-------------------------------------------------------------
----------------------- !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:    -1171.1904013750
# -----------------------------------------------------------
$ 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     6.2243     6.0000    -0.2243     3.8653     3.8653     0.0000
  1   0     6.1953     6.0000    -0.1953     3.9341     3.9341    -0.0000
  2   0     6.0676     6.0000    -0.0676     3.8879     3.8879    -0.0000
  3   0     6.2170     6.0000    -0.2170     3.8543     3.8543     0.0000
  4   0     6.1087     6.0000    -0.1087     3.9260     3.9260     0.0000
  5   0     0.9114     1.0000     0.0886     0.9670     0.9670    -0.0000
  6   0     0.9053     1.0000     0.0947     0.9728     0.9728     0.0000
  7   0     0.9107     1.0000     0.0893     0.9740     0.9740    -0.0000
  8   0     0.9064     1.0000     0.0936     0.9712     0.9712    -0.0000
  9   0     0.9409     1.0000     0.0591     0.9892     0.9892     0.0000
 10   0     0.9207     1.0000     0.0793     0.9640     0.9640     0.0000
 11   0     0.9211     1.0000     0.0789     0.9767     0.9767    -0.0000
 12   0     0.9337     1.0000     0.0663     0.9834     0.9834    -0.0000
 13   0     0.9056     1.0000     0.0944     0.9637     0.9637     0.0000
 14   0     0.9288     1.0000     0.0712     0.9778     0.9778    -0.0000
 15   0     6.1539     6.0000    -0.1539     3.8619     3.8619     0.0000
 16   0     6.2222     6.0000    -0.2222     3.8582     3.8582    -0.0000
 17   0     6.1717     6.0000    -0.1717     3.8790     3.8790     0.0000
 18   0     6.1401     6.0000    -0.1401     3.9029     3.9029    -0.0000
 19   0     6.1716     6.0000    -0.1716     3.8958     3.8958    -0.0000
 20   0     0.9339     1.0000     0.0661     0.9849     0.9849    -0.0000
 21   0     0.9074     1.0000     0.0926     0.9722     0.9722    -0.0000
 22   0     0.9028     1.0000     0.0972     0.9715     0.9715    -0.0000
 23   0     0.9059     1.0000     0.0941     0.9681     0.9681    -0.0000
 24   0     0.9066     1.0000     0.0934     0.9734     0.9734    -0.0000
 25   0     0.9137     1.0000     0.0863     0.9734     0.9734    -0.0000
 26   0     0.9158     1.0000     0.0842     0.9765     0.9765    -0.0000
 27   0     0.9151     1.0000     0.0849     0.9785     0.9785    -0.0000
 28   0     0.9202     1.0000     0.0798     0.9774     0.9774    -0.0000
 29   0     0.9169     1.0000     0.0831     0.9769     0.9769     0.0000
 30   0     6.1468     6.0000    -0.1468     3.8826     3.8826     0.0000
 31   0     6.1534     6.0000    -0.1534     3.8651     3.8651    -0.0000
 32   0     6.1615     6.0000    -0.1615     3.9119     3.9119    -0.0000
 33   0     6.1417     6.0000    -0.1417     3.9041     3.9041    -0.0000
 34   0     6.1669     6.0000    -0.1669     3.9175     3.9175    -0.0000
 35   0     0.9229     1.0000     0.0771     0.9727     0.9727    -0.0000
 36   0     0.9377     1.0000     0.0623     0.9909     0.9909    -0.0000
 37   0     0.9539     1.0000     0.0461     0.9754     0.9754    -0.0000
 38   0     0.9048     1.0000     0.0952     0.9750     0.9750    -0.0000
 39   0     0.9119     1.0000     0.0881     0.9833     0.9833    -0.0000
 40   0     0.9179     1.0000     0.0821     0.9751     0.9751    -0.0000
 41   0     0.9081     1.0000     0.0919     0.9756     0.9756    -0.0000
 42   0     0.9223     1.0000     0.0777     0.9750     0.9750    -0.0000
 43   0     0.9403     1.0000     0.0597     0.9807     0.9807    -0.0000
 44   0     0.9085     1.0000     0.0915     0.9757     0.9757     0.0000
 45   0     6.2322     6.0000    -0.2322     3.8652     3.8652    -0.0000
 46   0     6.1601     6.0000    -0.1601     3.8692     3.8692    -0.0000
 47   0     6.1520     6.0000    -0.1520     3.8968     3.8968     0.0000
 48   0     6.1481     6.0000    -0.1481     3.9257     3.9257    -0.0000
 49   0     6.1209     6.0000    -0.1209     3.8858     3.8858    -0.0000
 50   0     0.9127     1.0000     0.0873     0.9709     0.9709    -0.0000
 51   0     0.9263     1.0000     0.0737     0.9723     0.9723     0.0000
 52   0     0.9164     1.0000     0.0836     0.9753     0.9753    -0.0000
 53   0     0.9167     1.0000     0.0833     0.9801     0.9801    -0.0000
 54   0     0.9171     1.0000     0.0829     0.9796     0.9796    -0.0000
 55   0     0.9146     1.0000     0.0854     0.9723     0.9723    -0.0000
 56   0     0.9069     1.0000     0.0931     0.9713     0.9713     0.0000
 57   0     0.9275     1.0000     0.0725     0.9835     0.9835    -0.0000
 58   0     0.9279     1.0000     0.0721     0.9792     0.9792    -0.0000
 59   0     0.9179     1.0000     0.0821     0.9781     0.9781    -0.0000
 60   0     6.2327     6.0000    -0.2327     3.9262     3.9262    -0.0000
 61   0     6.1095     6.0000    -0.1095     3.8679     3.8679    -0.0000
 62   0     6.1950     6.0000    -0.1950     3.9181     3.9181    -0.0000
 63   0     6.1567     6.0000    -0.1567     3.9075     3.9075     0.0000
 64   0     6.1041     6.0000    -0.1041     3.8872     3.8872     0.0000
 65   0     0.9136     1.0000     0.0864     0.9760     0.9760    -0.0000
 66   0     0.9165     1.0000     0.0835     0.9829     0.9829    -0.0000
 67   0     0.9111     1.0000     0.0889     0.9741     0.9741    -0.0000
 68   0     0.9299     1.0000     0.0701     0.9799     0.9799     0.0000
 69   0     0.9109     1.0000     0.0891     0.9748     0.9748    -0.0000
 70   0     0.9234     1.0000     0.0766     0.9721     0.9721    -0.0000
 71   0     0.9248     1.0000     0.0752     0.9798     0.9798     0.0000
 72   0     0.9038     1.0000     0.0962     0.9716     0.9716     0.0000
 73   0     0.9072     1.0000     0.0928     0.9717     0.9717    -0.0000
 74   0     0.9697     1.0000     0.0303     1.0017     1.0017     0.0000
 75   0     6.1875     6.0000    -0.1875     3.9089     3.9089    -0.0000
 76   0     6.0783     6.0000    -0.0783     3.8624     3.8624     0.0000
 77   0     6.2246     6.0000    -0.2246     3.9208     3.9208    -0.0000
 78   0     6.1331     6.0000    -0.1331     3.8720     3.8720    -0.0000
 79   0     6.1683     6.0000    -0.1683     3.8761     3.8761     0.0000
 80   0     0.9253     1.0000     0.0747     0.9798     0.9798    -0.0000
 81   0     0.9085     1.0000     0.0915     0.9730     0.9730    -0.0000
 82   0     0.9296     1.0000     0.0704     0.9919     0.9919    -0.0000
 83   0     0.9222     1.0000     0.0778     0.9777     0.9777     0.0000
