-------------------------------------------------------------
----------------------- !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:    -1171.2022113742
# -----------------------------------------------------------
$ 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     6.1521     6.0000    -0.1521     3.8450     3.8450    -0.0000
  1   0     6.1998     6.0000    -0.1998     3.9126     3.9126    -0.0000
  2   0     6.0938     6.0000    -0.0938     3.8837     3.8837    -0.0000
  3   0     6.1966     6.0000    -0.1966     3.9031     3.9031    -0.0000
  4   0     6.1567     6.0000    -0.1567     3.8998     3.8998    -0.0000
  5   0     0.9155     1.0000     0.0845     0.9734     0.9734    -0.0000
  6   0     0.9390     1.0000     0.0610     0.9899     0.9899    -0.0000
  7   0     0.9169     1.0000     0.0831     0.9740     0.9740    -0.0000
  8   0     0.9109     1.0000     0.0891     0.9755     0.9755    -0.0000
  9   0     0.9228     1.0000     0.0772     0.9779     0.9779     0.0000
 10   0     0.9253     1.0000     0.0747     0.9832     0.9832     0.0000
 11   0     0.9253     1.0000     0.0747     0.9767     0.9767    -0.0000
 12   0     0.9229     1.0000     0.0771     0.9704     0.9704    -0.0000
 13   0     0.9084     1.0000     0.0916     0.9724     0.9724     0.0000
 14   0     0.9204     1.0000     0.0796     0.9774     0.9774    -0.0000
 15   0     6.1288     6.0000    -0.1288     3.8858     3.8858    -0.0000
 16   0     6.1777     6.0000    -0.1777     3.9068     3.9068    -0.0000
 17   0     6.2023     6.0000    -0.2023     3.9070     3.9070    -0.0000
 18   0     6.1293     6.0000    -0.1293     3.8939     3.8939     0.0000
 19   0     6.1815     6.0000    -0.1815     3.9270     3.9270     0.0000
 20   0     0.9253     1.0000     0.0747     0.9829     0.9829    -0.0000
 21   0     0.8928     1.0000     0.1072     0.9675     0.9675    -0.0000
 22   0     0.9281     1.0000     0.0719     0.9741     0.9741    -0.0000
 23   0     0.9199     1.0000     0.0801     0.9752     0.9752    -0.0000
 24   0     0.9236     1.0000     0.0764     0.9816     0.9816    -0.0000
 25   0     0.9193     1.0000     0.0807     0.9671     0.9671    -0.0000
 26   0     0.9005     1.0000     0.0995     0.9711     0.9711    -0.0000
 27   0     0.9260     1.0000     0.0740     0.9748     0.9748     0.0000
 28   0     0.9288     1.0000     0.0712     0.9818     0.9818     0.0000
 29   0     0.9100     1.0000     0.0900     0.9734     0.9734    -0.0000
 30   0     6.1310     6.0000    -0.1310     3.8772     3.8772    -0.0000
 31   0     6.1820     6.0000    -0.1820     3.9111     3.9111    -0.0000
 32   0     6.1935     6.0000    -0.1935     3.9129     3.9129     0.0000
 33   0     6.0376     6.0000    -0.0376     3.8593     3.8593     0.0000
 34   0     6.2078     6.0000    -0.2078     3.9290     3.9290     0.0000
 35   0     0.9175     1.0000     0.0825     0.9751     0.9751    -0.0000
 36   0     0.9289     1.0000     0.0711     0.9727     0.9727    -0.0000
 37   0     0.9298     1.0000     0.0702     0.9813     0.9813    -0.0000
 38   0     0.9029     1.0000     0.0971     0.9762     0.9762    -0.0000
 39   0     0.9178     1.0000     0.0822     0.9643     0.9643     0.0000
 40   0     0.9085     1.0000     0.0915     0.9758     0.9758     0.0000
 41   0     1.0069     1.0000    -0.0069     1.0247     1.0247     0.0000
 42   0     0.9085     1.0000     0.0915     0.9766     0.9766     0.0000
 43   0     0.9264     1.0000     0.0736     0.9702     0.9702     0.0000
 44   0     0.9132     1.0000     0.0868     0.9782     0.9782    -0.0000
 45   0     6.1894     6.0000    -0.1894     3.9074     3.9074     0.0000
 46   0     6.1270     6.0000    -0.1270     3.8922     3.8922     0.0000
 47   0     6.1744     6.0000    -0.1744     3.9048     3.9048     0.0000
 48   0     6.1611     6.0000    -0.1611     3.8886     3.8886    -0.0000
 49   0     6.1216     6.0000    -0.1216     3.8560     3.8560    -0.0000
 50   0     0.9113     1.0000     0.0887     0.9760     0.9760    -0.0000
 51   0     0.9250     1.0000     0.0750     0.9759     0.9759    -0.0000
 52   0     0.9135     1.0000     0.0865     0.9782     0.9782    -0.0000
 53   0     0.9222     1.0000     0.0778     0.9788     0.9788     0.0000
 54   0     0.9284     1.0000     0.0716     0.9777     0.9777     0.0000
 55   0     0.9054     1.0000     0.0946     0.9730     0.9730     0.0000
 56   0     0.9236     1.0000     0.0764     0.9755     0.9755    -0.0000
 57   0     0.9196     1.0000     0.0804     0.9817     0.9817    -0.0000
 58   0     0.9569     1.0000     0.0431     1.0026     1.0026     0.0000
 59   0     0.9212     1.0000     0.0788     0.9785     0.9785    -0.0000
 60   0     6.1076     6.0000    -0.1076     3.8545     3.8545     0.0000
 61   0     6.1908     6.0000    -0.1908     3.9214     3.9214     0.0000
 62   0     6.1207     6.0000    -0.1207     3.9056     3.9056    -0.0000
 63   0     6.1423     6.0000    -0.1423     3.8577     3.8577    -0.0000
 64   0     6.2026     6.0000    -0.2026     3.9071     3.9071     0.0000
 65   0     0.9323     1.0000     0.0677     0.9795     0.9795     0.0000
 66   0     0.9179     1.0000     0.0821     0.9743     0.9743     0.0000
 67   0     0.9142     1.0000     0.0858     0.9789     0.9789    -0.0000
 68   0     0.9286     1.0000     0.0714     0.9736     0.9736     0.0000
 69   0     0.9110     1.0000     0.0890     0.9742     0.9742    -0.0000
 70   0     0.9291     1.0000     0.0709     0.9811     0.9811    -0.0000
 71   0     0.9136     1.0000     0.0864     0.9801     0.9801    -0.0000
 72   0     0.9379     1.0000     0.0621     0.9805     0.9805    -0.0000
 73   0     0.9077     1.0000     0.0923     0.9757     0.9757     0.0000
