-------------------------------------------------------------
----------------------- !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:    -1171.2339654741
# -----------------------------------------------------------
$ 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     6.1626     6.0000    -0.1626     3.9098     3.9098     0.0000
  1   0     6.1537     6.0000    -0.1537     3.9108     3.9108     0.0000
  2   0     6.1418     6.0000    -0.1418     3.9167     3.9167    -0.0000
  3   0     6.2067     6.0000    -0.2067     3.8886     3.8886     0.0000
  4   0     6.1418     6.0000    -0.1418     3.9016     3.9016     0.0000
  5   0     0.9035     1.0000     0.0965     0.9747     0.9747    -0.0000
  6   0     0.9330     1.0000     0.0670     0.9772     0.9772     0.0000
  7   0     0.9179     1.0000     0.0821     0.9777     0.9777    -0.0000
  8   0     0.9248     1.0000     0.0752     0.9747     0.9747     0.0000
  9   0     0.9126     1.0000     0.0874     0.9744     0.9744     0.0000
 10   0     0.9204     1.0000     0.0796     0.9777     0.9777    -0.0000
 11   0     0.9335     1.0000     0.0665     0.9746     0.9746     0.0000
 12   0     0.9023     1.0000     0.0977     0.9683     0.9683    -0.0000
 13   0     0.9153     1.0000     0.0847     0.9744     0.9744     0.0000
 14   0     0.9302     1.0000     0.0698     0.9780     0.9780     0.0000
 15   0     6.1416     6.0000    -0.1416     3.8853     3.8853    -0.0000
 16   0     6.1736     6.0000    -0.1736     3.9192     3.9192    -0.0000
 17   0     6.1350     6.0000    -0.1350     3.9006     3.9006    -0.0000
 18   0     6.1050     6.0000    -0.1050     3.8720     3.8720     0.0000
 19   0     6.2006     6.0000    -0.2006     3.9364     3.9364     0.0000
 20   0     0.9273     1.0000     0.0727     0.9821     0.9821    -0.0000
 21   0     0.9349     1.0000     0.0651     0.9915     0.9915    -0.0000
 22   0     0.9038     1.0000     0.0962     0.9812     0.9812    -0.0000
 23   0     0.9209     1.0000     0.0791     0.9793     0.9793     0.0000
 24   0     0.9202     1.0000     0.0798     0.9827     0.9827    -0.0000
 25   0     0.9252     1.0000     0.0748     0.9770     0.9770     0.0000
 26   0     0.9507     1.0000     0.0493     0.9806     0.9806     0.0000
 27   0     0.9233     1.0000     0.0767     0.9794     0.9794    -0.0000
 28   0     0.9240     1.0000     0.0760     0.9736     0.9736     0.0000
 29   0     0.9030     1.0000     0.0970     0.9684     0.9684     0.0000
 30   0     6.1651     6.0000    -0.1651     3.8699     3.8699     0.0000
 31   0     6.1874     6.0000    -0.1874     3.8800     3.8800     0.0000
 32   0     6.1589     6.0000    -0.1589     3.9043     3.9043    -0.0000
 33   0     6.1526     6.0000    -0.1526     3.9247     3.9247     0.0000
 34   0     6.1418     6.0000    -0.1418     3.8738     3.8738     0.0000
 35   0     0.9128     1.0000     0.0872     0.9761     0.9761    -0.0000
 36   0     0.9518     1.0000     0.0482     0.9934     0.9934    -0.0000
 37   0     0.9329     1.0000     0.0671     0.9753     0.9753    -0.0000
 38   0     0.9060     1.0000     0.0940     0.9720     0.9720     0.0000
 39   0     0.9082     1.0000     0.0918     0.9735     0.9735    -0.0000
 40   0     0.9076     1.0000     0.0924     0.9754     0.9754     0.0000
 41   0     0.9142     1.0000     0.0858     0.9796     0.9796     0.0000
 42   0     0.9211     1.0000     0.0789     0.9779     0.9779     0.0000
 43   0     0.9149     1.0000     0.0851     0.9763     0.9763     0.0000
 44   0     0.9121     1.0000     0.0879     0.9790     0.9790     0.0000
 45   0     6.1605     6.0000    -0.1605     3.9292     3.9292     0.0000
 46   0     6.1645     6.0000    -0.1645     3.8895     3.8895    -0.0000
 47   0     6.2016     6.0000    -0.2016     3.8723     3.8723    -0.0000
 48   0     6.1077     6.0000    -0.1077     3.8955     3.8955    -0.0000
 49   0     6.1119     6.0000    -0.1119     3.8908     3.8908    -0.0000
 50   0     0.9163     1.0000     0.0837     0.9745     0.9745     0.0000
 51   0     0.9114     1.0000     0.0886     0.9782     0.9782     0.0000
 52   0     0.9143     1.0000     0.0857     0.9766     0.9766    -0.0000
 53   0     0.9174     1.0000     0.0826     0.9749     0.9749    -0.0000
 54   0     0.9318     1.0000     0.0682     0.9729     0.9729    -0.0000
 55   0     0.9164     1.0000     0.0836     0.9737     0.9737     0.0000
 56   0     0.9184     1.0000     0.0816     0.9859     0.9859    -0.0000
 57   0     0.9223     1.0000     0.0777     0.9776     0.9776    -0.0000
 58   0     0.9251     1.0000     0.0749     0.9771     0.9771    -0.0000
 59   0     0.9916     1.0000     0.0084     0.9954     0.9954     0.0000
 60   0     6.1576     6.0000    -0.1576     3.8891     3.8891    -0.0000
 61   0     6.1287     6.0000    -0.1287     3.8374     3.8374    -0.0000
 62   0     6.1813     6.0000    -0.1813     3.9000     3.9000    -0.0000
 63   0     6.1888     6.0000    -0.1888     3.9126     3.9126    -0.0000
 64   0     6.1082     6.0000    -0.1082     3.9105     3.9105    -0.0000
 65   0     0.9457     1.0000     0.0543     0.9977     0.9977    -0.0000
 66   0     0.9218     1.0000     0.0782     0.9800     0.9800    -0.0000
 67   0     0.9151     1.0000     0.0849     0.9772     0.9772     0.0000
 68   0     0.9757     1.0000     0.0243     0.9956     0.9956    -0.0000
 69   0     0.9150     1.0000     0.0850     0.9746     0.9746    -0.0000
 70   0     0.9020     1.0000     0.0980     0.9757     0.9757    -0.0000
 71   0     0.9170     1.0000     0.0830     0.9765     0.9765     0.0000
 72   0     0.9120     1.0000     0.0880     0.9745     0.9745     0.0000
 73   0     0.9165     1.0000     0.0835     0.9760     0.9760    -0.0000
 74   0     0.9250     1.0000     0.0750     0.9821     0.9821    -0.0000
 75   0     6.1166     6.0000    -0.1166     3.9162     3.9162    -0.0000
 76   0     6.1597     6.0000    -0.1597     3.8942     3.8942    -0.0000
 77   0     6.1877     6.0000    -0.1877     3.8926     3.8926     0.0000
 78   0     6.1531     6.0000    -0.1531     3.9016     3.9016     0.0000
 79   0     6.1600     6.0000    -0.1600     3.9104     3.9104     0.0000
 80   0     0.9192     1.0000     0.0808     0.9790     0.9790    -0.0000
 81   0     0.9273     1.0000     0.0727     0.9785     0.9785     0.0000
 82   0     0.9148     1.0000     0.0852     0.9729     0.9729    -0.0000
 83   0     0.9177     1.0000     0.0823     0.9771     0.9771     0.0000
