000     0.1110     0.9832     0.9365     0.0467
 30   0     6.2041     6.0000    -0.2041     3.9697     3.6494     0.3203
 31   0     6.2852     6.0000    -0.2852     3.9622     3.6475     0.3147
 32   0     6.1826     6.0000    -0.1826     3.9832     3.6605     0.3227
 33   0     6.2240     6.0000    -0.2240     3.9956     3.6741     0.3215
 34   0     6.2521     6.0000    -0.2521     3.9859     3.6534     0.3325
 35   0     0.8847     1.0000     0.1153     0.9642     0.9119     0.0523
 36   0     0.8771     1.0000     0.1229     0.9668     0.9177     0.0491
 37   0     0.8874     1.0000     0.1126     0.9737     0.9248     0.0489
 38   0     0.8750     1.0000     0.1250     0.9668     0.9193     0.0475
 39   0     0.8778     1.0000     0.1222     0.9808     0.9285     0.0523
 40   0     0.8965     1.0000     0.1035     0.9807     0.9284     0.0523
 41   0     0.8843     1.0000     0.1157     0.9814     0.9318     0.0496
 42   0     0.8983     1.0000     0.1017     0.9760     0.9221     0.0539
 43   0     0.8871     1.0000     0.1129     0.9776     0.9239     0.0537
 44   0     0.8828     1.0000     0.1172     0.9803     0.9252     0.0551
 45   0     6.2016     6.0000    -0.2016     3.9756     3.6684     0.3072
 46   0     6.2085     6.0000    -0.2085     3.9842     3.6782     0.3060
 47   0     6.2265     6.0000    -0.2265     3.9772     3.6648     0.3124
 48   0     6.2446     6.0000    -0.2446     3.9948     3.6713     0.3235
 49   0     6.2076     6.0000    -0.2076     3.9737     3.6603     0.3134
 50   0     0.8910     1.0000     0.1090     0.9781     0.9271     0.0510
 51   0     0.8994     1.0000     0.1006     0.9837     0.9361     0.0476
 52   0     0.8972     1.0000     0.1028     0.9844     0.9357     0.0487
 53   0     0.8925     1.0000     0.1075     0.9805     0.9322     0.0483
 54   0     0.8894     1.0000     0.1106     0.9750     0.9247     0.0503
 55   0     0.8846     1.0000     0.1154     0.9753     0.9235     0.0518
 56   0     0.8920     1.0000     0.1080     0.9750     0.9224     0.0526
 57   0     0.8815     1.0000     0.1185     0.9768     0.9243     0.0525
 58   0     0.8886     1.0000     0.1114     0.9801     0.9297     0.0504
 59   0     0.8954     1.0000     0.1046     0.9796     0.9293     0.0503
 60   0     6.2378     6.0000    -0.2378     3.9728     3.6471     0.3257
 61   0     6.2350     6.0000    -0.2350     3.9580     3.6325     0.3255
 62   0     6.2417     6.0000    -0.2417     3.9883     3.6626     0.3257
 63   0     6.2086     6.0000    -0.2086     3.9799     3.6636     0.3163
 64   0     6.2082     6.0000    -0.2082     4.0026     3.6841     0.3185
 65   0     0.8879     1.0000     0.1121     0.9784     0.9287     0.0497
 66   0     0.8817     1.0000     0.1183     0.9790     0.9290     0.0500
 67   0     0.8864     1.0000     0.1136     0.9712     0.9193     0.0519
 68   0     0.8899     1.0000     0.1101     0.9748     0.9225     0.0523
 69   0     0.8893     1.0000     0.1107     0.9692     0.9150     0.0542
 70   0     0.8819     1.0000     0.1181     0.9706     0.9189     0.0517
 71   0     0.8793     1.0000     0.1207     0.9739     0.9243     0.0496
 72   0     0.8942     1.0000     0.1058     0.9748     0.9230     0.0518
 73   0     0.8855     1.0000     0.1145     0.9820     0.9315     0.0505
 74   0     0.8867     1.0000     0.1133     0.9772     0.9266     0.0506
 75   0     6.1911     6.0000    -0.1911     3.9838     3.6762     0.3076
 76   0     6.2260     6.0000    -0.2260     3.9968     3.6806     0.3162
 77   0     6.2249     6.0000    -0.2249     3.9836     3.6653     0.3183
 78   0     6.1975     6.0000    -0.1975     3.9682     3.6585     0.3097
 79   0     6.2409     6.0000    -0.2409     3.9392     3.6224     0.3168
 80   0     0.8952     1.0000     0.1048     0.9815     0.9325     0.0490
 81   0     0.8862     1.0000     0.1138     0.9859     0.9391     0.0468
 82   0     0.8833     1.0000     0.1167     0.9803     0.9306     0.0497
 83   0     0.8895     1.0000     0.1105     0.9797     0.9311     0.0486
 84   0     0.8921     1.0000     0.1079     0.9826     0.9330     0.0496
 85   0     0.8907     1.0000     0.1093     0.9774     0.9255     0.0519
 86   0     0.8927     1.0000     0.1073     0.9840     0.9355     0.0485
 87   0     0.8945     1.0000     0.1055     0.9792     0.9285     0.0507
 88   0     0.8972     1.0000     0.1028     0.9764     0.9241     0.0523
 89   0     0.8984     1.0000     0.1016     0.9818     0.9294     0.0524
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.920654
                0             6               4            6                0.912600
                0             6               5            1                0.936623
                0             6               6            1                0.940118
                1             6               2            6                0.915384
                1             6               7            1                0.936481
                1             6               8            1                0.931612
                2             6               3            6                0.907893