 84   0     0.9187     1.0000     0.0813     0.9742     0.9742    -0.0000
 85   0     0.9092     1.0000     0.0908     0.9754     0.9754    -0.0000
 86   0     0.9239     1.0000     0.0761     0.9776     0.9776     0.0000
 87   0     0.9219     1.0000     0.0781     0.9787     0.9787    -0.0000
 88   0     0.9281     1.0000     0.0719     0.9770     0.9770     0.0000
 89   0     0.9201     1.0000     0.0799     0.9713     0.9713     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                0.965629
                0             6               4            6                0.980564
                0             6               5            1                0.995614
                0             6               6            1                0.993352
                1             6               2            6                0.982328
                1             6               7            1                0.997847
                1             6               8            1                0.988438
                2             6               3            6                0.945396
                2             6               9            1                1.012680
                2             6              10            1                0.981536
                3             6               4            6                0.967177
                3             6              11            1                1.004730
                3             6              12            1                0.992544
                4             6              13            1                0.992831
                4             6              14            1                0.986150
               15             6              16            6                0.950169
               15             6              19            6                0.966271
               15             6              20            1                0.997252
               15             6              21            1                0.986026
               16             6              17            6                0.952387
               16             6              22            1                0.987230
               16             6              23            1                0.997238
               17             6              18            6                0.976753
               17             6              24            1                0.990626
               17             6              25            1                0.992103
               18             6              19            6                0.974310
               18             6              26            1                0.993143
               18             6              27            1                0.988163
               19             6              28            1                0.995381
               19             6              29            1                0.991580
               30             6              31            6                0.956547
               30             6              34            6                0.963554
               30             6              35            1                0.991012
               30             6              36            1                1.005398
               31             6              32            6                0.960213
               31             6              37            1                1.000914
               31             6              38            1                0.987994
               32             6              33            6                0.978235
               32             6              39            1                0.994022
               32             6              40            1                0.992511
               33             6              34            6                0.980463
               33             6              41            1                0.987166
               33             6              42            1                0.994193
               34             6              43            1                0.996646
               34             6              44            1                0.989864
               45             6              46            6                0.959077
               45             6              49            6                0.948939
               45             6              50            1                0.989339
               45             6              51            1                1.000598
               46             6              47            6                0.962379
               46             6              52            1                0.997971
               46             6              53            1                0.986300
               47             6              48            6                0.983919
               47             6              54            1                0.997431
               47             6              55            1                0.986339
               48             6              49            6                0.986241
               48             6              56            1                0.981737
               48             6              57            1                0.992387
               49             6              58            1                1.001105
               49             6              59            1                0.997226
               60             6              61            6                0.972964
               60             6              64            6                0.984247
               60             6              65            1                0.990320
               60             6              66            1                0.993220
               61             6              62            6                0.973666
               61             6              67            1                0.986668
               61             6              68            1                0.997638
               62             6              63            6                0.978191
               62             6              69            1                0.994461
               62             6              70            1                1.000897
               63             6              64            6                0.960387