 84   0     0.9465     1.0000     0.0535     0.9843     0.9843    -0.0000
 85   0     0.9193     1.0000     0.0807     0.9746     0.9746     0.0000
 86   0     0.9219     1.0000     0.0781     0.9768     0.9768     0.0000
 87   0     0.9193     1.0000     0.0807     0.9829     0.9829     0.0000
 88   0     0.9086     1.0000     0.0914     0.9780     0.9780     0.0000
 89   0     0.9301     1.0000     0.0699     0.9777     0.9777     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                0.971534
                0             6               4            6                0.982159
                0             6               5            1                0.982469
                0             6               6            1                1.000875
                1             6               2            6                0.990802
                1             6               7            1                0.991588
                1             6               8            1                0.984907
                2             6               3            6                0.965626
                2             6               9            1                0.992918
                2             6              10            1                0.988541
                3             6               4            6                0.974473
                3             6              11            1                1.004438
                3             6              12            1                0.982342
                4             6              13            1                0.988958
                4             6              14            1                0.980269
               15             6              16            6                0.968211
               15             6              19            6                0.978585
               15             6              20            1                0.995618
               15             6              21            1                0.996582
               16             6              17            6                0.985618
               16             6              22            1                0.985866
               16             6              23            1                0.997354
               17             6              18            6                0.948925
               17             6              24            1                0.995735
               17             6              25            1                1.000045
               18             6              19            6                0.978147
               18             6              26            1                0.992599
               18             6              27            1                0.999238
               19             6              28            1                0.993945
               19             6              29            1                0.992400
               30             6              31            6                0.962911
               30             6              34            6                0.965454
               30             6              35            1                0.989284
               30             6              36            1                0.996183
               31             6              32            6                0.961330
               31             6              37            1                0.994944
               31             6              38            1                1.002098
               32             6              33            6                0.989202
               32             6              39            1                0.989904
               32             6              40            1                0.991338
               33             6              34            6                0.967517
               33             6              41            1                0.994503
               33             6              42            1                0.998959
               34             6              43            1                0.998439
               34             6              44            1                0.992372
               45             6              46            6                0.980860
               45             6              49            6                0.974921
               45             6              50            1                0.994501
               45             6              51            1                0.989583
               46             6              47            6                0.954494
               46             6              52            1                1.000035
               46             6              53            1                0.991491
               47             6              48            6                0.960703
               47             6              54            1                1.001774
               47             6              55            1                0.999580
               48             6              49            6                0.982716
               48             6              56            1                0.993188
               48             6              57            1                0.993777
               49             6              58            1                0.987795
               49             6              59            1                0.990470
               60             6              61            6                0.954739
               60             6              64            6                0.972706
               60             6              65            1                0.995844
               60             6              66            1                0.998107
               61             6              62            6                0.962357
               61             6              67            1                0.995065
               61             6              68            1                0.990685
               62             6              63            6                0.975317
               62             6              69            1                0.994566
               62             6              70            1                0.992058
               63             6              64            6                0.987045