 74   0     0.9384     1.0000     0.0616     0.9801     0.9801    -0.0000
 75   0     6.0764     6.0000    -0.0764     3.7927     3.7927     0.0000
 76   0     6.2524     6.0000    -0.2524     3.8936     3.8936     0.0000
 77   0     6.0753     6.0000    -0.0753     3.8658     3.8658    -0.0000
 78   0     6.1817     6.0000    -0.1817     3.9224     3.9224    -0.0000
 79   0     6.1822     6.0000    -0.1822     3.8991     3.8991     0.0000
 80   0     0.9216     1.0000     0.0784     0.9770     0.9770     0.0000
 81   0     0.9618     1.0000     0.0382     1.0129     1.0129    -0.0000
 82   0     0.9190     1.0000     0.0810     0.9730     0.9730    -0.0000
 83   0     0.9085     1.0000     0.0915     0.9662     0.9662     0.0000
 84   0     0.9202     1.0000     0.0798     0.9826     0.9826    -0.0000
 85   0     0.9212     1.0000     0.0788     0.9788     0.9788    -0.0000
 86   0     0.9090     1.0000     0.0910     0.9757     0.9757     0.0000
 87   0     0.9283     1.0000     0.0717     0.9787     0.9787     0.0000
 88   0     0.9158     1.0000     0.0842     0.9758     0.9758     0.0000
 89   0     0.9184     1.0000     0.0816     0.9733     0.9733     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                0.963042
                0             6               4            6                0.964264
                0             6               5            1                0.996682
                0             6               6            1                0.981218
                1             6               2            6                0.977590
                1             6               7            1                0.992319
                1             6               8            1                0.988941
                2             6               3            6                0.972690
                2             6               9            1                0.991160
                2             6              10            1                0.993470
                3             6               4            6                0.972438
                3             6              11            1                0.994950
                3             6              12            1                0.997611
                4             6              13            1                0.988901
                4             6              14            1                0.997933
               15             6              16            6                0.965366
               15             6              19            6                0.963079
               15             6              20            1                1.008813
               15             6              21            1                0.972169
               16             6              17            6                0.976606
               16             6              22            1                0.991991
               16             6              23            1                1.001012
               17             6              18            6                0.971405
               17             6              24            1                1.000639
               17             6              25            1                0.995135
               18             6              19            6                0.981896
               18             6              26            1                0.990186
               18             6              27            1                0.997731
               19             6              28            1                0.996361
               19             6              29            1                0.997403
               30             6              31            6                0.974887
               30             6              34            6                0.959867
               30             6              35            1                0.986876
               30             6              36            1                1.000819
               31             6              32            6                0.968576
               31             6              37            1                0.999096
               31             6              38            1                0.985469
               32             6              33            6                0.962979
               32             6              39            1                0.999265
               32             6              40            1                0.989364
               33             6              34            6                0.978836
               33             6              41            1                0.997051
               33             6              42            1                0.975960
               34             6              43            1                1.006597
               34             6              44            1                0.984523
               45             6              46            6                0.982310
               45             6              49            6                0.956691
               45             6              50            1                0.988518
               45             6              51            1                0.997579
               46             6              47            6                0.978746
               46             6              52            1                0.989727
               46             6              53            1                0.985952
               47             6              48            6                0.963683
               47             6              54            1                1.002019