               63             6              71            1                0.995952
               63             6              72            1                0.995641
               64             6              73            1                0.977845
               64             6              74            1                0.994600
               75             6              76            6                0.968025
               75             6              79            6                0.967150
               75             6              80            1                0.996159
               75             6              81            1                0.988754
               76             6              77            6                0.968372
               76             6              82            1                0.988922
               76             6              83            1                0.989136
               77             6              78            6                0.969933
               77             6              84            1                0.995863
               77             6              85            1                0.988602
               78             6              79            6                0.959146
               78             6              86            1                0.995310
               78             6              87            1                0.991736
               79             6              88            1                0.993421
               79             6              89            1                0.995772
# -----------------------------------------------------------
$ 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     6.2327     6.0000    -0.2327     3.9836     3.6491     0.3345
  1   0     6.2039     6.0000    -0.2039     4.0474     3.7186     0.3288
  2   0     6.0751     6.0000    -0.0751     3.9922     3.6715     0.3207
  3   0     6.2252     6.0000    -0.2252     3.9741     3.6406     0.3335
  4   0     6.1168     6.0000    -0.1168     4.0327     3.7147     0.3180
  5   0     0.9074     1.0000     0.0926     0.9763     0.9235     0.0528
  6   0     0.9012     1.0000     0.0988     0.9817     0.9302     0.0515
  7   0     0.9065     1.0000     0.0935     0.9828     0.9329     0.0499
  8   0     0.9024     1.0000     0.0976     0.9803     0.9269     0.0534
  9   0     0.9375     1.0000     0.0625     1.0007     0.9459     0.0548
 10   0     0.9172     1.0000     0.0828     0.9753     0.9224     0.0529
 11   0     0.9163     1.0000     0.0837     0.9856     0.9318     0.0538
 12   0     0.9302     1.0000     0.0698     0.9943     0.9400     0.0543
 13   0     0.9013     1.0000     0.0987     0.9727     0.9215     0.0512
 14   0     0.9248     1.0000     0.0752     0.9881     0.9367     0.0514
 15   0     6.1612     6.0000    -0.1612     3.9722     3.6429     0.3293
 16   0     6.2305     6.0000    -0.2305     3.9768     3.6391     0.3377
 17   0     6.1791     6.0000    -0.1791     3.9902     3.6625     0.3277
 18   0     6.1478     6.0000    -0.1478     4.0099     3.6952     0.3147
 19   0     6.1791     6.0000    -0.1791     4.0051     3.6840     0.3211
 20   0     0.9305     1.0000     0.0695     0.9956     0.9409     0.0547
 21   0     0.9035     1.0000     0.0965     0.9813     0.9284     0.0529
 22   0     0.8989     1.0000     0.1011     0.9804     0.9289     0.0515
 23   0     0.9021     1.0000     0.0979     0.9771     0.9212     0.0559
 24   0     0.9027     1.0000     0.0973     0.9825     0.9309     0.0516
 25   0     0.9101     1.0000     0.0899     0.9832     0.9301     0.0531
 26   0     0.9119     1.0000     0.0881     0.9860     0.9362     0.0498
 27   0     0.9113     1.0000     0.0887     0.9878     0.9378     0.0500
 28   0     0.9164     1.0000     0.0836     0.9870     0.9355     0.0515
 29   0     0.9132     1.0000     0.0868     0.9865     0.9353     0.0512
 30   0     6.1544     6.0000    -0.1544     3.9903     3.6716     0.3187
 31   0     6.1613     6.0000    -0.1613     3.9750     3.6570     0.3180
 32   0     6.1699     6.0000    -0.1699     4.0214     3.7021     0.3193
 33   0     6.1491     6.0000    -0.1491     4.0102     3.6959     0.3143
 34   0     6.1747     6.0000    -0.1747     4.0255     3.7035     0.3220
 35   0     0.9189     1.0000     0.0811     0.9825     0.9293     0.0532
 36   0     0.9341     1.0000     0.0659     1.0013     0.9499     0.0514
 37   0     0.9499     1.0000     0.0501     0.9863     0.9289     0.0574
 38   0     0.9006     1.0000     0.0994     0.9836     0.9355     0.0481
 39   0     0.9080     1.0000     0.0920     0.9922     0.9422     0.0500
 40   0     0.9140     1.0000     0.0860     0.9847     0.9337     0.0510
 41   0     0.9043     1.0000     0.0957     0.9847     0.9363     0.0484
 42   0     0.9183     1.0000     0.0817     0.9846     0.9324     0.0522
 43   0     0.9365     1.0000     0.0635     0.9909     0.9340     0.0569
 44   0     0.9045     1.0000     0.0955     0.9845     0.9360     0.0485
 45   0     6.2404     6.0000    -0.2404     3.9821     3.6519     0.3302
 46   0     6.1666     6.0000    -0.1666     3.9777     3.6546     0.3231
 47   0     6.1604     6.0000    -0.1604     4.0069     3.6865     0.3204
 48   0     6.1557     6.0000    -0.1557     4.0314     3.7146     0.3168
 49   0     6.1287     6.0000    -0.1287     3.9921     3.6789     0.3132
 50   0     0.9090     1.0000     0.0910     0.9804     0.9295     0.0509
 51   0     0.9223     1.0000     0.0777     0.9818     0.9276     0.0542
 52   0     0.9125     1.0000     0.0875     0.9847     0.9313     0.0534
 53   0     0.9131     1.0000     0.0869     0.9899     0.9353     0.0546
 54   0     0.9132     1.0000     0.0868     0.9889     0.9377     0.0512
 55   0     0.9109     1.0000     0.0891     0.9817     0.9272     0.0545
 56   0     0.9030     1.0000     0.0970     0.9803     0.9287     0.0516
 57   0     0.9236     1.0000     0.0764     0.9929     0.9402     0.0527
 58   0     0.9240     1.0000     0.0760     0.9889     0.9376     0.0513
 59   0     0.9140     1.0000     0.0860     0.9875     0.9391     0.0484
 60   0     6.2401     6.0000    -0.2401     4.0404     3.7062     0.3342
 61   0     6.1177     6.0000    -0.1177     3.9755     3.6565     0.3190
 62   0     6.2022     6.0000    -0.2022     4.0261     3.7108     0.3153
 63   0     6.1644     6.0000    -0.1644     4.0161     3.7020     0.3141