               63             6              71            1                0.996781
               63             6              72            1                0.989787
               64             6              73            1                0.990415
               64             6              74            1                0.997160
               75             6              76            6                0.977062
               75             6              79            6                0.984303
               75             6              80            1                0.993364
               75             6              81            1                0.992248
               76             6              77            6                0.962979
               76             6              82            1                1.001422
               76             6              83            1                0.997204
               77             6              78            6                0.986574
               77             6              84            1                0.987266
               77             6              85            1                0.993840
               78             6              79            6                0.964044
               78             6              86            1                0.986121
               78             6              87            1                0.997217
               79             6              88            1                0.988770
               79             6              89            1                1.002228
# -----------------------------------------------------------
$ 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     6.1706     6.0000    -0.1706     4.0194     3.6962     0.3232
  1   0     6.1617     6.0000    -0.1617     4.0182     3.6994     0.3188
  2   0     6.1495     6.0000    -0.1495     4.0215     3.7092     0.3123
  3   0     6.2140     6.0000    -0.2140     4.0003     3.6795     0.3208
  4   0     6.1497     6.0000    -0.1497     4.0088     3.6949     0.3139
  5   0     0.8997     1.0000     0.1003     0.9837     0.9316     0.0521
  6   0     0.9291     1.0000     0.0709     0.9873     0.9342     0.0531
  7   0     0.9140     1.0000     0.0860     0.9870     0.9356     0.0514
  8   0     0.9209     1.0000     0.0791     0.9844     0.9307     0.0537
  9   0     0.9087     1.0000     0.0913     0.9835     0.9340     0.0495
 10   0     0.9166     1.0000     0.0834     0.9871     0.9346     0.0525
 11   0     0.9295     1.0000     0.0705     0.9846     0.9301     0.0545
 12   0     0.8986     1.0000     0.1014     0.9776     0.9244     0.0532
 13   0     0.9110     1.0000     0.0890     0.9832     0.9354     0.0478
 14   0     0.9263     1.0000     0.0737     0.9880     0.9348     0.0532
 15   0     6.1496     6.0000    -0.1496     3.9950     3.6675     0.3275
 16   0     6.1809     6.0000    -0.1809     4.0282     3.7118     0.3164
 17   0     6.1438     6.0000    -0.1438     4.0118     3.6873     0.3245
 18   0     6.1125     6.0000    -0.1125     3.9779     3.6603     0.3176
 19   0     6.2082     6.0000    -0.2082     4.0463     3.7252     0.3211
 20   0     0.9233     1.0000     0.0767     0.9918     0.9358     0.0560
 21   0     0.9310     1.0000     0.0690     1.0013     0.9476     0.0537
 22   0     0.9001     1.0000     0.0999     0.9902     0.9397     0.0505
 23   0     0.9166     1.0000     0.0834     0.9886     0.9393     0.0493
 24   0     0.9169     1.0000     0.0831     0.9935     0.9400     0.0535
 25   0     0.9207     1.0000     0.0793     0.9863     0.9352     0.0511
 26   0     0.9475     1.0000     0.0525     0.9926     0.9386     0.0540
 27   0     0.9187     1.0000     0.0813     0.9883     0.9393     0.0490
 28   0     0.9201     1.0000     0.0799     0.9833     0.9287     0.0546
 29   0     0.8991     1.0000     0.1009     0.9774     0.9262     0.0512
 30   0     6.1732     6.0000    -0.1732     3.9830     3.6553     0.3277
 31   0     6.1956     6.0000    -0.1956     3.9943     3.6630     0.3313
 32   0     6.1672     6.0000    -0.1672     4.0152     3.6882     0.3270
 33   0     6.1603     6.0000    -0.1603     4.0317     3.7146     0.3171
 34   0     6.1498     6.0000    -0.1498     3.9845     3.6660     0.3185
 35   0     0.9085     1.0000     0.0915     0.9850     0.9337     0.0513
 36   0     0.9483     1.0000     0.0517     1.0048     0.9481     0.0567
 37   0     0.9287     1.0000     0.0713     0.9851     0.9290     0.0561
 38   0     0.9013     1.0000     0.0987     0.9801     0.9306     0.0495
 39   0     0.9043     1.0000     0.0957     0.9826     0.9302     0.0524
 40   0     0.9036     1.0000     0.0964     0.9844     0.9335     0.0509
 41   0     0.9103     1.0000     0.0897     0.9887     0.9388     0.0499
 42   0     0.9172     1.0000     0.0828     0.9875     0.9367     0.0508
 43   0     0.9111     1.0000     0.0889     0.9858     0.9345     0.0513
 44   0     0.9079     1.0000     0.0921     0.9880     0.9389     0.0491
 45   0     6.1678     6.0000    -0.1678     4.0362     3.7176     0.3186
 46   0     6.1719     6.0000    -0.1719     3.9979     3.6797     0.3182
 47   0     6.2097     6.0000    -0.2097     3.9847     3.6622     0.3225
 48   0     6.1153     6.0000    -0.1153     4.0012     3.6866     0.3146
 49   0     6.1186     6.0000    -0.1186     3.9950     3.6765     0.3185
 50   0     0.9126     1.0000     0.0874     0.9840     0.9326     0.0514
 51   0     0.9076     1.0000     0.0924     0.9873     0.9355     0.0518
 52   0     0.9106     1.0000     0.0894     0.9859     0.9351     0.0508
 53   0     0.9136     1.0000     0.0864     0.9843     0.9318     0.0525
 54   0     0.9280     1.0000     0.0720     0.9830     0.9291     0.0539
 55   0     0.9127     1.0000     0.0873     0.9831     0.9330     0.0501
 56   0     0.9145     1.0000     0.0855     0.9950     0.9472     0.0478
 57   0     0.9187     1.0000     0.0813     0.9875     0.9337     0.0538
 58   0     0.9212     1.0000     0.0788     0.9870     0.9334     0.0536
 59   0     0.9890     1.0000     0.0110     1.0098     0.9492     0.0606
 60   0     6.1654     6.0000    -0.1654     3.9993     3.6780     0.3213
 61   0     6.1364     6.0000    -0.1364     3.9500     3.6202     0.3298
 62   0     6.1888     6.0000    -0.1888     4.0113     3.6828     0.3285
 63   0     6.1964     6.0000    -0.1964     4.0233     3.6966     0.3267