               47             6              55            1                0.986117
               48             6              49            6                0.959012
               48             6              56            1                0.998821
               48             6              57            1                0.993370
               49             6              58            1                1.005040
               49             6              59            1                0.985220
               60             6              61            6                0.958627
               60             6              64            6                0.964693
               60             6              65            1                1.003982
               60             6              66            1                0.990007
               61             6              62            6                0.987072
               61             6              67            1                0.991512
               61             6              68            1                1.003295
               62             6              63            6                0.954630
               62             6              69            1                0.990460
               62             6              70            1                0.999887
               63             6              64            6                0.963270
               63             6              71            1                0.998184
               63             6              72            1                0.993974
               64             6              73            1                0.987789
               64             6              74            1                1.000700
               75             6              76            6                0.945691
               75             6              79            6                0.942049
               75             6              80            1                1.000454
               75             6              81            1                0.995030
               76             6              77            6                0.959977
               76             6              82            1                0.992173
               76             6              83            1                0.996549
               77             6              78            6                0.978963
               77             6              84            1                0.985361
               77             6              85            1                0.993738
               78             6              79            6                0.980536
               78             6              86            1                0.987406
               78             6              87            1                0.998965
               79             6              88            1                0.995348
               79             6              89            1                0.997140
# -----------------------------------------------------------
$ 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     6.1580     6.0000    -0.1580     3.9533     3.6277     0.3256
  1   0     6.2075     6.0000    -0.2075     4.0243     3.6957     0.3286
  2   0     6.1017     6.0000    -0.1017     3.9876     3.6800     0.3076
  3   0     6.2043     6.0000    -0.2043     4.0134     3.6979     0.3155
  4   0     6.1651     6.0000    -0.1651     4.0105     3.6900     0.3205
  5   0     0.9113     1.0000     0.0887     0.9827     0.9296     0.0531
  6   0     0.9368     1.0000     0.0632     1.0032     0.9443     0.0589
  7   0     0.9131     1.0000     0.0869     0.9834     0.9292     0.0542
  8   0     0.9070     1.0000     0.0930     0.9847     0.9333     0.0514
  9   0     0.9190     1.0000     0.0810     0.9876     0.9383     0.0493
 10   0     0.9212     1.0000     0.0788     0.9926     0.9439     0.0487
 11   0     0.9214     1.0000     0.0786     0.9863     0.9336     0.0527
 12   0     0.9191     1.0000     0.0809     0.9801     0.9276     0.0525
 13   0     0.9046     1.0000     0.0954     0.9815     0.9319     0.0496
 14   0     0.9164     1.0000     0.0836     0.9867     0.9349     0.0518
 15   0     6.1367     6.0000    -0.1367     3.9978     3.6689     0.3289
 16   0     6.1864     6.0000    -0.1864     4.0201     3.6950     0.3251
 17   0     6.2095     6.0000    -0.2095     4.0172     3.6981     0.3191
 18   0     6.1375     6.0000    -0.1375     4.0010     3.6808     0.3202
 19   0     6.1905     6.0000    -0.1905     4.0403     3.7085     0.3318
 20   0     0.9210     1.0000     0.0790     0.9924     0.9402     0.0522
 21   0     0.8887     1.0000     0.1113     0.9762     0.9235     0.0527
 22   0     0.9241     1.0000     0.0759     0.9841     0.9292     0.0549
 23   0     0.9156     1.0000     0.0844     0.9841     0.9308     0.0533
 24   0     0.9198     1.0000     0.0802     0.9917     0.9415     0.0502
 25   0     0.9149     1.0000     0.0851     0.9761     0.9254     0.0507
 26   0     0.8966     1.0000     0.1034     0.9797     0.9306     0.0491
 27   0     0.9218     1.0000     0.0782     0.9843     0.9311     0.0532
 28   0     0.9251     1.0000     0.0749     0.9921     0.9356     0.0565
 29   0     0.9056     1.0000     0.0944     0.9821     0.9315     0.0506
 30   0     6.1398     6.0000    -0.1398     3.9867     3.6662     0.3205
 31   0     6.1894     6.0000    -0.1894     4.0202     3.6970     0.3232
 32   0     6.2008     6.0000    -0.2008     4.0227     3.7003     0.3224
 33   0     6.0456     6.0000    -0.0456     3.9617     3.6439     0.3178