 64   0     6.1122     6.0000    -0.1122     3.9962     3.6688     0.3274
 65   0     0.9094     1.0000     0.0906     0.9847     0.9314     0.0533
 66   0     0.9127     1.0000     0.0873     0.9921     0.9372     0.0549
 67   0     0.9072     1.0000     0.0928     0.9833     0.9333     0.0500
 68   0     0.9259     1.0000     0.0741     0.9896     0.9369     0.0527
 69   0     0.9071     1.0000     0.0929     0.9840     0.9343     0.0497
 70   0     0.9197     1.0000     0.0803     0.9819     0.9300     0.0519
 71   0     0.9211     1.0000     0.0789     0.9896     0.9373     0.0523
 72   0     0.8999     1.0000     0.1001     0.9803     0.9322     0.0481
 73   0     0.9030     1.0000     0.0970     0.9807     0.9283     0.0524
 74   0     0.9655     1.0000     0.0345     1.0127     0.9562     0.0565
 75   0     6.1954     6.0000    -0.1954     4.0195     3.6968     0.3227
 76   0     6.0857     6.0000    -0.0857     3.9661     3.6572     0.3089
 77   0     6.2323     6.0000    -0.2323     4.0339     3.7048     0.3291
 78   0     6.1404     6.0000    -0.1404     3.9777     3.6638     0.3139
 79   0     6.1764     6.0000    -0.1764     3.9855     3.6672     0.3183
 80   0     0.9213     1.0000     0.0787     0.9892     0.9370     0.0522
 81   0     0.9049     1.0000     0.0951     0.9824     0.9283     0.0541
 82   0     0.9255     1.0000     0.0745     1.0013     0.9505     0.0508
 83   0     0.9183     1.0000     0.0817     0.9873     0.9354     0.0519
 84   0     0.9150     1.0000     0.0850     0.9839     0.9314     0.0525
 85   0     0.9055     1.0000     0.0945     0.9847     0.9333     0.0514
 86   0     0.9201     1.0000     0.0799     0.9871     0.9369     0.0502
 87   0     0.9181     1.0000     0.0819     0.9883     0.9378     0.0505
 88   0     0.9242     1.0000     0.0758     0.9867     0.9329     0.0538
 89   0     0.9162     1.0000     0.0838     0.9809     0.9286     0.0523
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.900485
                0             6               4            6                0.914993
                0             6               5            1                0.953115
                0             6               6            1                0.951983
                1             6               2            6                0.918331
                1             6               7            1                0.957949
                1             6               8            1                0.945395
                2             6               3            6                0.880379
                2             6               9            1                0.969411
                2             6              10            1                0.941083
                3             6               4            6                0.907405
                3             6              11            1                0.960527
                3             6              12            1                0.950422
                4             6              13            1                0.951460
                4             6              14            1                0.946260
               15             6              16            6                0.886594
               15             6              19            6                0.899359
               15             6              20            1                0.954364
               15             6              21            1                0.943614
               16             6              17            6                0.887329
               16             6              22            1                0.946029
               16             6              23            1                0.951443
               17             6              18            6                0.911854
               17             6              24            1                0.949617
               17             6              25            1                0.950007
               18             6              19            6                0.913617
               18             6              26            1                0.953968
               18             6              27            1                0.948924
               19             6              28            1                0.954656
               19             6              29            1                0.951251
               30             6              31            6                0.896589
               30             6              34            6                0.898042
               30             6              35            1                0.948702
               30             6              36            1                0.965229
               31             6              32            6                0.898885
               31             6              37            1                0.955283
               31             6              38            1                0.949932
               32             6              33            6                0.913569
               32             6              39            1                0.954363
               32             6              40            1                0.952417
               33             6              34            6                0.919607
               33             6              41            1                0.949293
               33             6              42            1                0.952620
               34             6              43            1                0.951165
               34             6              44            1                0.951541
               45             6              46            6                0.895713
               45             6              49            6                0.885777
               45             6              50            1                0.949158
               45             6              51            1                0.956730
               46             6              47            6                0.900977
               46             6              52            1                0.954944
               46             6              53            1                0.943074
               47             6              48            6                0.922851
               47             6              54            1                0.956801