 64   0     6.1160     6.0000    -0.1160     4.0151     3.7027     0.3124
 65   0     0.9418     1.0000     0.0582     1.0079     0.9548     0.0531
 66   0     0.9177     1.0000     0.0823     0.9894     0.9374     0.0520
 67   0     0.9107     1.0000     0.0893     0.9861     0.9332     0.0529
 68   0     0.9725     1.0000     0.0275     1.0091     0.9488     0.0603
 69   0     0.9112     1.0000     0.0888     0.9839     0.9296     0.0543
 70   0     0.8982     1.0000     0.1018     0.9845     0.9354     0.0491
 71   0     0.9132     1.0000     0.0868     0.9859     0.9331     0.0528
 72   0     0.9083     1.0000     0.0917     0.9839     0.9323     0.0516
 73   0     0.9126     1.0000     0.0874     0.9854     0.9355     0.0499
 74   0     0.9211     1.0000     0.0789     0.9915     0.9428     0.0487
 75   0     6.1251     6.0000    -0.1251     4.0219     3.7103     0.3116
 76   0     6.1676     6.0000    -0.1676     4.0035     3.6931     0.3104
 77   0     6.1949     6.0000    -0.1949     4.0037     3.6760     0.3277
 78   0     6.1607     6.0000    -0.1607     4.0114     3.6858     0.3256
 79   0     6.1677     6.0000    -0.1677     4.0193     3.6978     0.3215
 80   0     0.9150     1.0000     0.0850     0.9881     0.9398     0.0483
 81   0     0.9235     1.0000     0.0765     0.9883     0.9380     0.0503
 82   0     0.9107     1.0000     0.0893     0.9819     0.9330     0.0489
 83   0     0.9136     1.0000     0.0864     0.9865     0.9380     0.0485
 84   0     0.9433     1.0000     0.0567     0.9962     0.9387     0.0575
 85   0     0.9151     1.0000     0.0849     0.9839     0.9320     0.0519
 86   0     0.9186     1.0000     0.0814     0.9874     0.9335     0.0539
 87   0     0.9152     1.0000     0.0848     0.9920     0.9433     0.0487
 88   0     0.9048     1.0000     0.0952     0.9872     0.9375     0.0497
 89   0     0.9262     1.0000     0.0738     0.9877     0.9348     0.0529
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.908530
                0             6               4            6                0.918293
                0             6               5            1                0.941096
                0             6               6            1                0.958904
                1             6               2            6                0.929215
                1             6               7            1                0.950932
                1             6               8            1                0.942465
                2             6               3            6                0.904651
                2             6               9            1                0.953716
                2             6              10            1                0.946777
                3             6               4            6                0.915010
                3             6              11            1                0.960847
                3             6              12            1                0.940064
                4             6              13            1                0.951134
                4             6              14            1                0.938737
               15             6              16            6                0.904053
               15             6              19            6                0.915595
               15             6              20            1                0.950545
               15             6              21            1                0.953978
               16             6              17            6                0.924578
               16             6              22            1                0.945836
               16             6              23            1                0.958454
               17             6              18            6                0.882034
               17             6              24            1                0.954303
               17             6              25            1                0.959121
               18             6              19            6                0.917823
               18             6              26            1                0.950961
               18             6              27            1                0.959989
               19             6              28            1                0.950296
               19             6              29            1                0.951553
               30             6              31            6                0.899864
               30             6              34            6                0.902290
               30             6              35            1                0.947949
               30             6              36            1                0.952178
               31             6              32            6                0.896368
               31             6              37            1                0.949598
               31             6              38            1                0.961279
               32             6              33            6                0.924162
               32             6              39            1                0.947929
               32             6              40            1                0.950585
               33             6              34            6                0.905384
               33             6              41            1                0.955076
               33             6              42            1                0.958955
               34             6              43            1                0.957570
               34             6              44            1                0.953689
               45             6              46            6                0.917452
               45             6              49            6                0.913119
               45             6              50            1                0.953682
               45             6              51            1                0.948299
               46             6              47            6                0.893167
               46             6              52            1                0.959630
               46             6              53            1                0.949780
               47             6              48            6                0.896827
               47             6              54            1                0.959033