 34   0     6.2152     6.0000    -0.2152     4.0394     3.7151     0.3243
 35   0     0.9135     1.0000     0.0865     0.9847     0.9342     0.0505
 36   0     0.9249     1.0000     0.0751     0.9826     0.9299     0.0527
 37   0     0.9259     1.0000     0.0741     0.9911     0.9386     0.0525
 38   0     0.8991     1.0000     0.1009     0.9850     0.9346     0.0504
 39   0     0.9140     1.0000     0.0860     0.9741     0.9191     0.0550
 40   0     0.9046     1.0000     0.0954     0.9851     0.9331     0.0520
 41   0     1.0033     1.0000    -0.0033     1.0370     0.9768     0.0602
 42   0     0.9046     1.0000     0.0954     0.9856     0.9351     0.0505
 43   0     0.9224     1.0000     0.0776     0.9799     0.9254     0.0545
 44   0     0.9091     1.0000     0.0909     0.9873     0.9345     0.0528
 45   0     6.1974     6.0000    -0.1974     4.0180     3.6942     0.3238
 46   0     6.1343     6.0000    -0.1343     3.9980     3.6783     0.3197
 47   0     6.1827     6.0000    -0.1827     4.0153     3.6912     0.3241
 48   0     6.1693     6.0000    -0.1693     3.9986     3.6820     0.3166
 49   0     6.1283     6.0000    -0.1283     3.9619     3.6493     0.3126
 50   0     0.9076     1.0000     0.0924     0.9852     0.9351     0.0501
 51   0     0.9211     1.0000     0.0789     0.9855     0.9312     0.0543
 52   0     0.9095     1.0000     0.0905     0.9872     0.9385     0.0487
 53   0     0.9184     1.0000     0.0816     0.9885     0.9318     0.0567
 54   0     0.9245     1.0000     0.0755     0.9874     0.9353     0.0521
 55   0     0.9018     1.0000     0.0982     0.9820     0.9292     0.0528
 56   0     0.9196     1.0000     0.0804     0.9849     0.9336     0.0513
 57   0     0.9157     1.0000     0.0843     0.9910     0.9407     0.0503
 58   0     0.9529     1.0000     0.0471     1.0133     0.9612     0.0521
 59   0     0.9171     1.0000     0.0829     0.9878     0.9363     0.0515
 60   0     6.1158     6.0000    -0.1158     3.9618     3.6474     0.3144
 61   0     6.1976     6.0000    -0.1976     4.0277     3.7126     0.3151
 62   0     6.1294     6.0000    -0.1294     4.0135     3.7003     0.3132
 63   0     6.1497     6.0000    -0.1497     3.9666     3.6466     0.3200
 64   0     6.2107     6.0000    -0.2107     4.0202     3.6908     0.3294
 65   0     0.9283     1.0000     0.0717     0.9891     0.9382     0.0509
 66   0     0.9142     1.0000     0.0858     0.9840     0.9319     0.0521
 67   0     0.9105     1.0000     0.0895     0.9882     0.9377     0.0505
 68   0     0.9249     1.0000     0.0751     0.9836     0.9306     0.0530
 69   0     0.9072     1.0000     0.0928     0.9835     0.9331     0.0504
 70   0     0.9252     1.0000     0.0748     0.9906     0.9409     0.0497
 71   0     0.9093     1.0000     0.0907     0.9888     0.9408     0.0480
 72   0     0.9342     1.0000     0.0658     0.9910     0.9338     0.0572
 73   0     0.9036     1.0000     0.0964     0.9844     0.9332     0.0512
 74   0     0.9347     1.0000     0.0653     0.9907     0.9339     0.0568
 75   0     6.0832     6.0000    -0.0832     3.8973     3.5850     0.3123
 76   0     6.2606     6.0000    -0.2606     4.0102     3.6792     0.3310
 77   0     6.0830     6.0000    -0.0830     3.9694     3.6603     0.3091
 78   0     6.1891     6.0000    -0.1891     4.0307     3.7087     0.3220
 79   0     6.1905     6.0000    -0.1905     4.0103     3.6872     0.3231
 80   0     0.9175     1.0000     0.0825     0.9863     0.9343     0.0520
 81   0     0.9587     1.0000     0.0413     1.0248     0.9708     0.0540
 82   0     0.9152     1.0000     0.0848     0.9827     0.9294     0.0533
 83   0     0.9045     1.0000     0.0955     0.9754     0.9230     0.0524
 84   0     0.9162     1.0000     0.0838     0.9918     0.9412     0.0506
 85   0     0.9172     1.0000     0.0828     0.9881     0.9380     0.0501
 86   0     0.9053     1.0000     0.0947     0.9850     0.9348     0.0502
 87   0     0.9245     1.0000     0.0755     0.9885     0.9353     0.0532
 88   0     0.9119     1.0000     0.0881     0.9851     0.9329     0.0522
 89   0     0.9145     1.0000     0.0855     0.9826     0.9303     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                0.899716
                0             6               4            6                0.899767
                0             6               5            1                0.953728
                0             6               6            1                0.937138
                1             6               2            6                0.911773
                1             6               7            1                0.948791
                1             6               8            1                0.948307
                2             6               3            6                0.914554
                2             6               9            1                0.952700
                2             6              10            1                0.955499
                3             6               4            6                0.911483
                3             6              11            1                0.953429
                3             6              12            1                0.956070
                4             6              13            1                0.949817
                4             6              14            1                0.956485
               15             6              16            6                0.904594
               15             6              19            6                0.896259
               15             6              20            1                0.966368
               15             6              21            1                0.929553