                2             6               9            1                0.936418
                2             6              10            1                0.944082
                3             6               4            6                0.914268
                3             6              11            1                0.941675
                3             6              12            1                0.939101
                4             6              13            1                0.943721
                4             6              14            1                0.935400
               15             6              16            6                0.914224
               15             6              19            6                0.907781
               15             6              20            1                0.944290
               15             6              21            1                0.937366
               16             6              17            6                0.896278
               16             6              22            1                0.924777
               16             6              23            1                0.944331
               17             6              18            6                0.935659
               17             6              24            1                0.942133
               17             6              25            1                0.927726
               18             6              19            6                0.926098
               18             6              26            1                0.936229
               18             6              27            1                0.928651
               19             6              28            1                0.943875
               19             6              29            1                0.944976
               30             6              31            6                0.891958
               30             6              34            6                0.906075
               30             6              35            1                0.933227
               30             6              36            1                0.938109
               31             6              32            6                0.905336
               31             6              37            1                0.941390
               31             6              38            1                0.950842
               32             6              33            6                0.931817
               32             6              39            1                0.922580
               32             6              40            1                0.941161
               33             6              34            6                0.913837
               33             6              41            1                0.939480
               33             6              42            1                0.937775
               34             6              43            1                0.934570
               34             6              44            1                0.930743
               45             6              46            6                0.914755
               45             6              49            6                0.908367
               45             6              50            1                0.933125
               45             6              51            1                0.956373
               46             6              47            6                0.909882
               46             6              52            1                0.948445
               46             6              53            1                0.940501
               47             6              48            6                0.916830
               47             6              54            1                0.945856
               47             6              55            1                0.932048
               48             6              49            6                0.915091
               48             6              56            1                0.940657
               48             6              57            1                0.928880
               49             6              58            1                0.942275
               49             6              59            1                0.936941
               60             6              61            6                0.890802
               60             6              64            6                0.909119
               60             6              65            1                0.947122
               60             6              66            1                0.940385
               61             6              62            6                0.913447
               61             6              67            1                0.932837
               61             6              68            1                0.940164
               62             6              63            6                0.907282
               62             6              69            1                0.928228