               47             6              55            1                0.942707
               48             6              49            6                0.923426
               48             6              56            1                0.940716
               48             6              57            1                0.950466
               49             6              58            1                0.960541
               49             6              59            1                0.959334
               60             6              61            6                0.908601
               60             6              64            6                0.919225
               60             6              65            1                0.947002
               60             6              66            1                0.948998
               61             6              62            6                0.910372
               61             6              67            1                0.947262
               61             6              68            1                0.955642
               62             6              63            6                0.917590
               62             6              69            1                0.955362
               62             6              70            1                0.959715
               63             6              64            6                0.898167
               63             6              71            1                0.954816
               63             6              72            1                0.957427
               64             6              73            1                0.935565
               64             6              74            1                0.949913
               75             6              76            6                0.908596
               75             6              79            6                0.903898
               75             6              80            1                0.954577
               75             6              81            1                0.945387
               76             6              77            6                0.906643
               76             6              82            1                0.949150
               76             6              83            1                0.948144
               77             6              78            6                0.902188
               77             6              84            1                0.954099
               77             6              85            1                0.947947
               78             6              79            6                0.900765
               78             6              86            1                0.955793
               78             6              87            1                0.952225
               79             6              88            1                0.950708
               79             6              89            1                0.954267
# -----------------------------------------------------------
$ 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     6.2722     6.0000    -0.2722     3.9624     3.6324     0.3300
  1   0     6.2457     6.0000    -0.2457     4.0182     3.6939     0.3243
  2   0     6.1381     6.0000    -0.1381     3.9770     3.6606     0.3164
  3   0     6.2855     6.0000    -0.2855     3.9586     3.6300     0.3286
  4   0     6.1724     6.0000    -0.1724     4.0163     3.7027     0.3136
  5   0     0.8806     1.0000     0.1194     0.9692     0.9177     0.0515
  6   0     0.8780     1.0000     0.1220     0.9738     0.9234     0.0504
  7   0     0.8820     1.0000     0.1180     0.9786     0.9299     0.0487
  8   0     0.8809     1.0000     0.1191     0.9744     0.9221     0.0523
  9   0     0.8970     1.0000     0.1030     0.9912     0.9383     0.0529
 10   0     0.9048     1.0000     0.0952     0.9808     0.9291     0.0517
 11   0     0.8835     1.0000     0.1165     0.9729     0.9206     0.0523
 12   0     0.8973     1.0000     0.1027     0.9907     0.9379     0.0528
 13   0     0.8767     1.0000     0.1233     0.9686     0.9187     0.0499
 14   0     0.9065     1.0000     0.0935     0.9907     0.9405     0.0502
 15   0     6.2115     6.0000    -0.2115     3.9615     3.6364     0.3251
 16   0     6.2752     6.0000    -0.2752     3.9729     3.6398     0.3331
 17   0     6.2218     6.0000    -0.2218     3.9732     3.6496     0.3236
 18   0     6.2004     6.0000    -0.2004     3.9942     3.6834     0.3108
 19   0     6.2325     6.0000    -0.2325     3.9846     3.6674     0.3172
 20   0     0.9006     1.0000     0.0994     0.9886     0.9353     0.0533
 21   0     0.8819     1.0000     0.1181     0.9743     0.9224     0.0519
 22   0     0.8773     1.0000     0.1227     0.9718     0.9213     0.0505
 23   0     0.8762     1.0000     0.1238     0.9696     0.9149     0.0547
 24   0     0.8816     1.0000     0.1184     0.9751     0.9245     0.0506
 25   0     0.8875     1.0000     0.1125     0.9781     0.9261     0.0520
 26   0     0.8880     1.0000     0.1120     0.9775     0.9287     0.0488
 27   0     0.8868     1.0000     0.1132     0.9797     0.9308     0.0489
 28   0     0.8897     1.0000     0.1103     0.9769     0.9265     0.0504
 29   0     0.8858     1.0000     0.1142     0.9791     0.9291     0.0500
 30   0     6.2073     6.0000    -0.2073     3.9578     3.6432     0.3146
 31   0     6.2188     6.0000    -0.2188     3.9606     3.6468     0.3138
 32   0     6.2223     6.0000    -0.2223     4.0021     3.6867     0.3154
 33   0     6.2060     6.0000    -0.2060     3.9949     3.6845     0.3104
 34   0     6.2228     6.0000    -0.2228     4.0054     3.6876     0.3178
 35   0     0.8944     1.0000     0.1056     0.9744     0.9223     0.0521
 36   0     0.9009     1.0000     0.0991     0.9941     0.9441     0.0500
 37   0     0.9150     1.0000     0.0850     0.9801     0.9242     0.0559
 38   0     0.8770     1.0000     0.1230     0.9758     0.9287     0.0471
 39   0     0.8820     1.0000     0.1180     0.9845     0.9357     0.0488
 40   0     0.8897     1.0000     0.1103     0.9759     0.9259     0.0500
 41   0     0.8800     1.0000     0.1200     0.9794     0.9322     0.0472
 42   0     0.8916     1.0000     0.1084     0.9756     0.9245     0.0511
 43   0     0.9065     1.0000     0.0935     0.9847     0.9291     0.0556
 44   0     0.8823     1.0000     0.1177     0.9776     0.9300     0.0476