               16             6              17            6                0.915587
               16             6              22            1                0.948433
               16             6              23            1                0.957544
               17             6              18            6                0.905700
               17             6              24            1                0.961475
               17             6              25            1                0.954252
               18             6              19            6                0.919512
               18             6              26            1                0.950867
               18             6              27            1                0.954851
               19             6              28            1                0.951533
               19             6              29            1                0.956362
               30             6              31            6                0.908850
               30             6              34            6                0.899147
               30             6              35            1                0.947370
               30             6              36            1                0.958939
               31             6              32            6                0.906210
               31             6              37            1                0.957259
               31             6              38            1                0.945398
               32             6              33            6                0.901633
               32             6              39            1                0.954843
               32             6              40            1                0.948210
               33             6              34            6                0.915238
               33             6              41            1                0.950494
               33             6              42            1                0.935893
               34             6              43            1                0.962291
               34             6              44            1                0.942812
               45             6              46            6                0.918306
               45             6              49            6                0.894018
               45             6              50            1                0.949138
               45             6              51            1                0.954087
               46             6              47            6                0.915666
               46             6              52            1                0.951330
               46             6              53            1                0.940473
               47             6              48            6                0.900226
               47             6              54            1                0.960457
               47             6              55            1                0.943941
               48             6              49            6                0.899700
               48             6              56            1                0.957880
               48             6              57            1                0.953806
               49             6              58            1                0.964334
               49             6              59            1                0.944205
               60             6              61            6                0.897416
               60             6              64            6                0.902455
               60             6              65            1                0.963587
               60             6              66            1                0.949180
               61             6              62            6                0.924874
               61             6              67            1                0.951811
               61             6              68            1                0.961236
               62             6              63            6                0.893890
               62             6              69            1                0.950821
               62             6              70            1                0.960674
               63             6              64            6                0.899437
               63             6              71            1                0.960030
               63             6              72            1                0.948402
               64             6              73            1                0.946756
               64             6              74            1                0.955506
               75             6              76            6                0.880968
               75             6              79            6                0.883663
               75             6              80            1                0.958465
               75             6              81            1                0.954412
               76             6              77            6                0.899110
               76             6              82            1                0.949797
               76             6              83            1                0.954083
               77             6              78            6                0.916977
               77             6              84            1                0.945624
               77             6              85            1                0.953996
               78             6              79            6                0.914109
               78             6              86            1                0.947993