               47             6              55            1                0.960011
               48             6              49            6                0.920884
               48             6              56            1                0.955939
               48             6              57            1                0.951105
               49             6              58            1                0.945194
               49             6              59            1                0.945819
               60             6              61            6                0.893349
               60             6              64            6                0.909416
               60             6              65            1                0.954259
               60             6              66            1                0.956564
               61             6              62            6                0.897332
               61             6              67            1                0.951874
               61             6              68            1                0.945296
               62             6              63            6                0.909265
               62             6              69            1                0.950808
               62             6              70            1                0.953032
               63             6              64            6                0.922957
               63             6              71            1                0.954647
               63             6              72            1                0.948877
               64             6              73            1                0.951162
               64             6              74            1                0.959003
               75             6              76            6                0.915787
               75             6              79            6                0.920333
               75             6              80            1                0.955478
               75             6              81            1                0.953084
               76             6              77            6                0.902567
               76             6              82            1                0.962236
               76             6              83            1                0.959174
               77             6              78            6                0.919380
               77             6              84            1                0.942777
               77             6              85            1                0.952202
               78             6              79            6                0.899291
               78             6              86            1                0.944078
               78             6              87            1                0.958897
               79             6              88            1                0.949903
               79             6              89            1                0.960340
# -----------------------------------------------------------
$ 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     6.2201     6.0000    -0.2201     3.9989     3.6797     0.3192
  1   0     6.2112     6.0000    -0.2112     4.0041     3.6894     0.3147
  2   0     6.1995     6.0000    -0.1995     4.0078     3.6995     0.3083
  3   0     6.2586     6.0000    -0.2586     3.9868     3.6705     0.3163
  4   0     6.2033     6.0000    -0.2033     3.9940     3.6842     0.3098
  5   0     0.8771     1.0000     0.1229     0.9758     0.9247     0.0511
  6   0     0.9022     1.0000     0.0978     0.9777     0.9256     0.0521
  7   0     0.8894     1.0000     0.1106     0.9781     0.9277     0.0504
  8   0     0.8972     1.0000     0.1028     0.9764     0.9236     0.0528
  9   0     0.8861     1.0000     0.1139     0.9766     0.9280     0.0486
 10   0     0.8923     1.0000     0.1077     0.9779     0.9264     0.0515
 11   0     0.8998     1.0000     0.1002     0.9744     0.9211     0.0533
 12   0     0.8743     1.0000     0.1257     0.9709     0.9189     0.0520
 13   0     0.8873     1.0000     0.1127     0.9791     0.9324     0.0467
 14   0     0.9016     1.0000     0.0984     0.9799     0.9277     0.0522
 15   0     6.2048     6.0000    -0.2048     3.9812     3.6582     0.3230
 16   0     6.2215     6.0000    -0.2215     3.9989     3.6868     0.3121
 17   0     6.2023     6.0000    -0.2023     3.9993     3.6792     0.3201
 18   0     6.1755     6.0000    -0.1755     3.9629     3.6492     0.3137
 19   0     6.2479     6.0000    -0.2479     4.0207     3.7044     0.3163
 20   0     0.8965     1.0000     0.1035     0.9826     0.9279     0.0547
 21   0     0.9006     1.0000     0.0994     0.9924     0.9400     0.0524
 22   0     0.8783     1.0000     0.1217     0.9871     0.9379     0.0492
 23   0     0.8909     1.0000     0.1091     0.9799     0.9317     0.0482
 24   0     0.8936     1.0000     0.1064     0.9939     0.9417     0.0522
 25   0     0.8955     1.0000     0.1045     0.9776     0.9276     0.0500
 26   0     0.9155     1.0000     0.0845     0.9892     0.9368     0.0524
 27   0     0.8932     1.0000     0.1068     0.9790     0.9311     0.0479
 28   0     0.8926     1.0000     0.1074     0.9741     0.9207     0.0534
 29   0     0.8771     1.0000     0.1229     0.9696     0.9194     0.0502
 30   0     6.2362     6.0000    -0.2362     3.9759     3.6528     0.3231
 31   0     6.2379     6.0000    -0.2379     3.9747     3.6483     0.3264
 32   0     6.2172     6.0000    -0.2172     4.0053     3.6823     0.3230
 33   0     6.2099     6.0000    -0.2099     4.0098     3.6966     0.3132
 34   0     6.2064     6.0000    -0.2064     3.9730     3.6585     0.3145
 35   0     0.8812     1.0000     0.1188     0.9770     0.9270     0.0500
 36   0     0.9145     1.0000     0.0855     0.9964     0.9414     0.0550
 37   0     0.9019     1.0000     0.0981     0.9793     0.9246     0.0547
 38   0     0.8729     1.0000     0.1271     0.9755     0.9274     0.0481
 39   0     0.8818     1.0000     0.1182     0.9753     0.9239     0.0514
 40   0     0.8825     1.0000     0.1175     0.9770     0.9271     0.0499
 41   0     0.8854     1.0000     0.1146     0.9796     0.9308     0.0488
 42   0     0.8927     1.0000     0.1073     0.9782     0.9284     0.0498
 43   0     0.8849     1.0000     0.1151     0.9788     0.9287     0.0501
 44   0     0.8838     1.0000     0.1162     0.9799     0.9320     0.0479