               62             6              70            1                0.935134
               63             6              64            6                0.934932
               63             6              71            1                0.933569
               63             6              72            1                0.937204
               64             6              73            1                0.932515
               64             6              74            1                0.937158
               75             6              76            6                0.912518
               75             6              79            6                0.903486
               75             6              80            1                0.946999
               75             6              81            1                0.940030
               76             6              77            6                0.916467
               76             6              82            1                0.934813
               76             6              83            1                0.948540
               77             6              78            6                0.915244
               77             6              84            1                0.941024
               77             6              85            1                0.935148
               78             6              79            6                0.897231
               78             6              86            1                0.940498
               78             6              87            1                0.941715
               79             6              88            1                0.938889
               79             6              89            1                0.952362
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1784520501
        Correlation Energy:       -5.0629223574
        Total MP2 Energy:      -1176.2413744075
# -----------------------------------------------------------
$ 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) :        0.4084730351
        Electronic Contribution:
                  0    
      0       0.047343
      1      -1.017504
      2       0.524902
        Nuclear Contribution:
                  0    
      0      -0.200835
      1       0.980074
      2      -0.554304
        Total Dipole moment:
                  0    
      0      -0.153492
      1      -0.037430
      2      -0.029402
# -----------------------------------------------------------
$ 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) :        0.4105290425
        Electronic Contribution:
                  0    
      0       0.046367
      1      -1.016666
      2       0.524526
        Nuclear Contribution:
                  0    
      0      -0.200835
      1       0.980074
      2      -0.554304
        Total Dipole moment:
                  0    
      0      -0.154468
      1      -0.036592
      2      -0.029778
# -----------------------------------------------------------
$ 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) :        0.3703623170
        Electronic Contribution:
                  0    
      0       0.058906
      1      -0.987328
      2       0.522139
        Nuclear Contribution:
                  0    
      0      -0.200835
      1       0.980074
      2      -0.554304
        Total Dipole moment:
                  0    
      0      -0.141929
      1      -0.007254
      2      -0.032165
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     15.460000000000   14.890000000000   16.790000000000
               1 C     16.820000000000   14.470000000000   16.130000000000
               2 C     17.790000000000   15.680000000000   16.430000000000
               3 C     17.030000000000   16.700000000000   17.320000000000
               4 C     15.700000000000   16.060000000000   17.790000000000
               5 H     14.970000000000   14.150000000000   17.420000000000
               6 H     14.730000000000   15.240000000000   16.030000000000
               7 H     16.670000000000   14.430000000000   15.040000000000
               8 H     17.070000000000   13.490000000000   16.550000000000
               9 H     18.030000000000   16.230000000000   15.500000000000
              10 H     18.660000000000   15.340000000000   16.920000000000
              11 H     16.840000000000   17.650000000000   16.810000000000
              12 H     17.690000000000   17.060000000000   18.100000000000
              13 H     14.850000000000   16.680000000000   17.640000000000
              14 H     15.730000000000   15.850000000000   18.850000000000
              15 C     22.130000000000   16.480000000000   13.080000000000
              16 C     20.940000000000   16.630000000000   13.970000000000
              17 C     19.980000000000   17.650000000000   13.310000000000
              18 C     20.440000000000   17.610000000000   11.810000000000
              19 C     21.750000000000   16.920000000000   11.660000000000
              20 H     22.440000000000   15.460000000000   12.950000000000