               78             6              87            1                0.956680
               79             6              88            1                0.953733
               79             6              89            1                0.955321
# -----------------------------------------------------------
$ 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     6.2050     6.0000    -0.2050     3.9535     3.6325     0.3210
  1   0     6.2405     6.0000    -0.2405     3.9998     3.6756     0.3242
  2   0     6.1684     6.0000    -0.1684     3.9737     3.6696     0.3041
  3   0     6.2476     6.0000    -0.2476     3.9862     3.6751     0.3111
  4   0     6.2212     6.0000    -0.2212     3.9955     3.6789     0.3166
  5   0     0.8892     1.0000     0.1108     0.9752     0.9231     0.0521
  6   0     0.9110     1.0000     0.0890     0.9969     0.9395     0.0574
  7   0     0.8904     1.0000     0.1096     0.9772     0.9241     0.0531
  8   0     0.8856     1.0000     0.1144     0.9781     0.9277     0.0504
  9   0     0.8920     1.0000     0.1080     0.9810     0.9328     0.0482
 10   0     0.8954     1.0000     0.1046     0.9835     0.9359     0.0476
 11   0     0.8922     1.0000     0.1078     0.9763     0.9249     0.0514
 12   0     0.8926     1.0000     0.1074     0.9715     0.9201     0.0514
 13   0     0.8823     1.0000     0.1177     0.9761     0.9275     0.0486
 14   0     0.8909     1.0000     0.1091     0.9765     0.9258     0.0507
 15   0     6.1984     6.0000    -0.1984     3.9957     3.6713     0.3244
 16   0     6.2366     6.0000    -0.2366     4.0033     3.6830     0.3203
 17   0     6.2613     6.0000    -0.2613     3.9948     3.6800     0.3148
 18   0     6.1884     6.0000    -0.1884     3.9761     3.6601     0.3160
 19   0     6.2447     6.0000    -0.2447     4.0183     3.6908     0.3275
 20   0     0.8894     1.0000     0.1106     0.9797     0.9290     0.0507
 21   0     0.8726     1.0000     0.1274     0.9775     0.9259     0.0516
 22   0     0.8977     1.0000     0.1023     0.9814     0.9279     0.0535
 23   0     0.8859     1.0000     0.1141     0.9739     0.9219     0.0520
 24   0     0.8900     1.0000     0.1100     0.9819     0.9331     0.0488
 25   0     0.8888     1.0000     0.1112     0.9711     0.9217     0.0494
 26   0     0.8739     1.0000     0.1261     0.9742     0.9261     0.0481
 27   0     0.8962     1.0000     0.1038     0.9758     0.9236     0.0522
 28   0     0.8940     1.0000     0.1060     0.9840     0.9291     0.0549
 29   0     0.8818     1.0000     0.1182     0.9751     0.9257     0.0494
 30   0     6.1966     6.0000    -0.1966     3.9673     3.6508     0.3165
 31   0     6.2395     6.0000    -0.2395     3.9986     3.6794     0.3192
 32   0     6.2404     6.0000    -0.2404     4.0081     3.6903     0.3178
 33   0     6.1254     6.0000    -0.1254     3.9672     3.6532     0.3140
 34   0     6.2548     6.0000    -0.2548     4.0084     3.6887     0.3197
 35   0     0.8922     1.0000     0.1078     0.9777     0.9281     0.0496
 36   0     0.8952     1.0000     0.1048     0.9771     0.9258     0.0513
 37   0     0.8958     1.0000     0.1042     0.9824     0.9312     0.0512
 38   0     0.8778     1.0000     0.1222     0.9774     0.9280     0.0494
 39   0     0.8904     1.0000     0.1096     0.9694     0.9155     0.0539
 40   0     0.8813     1.0000     0.1187     0.9762     0.9252     0.0510
 41   0     0.9571     1.0000     0.0429     1.0244     0.9660     0.0584
 42   0     0.8829     1.0000     0.1171     0.9771     0.9275     0.0496
 43   0     0.8914     1.0000     0.1086     0.9742     0.9212     0.0530
 44   0     0.8860     1.0000     0.1140     0.9787     0.9270     0.0517
 45   0     6.2456     6.0000    -0.2456     3.9971     3.6774     0.3197
 46   0     6.1812     6.0000    -0.1812     3.9788     3.6636     0.3152
 47   0     6.2347     6.0000    -0.2347     3.9922     3.6720     0.3202
 48   0     6.2233     6.0000    -0.2233     3.9795     3.6669     0.3126
 49   0     6.1922     6.0000    -0.1922     3.9521     3.6437     0.3084
 50   0     0.8828     1.0000     0.1172     0.9778     0.9288     0.0490
 51   0     0.8946     1.0000     0.1054     0.9783     0.9252     0.0531
 52   0     0.8876     1.0000     0.1124     0.9833     0.9356     0.0477
 53   0     0.8955     1.0000     0.1045     0.9808     0.9251     0.0557
 54   0     0.8955     1.0000     0.1045     0.9781     0.9272     0.0509
 55   0     0.8788     1.0000     0.1212     0.9748     0.9230     0.0518
 56   0     0.8903     1.0000     0.1097     0.9783     0.9283     0.0500
 57   0     0.8903     1.0000     0.1097     0.9825     0.9333     0.0492
 58   0     0.9181     1.0000     0.0819     1.0005     0.9498     0.0507
 59   0     0.8903     1.0000     0.1097     0.9794     0.9291     0.0503
 60   0     6.1771     6.0000    -0.1771     3.9493     3.6387     0.3106
 61   0     6.2414     6.0000    -0.2414     3.9963     3.6852     0.3111
 62   0     6.1879     6.0000    -0.1879     3.9991     3.6896     0.3095
 63   0     6.2064     6.0000    -0.2064     3.9629     3.6472     0.3157
 64   0     6.2517     6.0000    -0.2517     3.9966     3.6718     0.3248
 65   0     0.8990     1.0000     0.1010     0.9810     0.9313     0.0497
 66   0     0.8898     1.0000     0.1102     0.9767     0.9257     0.0510
 67   0     0.8856     1.0000     0.1144     0.9794     0.9299     0.0495
 68   0     0.8977     1.0000     0.1023     0.9760     0.9242     0.0518
 69   0     0.8845     1.0000     0.1155     0.9761     0.9266     0.0495
 70   0     0.8968     1.0000     0.1032     0.9819     0.9333     0.0486
 71   0     0.8837     1.0000     0.1163     0.9803     0.9335     0.0468
 72   0     0.9049     1.0000     0.0951     0.9864     0.9306     0.0558