 45   0     6.2172     6.0000    -0.2172     4.0276     3.7131     0.3145
 46   0     6.2186     6.0000    -0.2186     3.9801     3.6658     0.3143
 47   0     6.2584     6.0000    -0.2584     3.9665     3.6481     0.3184
 48   0     6.1660     6.0000    -0.1660     3.9840     3.6735     0.3105
 49   0     6.1760     6.0000    -0.1760     3.9941     3.6799     0.3142
 50   0     0.8882     1.0000     0.1118     0.9754     0.9250     0.0504
 51   0     0.8843     1.0000     0.1157     0.9784     0.9276     0.0508
 52   0     0.8868     1.0000     0.1132     0.9765     0.9266     0.0499
 53   0     0.8892     1.0000     0.1108     0.9763     0.9248     0.0515
 54   0     0.9006     1.0000     0.0994     0.9738     0.9210     0.0528
 55   0     0.8850     1.0000     0.1150     0.9728     0.9238     0.0490
 56   0     0.8902     1.0000     0.1098     0.9869     0.9401     0.0468
 57   0     0.8954     1.0000     0.1046     0.9794     0.9266     0.0528
 58   0     0.8973     1.0000     0.1027     0.9785     0.9260     0.0525
 59   0     0.9590     1.0000     0.0410     1.0099     0.9509     0.0590
 60   0     6.2239     6.0000    -0.2239     3.9814     3.6645     0.3169
 61   0     6.1888     6.0000    -0.1888     3.9422     3.6171     0.3251
 62   0     6.2306     6.0000    -0.2306     3.9970     3.6728     0.3242
 63   0     6.2413     6.0000    -0.2413     4.0012     3.6786     0.3226
 64   0     6.1742     6.0000    -0.1742     3.9946     3.6859     0.3087
 65   0     0.9083     1.0000     0.0917     0.9993     0.9476     0.0517
 66   0     0.8904     1.0000     0.1096     0.9793     0.9285     0.0508
 67   0     0.8858     1.0000     0.1142     0.9759     0.9242     0.0517
 68   0     0.9467     1.0000     0.0533     1.0139     0.9553     0.0586
 69   0     0.8880     1.0000     0.1120     0.9751     0.9218     0.0533
 70   0     0.8758     1.0000     0.1242     0.9780     0.9300     0.0480
 71   0     0.8880     1.0000     0.1120     0.9759     0.9242     0.0517
 72   0     0.8845     1.0000     0.1155     0.9764     0.9258     0.0506
 73   0     0.8894     1.0000     0.1106     0.9786     0.9296     0.0490
 74   0     0.8948     1.0000     0.1052     0.9835     0.9360     0.0475
 75   0     6.1803     6.0000    -0.1803     3.9999     3.6919     0.3080
 76   0     6.2212     6.0000    -0.2212     3.9838     3.6774     0.3064
 77   0     6.2429     6.0000    -0.2429     3.9851     3.6620     0.3231
 78   0     6.2176     6.0000    -0.2176     3.9998     3.6781     0.3217
 79   0     6.2148     6.0000    -0.2148     3.9959     3.6783     0.3176
 80   0     0.8915     1.0000     0.1085     0.9801     0.9328     0.0473
 81   0     0.8975     1.0000     0.1025     0.9807     0.9314     0.0493
 82   0     0.8824     1.0000     0.1176     0.9744     0.9268     0.0476
 83   0     0.8881     1.0000     0.1119     0.9791     0.9317     0.0474
 84   0     0.9136     1.0000     0.0864     0.9950     0.9392     0.0558
 85   0     0.8902     1.0000     0.1098     0.9765     0.9257     0.0508
 86   0     0.8916     1.0000     0.1084     0.9828     0.9302     0.0526
 87   0     0.8884     1.0000     0.1116     0.9812     0.9337     0.0475
 88   0     0.8817     1.0000     0.1183     0.9794     0.9308     0.0486
 89   0     0.9001     1.0000     0.0999     0.9775     0.9256     0.0519
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.918882
                0             6               4            6                0.921973
                0             6               5            1                0.927909
                0             6               6            1                0.945162
                1             6               2            6                0.938403
                1             6               7            1                0.937337
                1             6               8            1                0.927539
                2             6               3            6                0.914776
                2             6               9            1                0.942270
                2             6              10            1                0.931821
                3             6               4            6                0.925576
                3             6              11            1                0.947324
                3             6              12            1                0.926054
                4             6              13            1                0.942849
                4             6              14            1                0.924855
               15             6              16            6                0.909287
               15             6              19            6                0.931732
               15             6              20            1                0.929904
               15             6              21            1                0.939973
               16             6              17            6                0.932416
               16             6              22            1                0.932061
               16             6              23            1                0.945543
               17             6              18            6                0.889362
               17             6              24            1                0.939841
               17             6              25            1                0.944914
               18             6              19            6                0.925356
               18             6              26            1                0.936416
               18             6              27            1                0.945397
               19             6              28            1                0.931645
               19             6              29            1                0.935808
               30             6              31            6                0.906760
               30             6              34            6                0.910609
               30             6              35            1                0.934662
               30             6              36            1                0.938232
               31             6              32            6                0.907094
               31             6              37            1                0.930789
               31             6              38            1                0.945058