 45   0     6.2905     6.0000    -0.2905     3.9689     3.6431     0.3258
 46   0     6.2083     6.0000    -0.2083     3.9675     3.6490     0.3185
 47   0     6.2145     6.0000    -0.2145     4.0006     3.6844     0.3162
 48   0     6.2036     6.0000    -0.2036     4.0205     3.7078     0.3127
 49   0     6.1852     6.0000    -0.1852     3.9715     3.6620     0.3095
 50   0     0.8803     1.0000     0.1197     0.9718     0.9222     0.0496
 51   0     0.8917     1.0000     0.1083     0.9709     0.9180     0.0529
 52   0     0.8898     1.0000     0.1102     0.9763     0.9239     0.0524
 53   0     0.8891     1.0000     0.1109     0.9836     0.9302     0.0534
 54   0     0.8870     1.0000     0.1130     0.9780     0.9279     0.0501
 55   0     0.8871     1.0000     0.1129     0.9743     0.9208     0.0535
 56   0     0.8835     1.0000     0.1165     0.9749     0.9242     0.0507
 57   0     0.8988     1.0000     0.1012     0.9838     0.9321     0.0517
 58   0     0.8980     1.0000     0.1020     0.9794     0.9291     0.0503
 59   0     0.8889     1.0000     0.1111     0.9806     0.9333     0.0473
 60   0     6.2825     6.0000    -0.2825     4.0218     3.6923     0.3295
 61   0     6.1754     6.0000    -0.1754     3.9604     3.6453     0.3151
 62   0     6.2463     6.0000    -0.2463     4.0015     3.6902     0.3113
 63   0     6.2184     6.0000    -0.2184     4.0112     3.7010     0.3102
 64   0     6.1740     6.0000    -0.1740     3.9979     3.6750     0.3229
 65   0     0.8831     1.0000     0.1169     0.9775     0.9254     0.0521
 66   0     0.8844     1.0000     0.1156     0.9821     0.9285     0.0536
 67   0     0.8851     1.0000     0.1149     0.9780     0.9290     0.0490
 68   0     0.8987     1.0000     0.1013     0.9804     0.9289     0.0515
 69   0     0.8817     1.0000     0.1183     0.9748     0.9262     0.0486
 70   0     0.8925     1.0000     0.1075     0.9727     0.9218     0.0509
 71   0     0.8939     1.0000     0.1061     0.9777     0.9265     0.0512
 72   0     0.8773     1.0000     0.1227     0.9735     0.9264     0.0471
 73   0     0.8830     1.0000     0.1170     0.9767     0.9254     0.0513
 74   0     0.9345     1.0000     0.0655     1.0021     0.9471     0.0550
 75   0     6.2395     6.0000    -0.2395     3.9950     3.6766     0.3184
 76   0     6.1536     6.0000    -0.1536     3.9701     3.6652     0.3049
 77   0     6.2699     6.0000    -0.2699     4.0063     3.6812     0.3251
 78   0     6.1937     6.0000    -0.1937     3.9603     3.6502     0.3101
 79   0     6.2266     6.0000    -0.2266     3.9656     3.6516     0.3140
 80   0     0.8949     1.0000     0.1051     0.9795     0.9284     0.0511
 81   0     0.8815     1.0000     0.1185     0.9781     0.9252     0.0529
 82   0     0.8952     1.0000     0.1048     0.9925     0.9430     0.0495
 83   0     0.8946     1.0000     0.1054     0.9795     0.9286     0.0509
 84   0     0.8899     1.0000     0.1101     0.9759     0.9245     0.0514
 85   0     0.8822     1.0000     0.1178     0.9765     0.9261     0.0504
 86   0     0.8946     1.0000     0.1054     0.9799     0.9307     0.0492
 87   0     0.8936     1.0000     0.1064     0.9810     0.9315     0.0495
 88   0     0.8967     1.0000     0.1033     0.9783     0.9256     0.0527
 89   0     0.8919     1.0000     0.1081     0.9737     0.9224     0.0513
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.904205
                0             6               4            6                0.921040
                0             6               5            1                0.939899
                0             6               6            1                0.935621
                1             6               2            6                0.926171
                1             6               7            1                0.947141
                1             6               8            1                0.926782
                2             6               3            6                0.887301
                2             6               9            1                0.956663
                2             6              10            1                0.924453
                3             6               4            6                0.917545
                3             6              11            1                0.939150
                3             6              12            1                0.937215
                4             6              13            1                0.936745
                4             6              14            1                0.933900
               15             6              16            6                0.900048
               15             6              19            6                0.904151
               15             6              20            1                0.942373
               15             6              21            1                0.931205
               16             6              17            6                0.897618
               16             6              22            1                0.932688
               16             6              23            1                0.936405
               17             6              18            6                0.918956
               17             6              24            1                0.935845
               17             6              25            1                0.937902
               18             6              19            6                0.920480
               18             6              26            1                0.942453
               18             6              27            1                0.937161
               19             6              28            1                0.941146
               19             6              29            1                0.940909
               30             6              31            6                0.900815
               30             6              34            6                0.902857
               30             6              35            1                0.932115
               30             6              36            1                0.957270
               31             6              32            6                0.908847
               31             6              37            1                0.943032
               31             6              38            1                0.937262