 73   0     0.8797     1.0000     0.1203     0.9767     0.9267     0.0500
 74   0     0.9085     1.0000     0.0915     0.9886     0.9332     0.0554
 75   0     6.1562     6.0000    -0.1562     3.8972     3.5889     0.3083
 76   0     6.3020     6.0000    -0.3020     3.9810     3.6545     0.3265
 77   0     6.1465     6.0000    -0.1465     3.9681     3.6631     0.3050
 78   0     6.2342     6.0000    -0.2342     4.0000     3.6819     0.3181
 79   0     6.2346     6.0000    -0.2346     3.9906     3.6719     0.3187
 80   0     0.8888     1.0000     0.1112     0.9766     0.9259     0.0507
 81   0     0.9213     1.0000     0.0787     1.0142     0.9617     0.0525
 82   0     0.8883     1.0000     0.1117     0.9756     0.9235     0.0521
 83   0     0.8771     1.0000     0.1229     0.9678     0.9167     0.0511
 84   0     0.8928     1.0000     0.1072     0.9840     0.9344     0.0496
 85   0     0.8928     1.0000     0.1072     0.9818     0.9327     0.0491
 86   0     0.8835     1.0000     0.1165     0.9793     0.9301     0.0492
 87   0     0.8972     1.0000     0.1028     0.9796     0.9276     0.0520
 88   0     0.8894     1.0000     0.1106     0.9787     0.9275     0.0512
 89   0     0.8892     1.0000     0.1108     0.9754     0.9242     0.0512
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.912458
                0             6               4            6                0.911831
                0             6               5            1                0.942173
                0             6               6            1                0.921665
                1             6               2            6                0.915547
                1             6               7            1                0.935013
                1             6               8            1                0.936016
                2             6               3            6                0.923554
                2             6               9            1                0.943283
                2             6              10            1                0.942817
                3             6               4            6                0.918789
                3             6              11            1                0.937505
                3             6              12            1                0.941171
                4             6              13            1                0.937866
                4             6              14            1                0.941620
               15             6              16            6                0.916890
               15             6              19            6                0.903975
               15             6              20            1                0.949797
               15             6              21            1                0.914739
               16             6              17            6                0.923236
               16             6              22            1                0.927635
               16             6              23            1                0.942646
               17             6              18            6                0.902698
               17             6              24            1                0.949615
               17             6              25            1                0.942234
               18             6              19            6                0.927677
               18             6              26            1                0.940051
               18             6              27            1                0.939178
               19             6              28            1                0.933789
               19             6              29            1                0.942606
               30             6              31            6                0.909637
               30             6              34            6                0.910532
               30             6              35            1                0.932260
               30             6              36            1                0.947660
               31             6              32            6                0.915636
               31             6              37            1                0.946242
               31             6              38            1                0.931847
               32             6              33            6                0.921097
               32             6              39            1                0.940865
               32             6              40            1                0.933288
               33             6              34            6                0.920678
               33             6              41            1                0.938572
               33             6              42            1                0.922641
               34             6              43            1                0.948875
               34             6              44            1                0.926774
               45             6              46            6                0.925231
               45             6              49            6                0.901310
               45             6              50            1                0.937823
               45             6              51            1                0.939982
               46             6              47            6                0.922831
               46             6              52            1                0.944959
               46             6              53            1                0.922463
               47             6              48            6                0.904469