              21 H     22.980000000000   17.110000000000   13.460000000000
              22 H     21.310000000000   17.110000000000   14.960000000000
              23 H     20.540000000000   15.700000000000   14.180000000000
              24 H     20.230000000000   18.610000000000   13.730000000000
              25 H     18.930000000000   17.370000000000   13.580000000000
              26 H     20.670000000000   18.700000000000   11.500000000000
              27 H     19.690000000000   17.150000000000   11.090000000000
              28 H     22.500000000000   17.620000000000   11.340000000000
              29 H     21.750000000000   16.120000000000   11.010000000000
              30 C     22.340000000000   14.640000000000   16.520000000000
              31 C     21.730000000000   15.620000000000   17.470000000000
              32 C     22.780000000000   16.640000000000   18.020000000000
              33 C     24.050000000000   16.380000000000   17.160000000000
              34 C     23.780000000000   15.150000000000   16.210000000000
              35 H     21.700000000000   14.600000000000   15.620000000000
              36 H     22.400000000000   13.640000000000   16.960000000000
              37 H     21.210000000000   15.130000000000   18.230000000000
              38 H     20.940000000000   16.120000000000   17.090000000000
              39 H     22.920000000000   16.540000000000   19.150000000000
              40 H     22.400000000000   17.620000000000   17.670000000000
              41 H     24.950000000000   16.150000000000   17.700000000000
              42 H     24.160000000000   17.250000000000   16.460000000000
              43 H     24.630000000000   14.430000000000   16.450000000000
              44 H     23.910000000000   15.520000000000   15.140000000000
              45 C     24.090000000000   17.340000000000   24.000000000000
              46 C     24.300000000000   16.370000000000   22.810000000000
              47 C     25.780000000000   16.070000000000   22.740000000000
              48 C     26.460000000000   16.750000000000   23.940000000000
              49 C     25.330000000000   17.400000000000   24.840000000000
              50 H     23.200000000000   17.040000000000   24.580000000000
              51 H     23.990000000000   18.300000000000   23.670000000000
              52 H     24.000000000000   16.780000000000   21.900000000000
              53 H     23.630000000000   15.590000000000   22.990000000000
              54 H     26.210000000000   16.480000000000   21.840000000000
              55 H     25.960000000000   14.980000000000   22.610000000000
              56 H     27.090000000000   17.600000000000   23.600000000000
              57 H     27.170000000000   16.040000000000   24.460000000000
              58 H     25.460000000000   18.460000000000   25.090000000000
              59 H     25.270000000000   16.790000000000   25.730000000000
              60 C     18.390000000000   11.410000000000   14.490000000000
              61 C     19.600000000000   12.420000000000   14.580000000000
              62 C     20.430000000000   12.120000000000   15.850000000000
              63 C     19.610000000000   11.070000000000   16.630000000000
              64 C     18.510000000000   10.450000000000   15.770000000000
              65 H     18.510000000000   10.940000000000   13.530000000000
              66 H     17.500000000000   12.000000000000   14.420000000000
              67 H     19.290000000000   13.460000000000   14.600000000000
              68 H     20.110000000000   12.250000000000   13.610000000000
              69 H     20.540000000000   13.060000000000   16.500000000000
              70 H     21.460000000000   11.760000000000   15.610000000000
              71 H     19.260000000000   11.400000000000   17.600000000000
              72 H     20.280000000000   10.230000000000   16.810000000000
              73 H     17.590000000000   10.400000000000   16.370000000000
              74 H     18.800000000000    9.510000000000   15.290000000000
              75 C     28.570000000000   15.970000000000   14.160000000000
              76 C     29.380000000000   16.590000000000   12.960000000000
              77 C     28.760000000000   16.060000000000   11.600000000000
              78 C     27.460000000000   15.320000000000   11.920000000000
              79 C     27.540000000000   15.150000000000   13.430000000000
              80 H     28.040000000000   16.760000000000   14.650000000000
              81 H     29.100000000000   15.350000000000   14.810000000000
              82 H     30.450000000000   16.430000000000   12.920000000000
              83 H     29.210000000000   17.620000000000   13.010000000000
              84 H     29.340000000000   15.330000000000   11.080000000000
              85 H     28.450000000000   16.860000000000   10.900000000000
              86 H     27.450000000000   14.370000000000   11.450000000000
              87 H     26.540000000000   15.890000000000   11.760000000000
              88 H     27.660000000000   14.110000000000   13.750000000000
              89 H     26.550000000000   15.380000000000   13.820000000000