               32             6              33            6                0.919492
               32             6              39            1                0.941290
               32             6              40            1                0.939020
               33             6              34            6                0.928944
               33             6              41            1                0.939864
               33             6              42            1                0.939220
               34             6              43            1                0.935225
               34             6              44            1                0.941099
               45             6              46            6                0.904323
               45             6              49            6                0.891141
               45             6              50            1                0.936388
               45             6              51            1                0.943761
               46             6              47            6                0.917416
               46             6              52            1                0.938315
               46             6              53            1                0.928393
               47             6              48            6                0.935153
               47             6              54            1                0.940933
               47             6              55            1                0.927923
               48             6              49            6                0.932611
               48             6              56            1                0.928384
               48             6              57            1                0.936881
               49             6              58            1                0.944502
               49             6              59            1                0.949465
               60             6              61            6                0.916361
               60             6              64            6                0.926964
               60             6              65            1                0.933637
               60             6              66            1                0.934688
               61             6              62            6                0.916893
               61             6              67            1                0.936383
               61             6              68            1                0.940581
               62             6              63            6                0.927260
               62             6              69            1                0.940762
               62             6              70            1                0.945345
               63             6              64            6                0.916602
               63             6              71            1                0.936667
               63             6              72            1                0.944756
               64             6              73            1                0.923071
               64             6              74            1                0.934530
               75             6              76            6                0.921736
               75             6              79            6                0.909604
               75             6              80            1                0.941458
               75             6              81            1                0.929842
               76             6              77            6                0.919674
               76             6              82            1                0.938336
               76             6              83            1                0.934955
               77             6              78            6                0.901662
               77             6              84            1                0.941678
               77             6              85            1                0.935105
               78             6              79            6                0.910828
               78             6              86            1                0.946752
               78             6              87            1                0.940890
               79             6              88            1                0.937092
               79             6              89            1                0.941072
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1904013750
        Correlation Energy:       -5.0716650494
        Total MP2 Energy:      -1176.2620664244
# -----------------------------------------------------------
$ 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) :        0.5310666278
        Electronic Contribution:
                  0    
      0       0.323345
      1      -0.405381
      2      -0.189621
        Nuclear Contribution:
                  0    
      0      -0.393636
      1       0.498070
      2       0.016067
        Total Dipole moment:
                  0    
      0      -0.070292
      1       0.092689
      2      -0.173554
# -----------------------------------------------------------
$ 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) :        0.5359902438
        Electronic Contribution:
                  0    
      0       0.321975
      1      -0.404590
      2      -0.190974
        Nuclear Contribution:
                  0    
      0      -0.393636
      1       0.498070
      2       0.016067
        Total Dipole moment:
                  0    
      0      -0.071661
      1       0.093480
      2      -0.174907
# -----------------------------------------------------------
$ 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) :        0.5453455462
        Electronic Contribution:
                  0    
      0       0.308196
      1      -0.404633
      2      -0.189276
        Nuclear Contribution:
                  0    
      0      -0.393636
      1       0.498070
      2       0.016067
        Total Dipole moment:
                  0    
      0      -0.085440
      1       0.093437
      2      -0.173210
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     22.520000000000   22.360000000000   21.960000000000
               1 C     22.720000000000   21.660000000000   20.560000000000
               2 C     23.560000000000   22.660000000000   19.740000000000
               3 C     24.010000000000   23.840000000000   20.670000000000