               32             6              33            6                0.932043
               32             6              39            1                0.933810
               32             6              40            1                0.936609
               33             6              34            6                0.913510
               33             6              41            1                0.942026
               33             6              42            1                0.943288
               34             6              43            1                0.943397
               34             6              44            1                0.941062
               45             6              46            6                0.927244
               45             6              49            6                0.926938
               45             6              50            1                0.940357
               45             6              51            1                0.934682
               46             6              47            6                0.900427
               46             6              52            1                0.944899
               46             6              53            1                0.937392
               47             6              48            6                0.903671
               47             6              54            1                0.944067
               47             6              55            1                0.947133
               48             6              49            6                0.933502
               48             6              56            1                0.946852
               48             6              57            1                0.934702
               49             6              58            1                0.930478
               49             6              59            1                0.932129
               60             6              61            6                0.902119
               60             6              64            6                0.913203
               60             6              65            1                0.942604
               60             6              66            1                0.941102
               61             6              62            6                0.911654
               61             6              67            1                0.937023
               61             6              68            1                0.932269
               62             6              63            6                0.915249
               62             6              69            1                0.935120
               62             6              70            1                0.940202
               63             6              64            6                0.929294
               63             6              71            1                0.939708
               63             6              72            1                0.936344
               64             6              73            1                0.939365
               64             6              74            1                0.947667
               75             6              76            6                0.920303
               75             6              79            6                0.925088
               75             6              80            1                0.942767
               75             6              81            1                0.941237
               76             6              77            6                0.910747
               76             6              82            1                0.951107
               76             6              83            1                0.946804
               77             6              78            6                0.923336
               77             6              84            1                0.928201
               77             6              85            1                0.940090
               78             6              79            6                0.908519
               78             6              86            1                0.932247
               78             6              87            1                0.946841
               79             6              88            1                0.937897
               79             6              89            1                0.944080
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2339654741
        Correlation Energy:       -5.0688287641
        Total MP2 Energy:      -1176.3027942382
# -----------------------------------------------------------
$ 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) :        0.4207398896
        Electronic Contribution:
                  0    
      0       0.164102
      1      -0.422232
      2      -0.011466
        Nuclear Contribution:
                  0    
      0      -0.257068
      1       0.385603
      2      -0.120501
        Total Dipole moment:
                  0    
      0      -0.092967
      1      -0.036629
      2      -0.131966
# -----------------------------------------------------------
$ 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) :        0.4212596160
        Electronic Contribution:
                  0    
      0       0.163740
      1      -0.422293
      2      -0.011449
        Nuclear Contribution:
                  0    
      0      -0.257068
      1       0.385603
      2      -0.120501
        Total Dipole moment:
                  0    
      0      -0.093329
      1      -0.036691
      2      -0.131950
# -----------------------------------------------------------
$ 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) :        0.3649477298
        Electronic Contribution:
                  0    
      0       0.162312
      1      -0.409239
      2       0.015252
        Nuclear Contribution:
                  0    
      0      -0.257068
      1       0.385603
      2      -0.120501
        Total Dipole moment:
                  0    
      0      -0.094756
      1      -0.023636
      2      -0.105249
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     18.770000000000   17.530000000000   19.410000000000
               1 C     18.530000000000   16.830000000000   20.770000000000
               2 C     17.870000000000   15.510000000000   20.440000000000
               3 C     18.190000000000   15.270000000000   18.970000000000