               4 C     23.140000000000   23.790000000000   21.890000000000
               5 H     22.960000000000   21.800000000000   22.790000000000
               6 H     21.480000000000   22.290000000000   22.260000000000
               7 H     21.790000000000   21.440000000000   20.100000000000
               8 H     23.240000000000   20.680000000000   20.740000000000
               9 H     22.910000000000   23.190000000000   19.070000000000
              10 H     24.380000000000   22.210000000000   19.230000000000
              11 H     23.990000000000   24.810000000000   20.140000000000
              12 H     25.060000000000   23.910000000000   20.790000000000
              13 H     22.300000000000   24.480000000000   21.770000000000
              14 H     23.650000000000   23.860000000000   22.810000000000
              15 C     26.610000000000   26.320000000000   19.190000000000
              16 C     25.650000000000   27.300000000000   19.930000000000
              17 C     24.720000000000   27.920000000000   18.790000000000
              18 C     25.270000000000   27.470000000000   17.380000000000
              19 C     26.250000000000   26.340000000000   17.620000000000
              20 H     26.420000000000   25.330000000000   19.600000000000
              21 H     27.680000000000   26.610000000000   19.360000000000
              22 H     26.180000000000   28.050000000000   20.520000000000
              23 H     25.100000000000   26.760000000000   20.790000000000
              24 H     24.650000000000   29.010000000000   18.720000000000
              25 H     23.720000000000   27.550000000000   19.040000000000
              26 H     25.800000000000   28.280000000000   16.930000000000
              27 H     24.490000000000   27.150000000000   16.730000000000
              28 H     27.180000000000   26.460000000000   17.090000000000
              29 H     25.900000000000   25.380000000000   17.290000000000
              30 C     26.480000000000   21.720000000000   22.750000000000
              31 C     27.330000000000   21.930000000000   21.540000000000
              32 C     28.130000000000   23.190000000000   21.800000000000
              33 C     27.550000000000   23.870000000000   23.100000000000
              34 C     26.670000000000   22.870000000000   23.810000000000
              35 H     26.680000000000   20.760000000000   23.260000000000
              36 H     25.480000000000   21.670000000000   22.480000000000
              37 H     26.580000000000   22.060000000000   20.720000000000
              38 H     27.750000000000   21.040000000000   21.190000000000
              39 H     28.160000000000   23.850000000000   20.960000000000
              40 H     29.120000000000   22.800000000000   21.930000000000
              41 H     27.100000000000   24.780000000000   22.880000000000
              42 H     28.420000000000   24.070000000000   23.730000000000
              43 H     25.610000000000   23.260000000000   24.000000000000
              44 H     27.100000000000   22.550000000000   24.720000000000
              45 C     24.840000000000   21.050000000000   16.940000000000
              46 C     24.860000000000   19.830000000000   17.870000000000
              47 C     25.790000000000   18.780000000000   17.230000000000
              48 C     25.850000000000   19.060000000000   15.740000000000
              49 C     25.450000000000   20.530000000000   15.600000000000
              50 H     25.290000000000   21.970000000000   17.220000000000
              51 H     23.810000000000   21.410000000000   16.730000000000
              52 H     23.790000000000   19.540000000000   17.830000000000
              53 H     25.110000000000   20.240000000000   18.880000000000
              54 H     25.430000000000   17.790000000000   17.460000000000
              55 H     26.790000000000   18.770000000000   17.770000000000
              56 H     25.190000000000   18.370000000000   15.160000000000
              57 H     26.910000000000   19.050000000000   15.440000000000
              58 H     24.690000000000   20.610000000000   14.850000000000
              59 H     26.270000000000   21.080000000000   15.300000000000
              60 C     21.320000000000   24.760000000000   17.780000000000
              61 C     20.100000000000   25.250000000000   16.960000000000
              62 C     18.960000000000   25.510000000000   17.960000000000
              63 C     19.310000000000   24.870000000000   19.280000000000
              64 C     20.700000000000   24.210000000000   19.110000000000
              65 H     22.020000000000   25.630000000000   17.870000000000
              66 H     21.800000000000   23.980000000000   17.120000000000
              67 H     19.940000000000   24.560000000000   16.150000000000
              68 H     20.320000000000   26.250000000000   16.600000000000
              69 H     18.080000000000   25.300000000000   17.430000000000
              70 H     18.800000000000   26.560000000000   18.140000000000
              71 H     18.550000000000   24.130000000000   19.480000000000
              72 H     19.200000000000   25.510000000000   20.100000000000
              73 H     20.710000000000   23.100000000000   19.130000000000
              74 H     21.270000000000   24.590000000000   19.970000000000
              75 C     22.250000000000   25.360000000000   25.510000000000
              76 C     21.580000000000   24.060000000000   25.810000000000
              77 C     22.210000000000   23.500000000000   27.090000000000
              78 C     23.110000000000   24.700000000000   27.720000000000
              79 C     22.950000000000   25.840000000000   26.820000000000
              80 H     21.520000000000   26.130000000000   25.270000000000
              81 H     22.950000000000   25.350000000000   24.620000000000
              82 H     21.730000000000   23.370000000000   25.000000000000
              83 H     20.530000000000   24.280000000000   26.040000000000
              84 H     22.890000000000   22.670000000000   26.900000000000
              85 H     21.520000000000   23.060000000000   27.810000000000
              86 H     24.140000000000   24.430000000000   27.740000000000
              87 H     22.780000000000   25.020000000000   28.680000000000
              88 H     23.980000000000   26.220000000000   26.680000000000
              89 H     22.400000000000   26.660000000000   27.310000000000