               4 C     18.880000000000   16.420000000000   18.340000000000
               5 H     19.540000000000   18.340000000000   19.390000000000
               6 H     17.850000000000   18.060000000000   19.200000000000
               7 H     17.870000000000   17.360000000000   21.450000000000
               8 H     19.520000000000   16.710000000000   21.290000000000
               9 H     16.810000000000   15.500000000000   20.590000000000
              10 H     18.320000000000   14.720000000000   21.070000000000
              11 H     17.240000000000   15.220000000000   18.430000000000
              12 H     18.600000000000   14.280000000000   18.660000000000
              13 H     18.390000000000   16.760000000000   17.490000000000
              14 H     19.970000000000   16.230000000000   18.210000000000
              15 C     19.130000000000   14.860000000000   14.440000000000
              16 C     20.390000000000   14.200000000000   15.040000000000
              17 C     21.310000000000   13.970000000000   13.870000000000
              18 C     20.650000000000   14.500000000000   12.530000000000
              19 C     19.510000000000   15.330000000000   13.020000000000
              20 H     18.810000000000   15.700000000000   15.150000000000
              21 H     18.260000000000   14.200000000000   14.400000000000
              22 H     20.070000000000   13.390000000000   15.660000000000
              23 H     20.830000000000   14.930000000000   15.650000000000
              24 H     21.700000000000   12.970000000000   13.790000000000
              25 H     22.130000000000   14.650000000000   13.920000000000
              26 H     20.400000000000   13.650000000000   11.940000000000
              27 H     21.350000000000   15.120000000000   12.040000000000
              28 H     18.640000000000   15.200000000000   12.340000000000
              29 H     19.680000000000   16.400000000000   12.910000000000
              30 C     19.820000000000   11.210000000000   11.540000000000
              31 C     21.320000000000   11.090000000000   11.340000000000
              32 C     21.610000000000    9.640000000000   10.770000000000
              33 C     20.210000000000    8.940000000000   10.610000000000
              34 C     19.210000000000    9.780000000000   11.410000000000
              35 H     19.480000000000   11.920000000000   10.790000000000
              36 H     19.640000000000   11.560000000000   12.560000000000
              37 H     21.830000000000   11.270000000000   12.330000000000
              38 H     21.660000000000   11.900000000000   10.730000000000
              39 H     22.230000000000    9.000000000000   11.430000000000
              40 H     22.150000000000    9.790000000000    9.840000000000
              41 H     20.220000000000    7.920000000000   10.920000000000
              42 H     19.880000000000    8.950000000000    9.590000000000
              43 H     19.080000000000    9.360000000000   12.390000000000
              44 H     18.260000000000    9.740000000000   10.950000000000
              45 C     19.770000000000   14.260000000000    8.170000000000
              46 C     20.150000000000   14.710000000000    6.720000000000
              47 C     21.670000000000   14.750000000000    6.630000000000
              48 C     22.220000000000   14.320000000000    8.010000000000
              49 C     21.050000000000   14.330000000000    9.010000000000
              50 H     19.410000000000   13.240000000000    8.170000000000
              51 H     18.950000000000   14.880000000000    8.560000000000
              52 H     19.860000000000   15.700000000000    6.440000000000
              53 H     19.700000000000   14.070000000000    5.940000000000
              54 H     22.050000000000   15.740000000000    6.320000000000
              55 H     22.040000000000   14.220000000000    5.800000000000
              56 H     22.990000000000   14.970000000000    8.190000000000
              57 H     22.580000000000   13.310000000000    7.720000000000
              58 H     21.110000000000   15.240000000000    9.640000000000
              59 H     21.170000000000   13.510000000000    9.740000000000
              60 C     21.010000000000    9.170000000000   15.000000000000
              61 C     21.140000000000   10.580000000000   15.570000000000
              62 C     22.570000000000   10.810000000000   16.200000000000
              63 C     23.230000000000    9.360000000000   16.160000000000
              64 C     22.140000000000    8.360000000000   15.660000000000
              65 H     21.030000000000    9.160000000000   13.920000000000
              66 H     20.060000000000    8.720000000000   15.270000000000
              67 H     20.440000000000   10.710000000000   16.420000000000
              68 H     20.960000000000   11.370000000000   14.800000000000
              69 H     22.540000000000   11.110000000000   17.290000000000
              70 H     23.150000000000   11.550000000000   15.720000000000
              71 H     23.570000000000    9.020000000000   17.150000000000
              72 H     24.130000000000    9.310000000000   15.550000000000
              73 H     21.690000000000    7.780000000000   16.440000000000
              74 H     22.530000000000    7.790000000000   14.900000000000
              75 C     15.400000000000   12.150000000000   14.590000000000
              76 C     16.580000000000   11.550000000000   13.830000000000
              77 C     17.600000000000   10.960000000000   14.770000000000
              78 C     17.210000000000   11.460000000000   16.230000000000
              79 C     15.670000000000   11.800000000000   16.070000000000
              80 H     14.500000000000   11.740000000000   14.250000000000
              81 H     15.350000000000   13.210000000000   14.560000000000
              82 H     17.050000000000   12.270000000000   13.250000000000
              83 H     16.230000000000   10.830000000000   13.170000000000
              84 H     18.630000000000   11.300000000000   14.540000000000
              85 H     17.590000000000    9.870000000000   14.750000000000
              86 H     17.860000000000   12.280000000000   16.570000000000
              87 H     17.340000000000   10.700000000000   16.920000000000
              88 H     15.210000000000   12.520000000000   16.700000000000
              89 H     15.170000000000   10.860000000000   16.290000000000