               47             6              54            1                0.949255
               47             6              55            1                0.928481
               48             6              49            6                0.907103
               48             6              56            1                0.948872
               48             6              57            1                0.939805
               49             6              58            1                0.953440
               49             6              59            1                0.932514
               60             6              61            6                0.904862
               60             6              64            6                0.912346
               60             6              65            1                0.954194
               60             6              66            1                0.933206
               61             6              62            6                0.926427
               61             6              67            1                0.937475
               61             6              68            1                0.948731
               62             6              63            6                0.910734
               62             6              69            1                0.935174
               62             6              70            1                0.949705
               63             6              64            6                0.902786
               63             6              71            1                0.946983
               63             6              72            1                0.933582
               64             6              73            1                0.934170
               64             6              74            1                0.940213
               75             6              76            6                0.884862
               75             6              79            6                0.899871
               75             6              80            1                0.944263
               75             6              81            1                0.944059
               76             6              77            6                0.908797
               76             6              82            1                0.935348
               76             6              83            1                0.940027
               77             6              78            6                0.926021
               77             6              84            1                0.931185
               77             6              85            1                0.946261
               78             6              79            6                0.915062
               78             6              86            1                0.935446
               78             6              87            1                0.944426
               79             6              88            1                0.937927
               79             6              89            1                0.944250
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2022113742
        Correlation Energy:       -5.0695599042
        Total MP2 Energy:      -1176.2717712785
# -----------------------------------------------------------
$ 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) :        0.3723371936
        Electronic Contribution:
                  0    
      0      -0.608324
      1      -0.207984
      2      -0.374021
        Nuclear Contribution:
                  0    
      0       0.739072
      1       0.249035
      2       0.425770
        Total Dipole moment:
                  0    
      0       0.130748
      1       0.041051
      2       0.051749
# -----------------------------------------------------------
$ 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) :        0.3755149179
        Electronic Contribution:
                  0    
      0      -0.606779
      1      -0.207986
      2      -0.374394
        Nuclear Contribution:
                  0    
      0       0.739072
      1       0.249035
      2       0.425770
        Total Dipole moment:
                  0    
      0       0.132293
      1       0.041049
      2       0.051376
# -----------------------------------------------------------
$ 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) :        0.3583281274
        Electronic Contribution:
                  0    
      0      -0.612878
      1      -0.202952
      2      -0.383047
        Nuclear Contribution:
                  0    
      0       0.739072
      1       0.249035
      2       0.425770
        Total Dipole moment:
                  0    
      0       0.126194
      1       0.046083
      2       0.042723
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     15.490000000000   23.690000000000   22.230000000000
               1 C     15.270000000000   22.180000000000   21.940000000000
               2 C     16.680000000000   21.480000000000   22.120000000000
               3 C     17.530000000000   22.420000000000   22.860000000000
               4 C     17.000000000000   23.830000000000   22.670000000000
               5 H     14.920000000000   24.070000000000   23.110000000000
               6 H     15.200000000000   24.320000000000   21.360000000000
               7 H     14.980000000000   21.980000000000   20.870000000000
               8 H     14.520000000000   21.810000000000   22.640000000000
               9 H     17.070000000000   21.270000000000   21.170000000000
              10 H     16.540000000000   20.610000000000   22.670000000000
              11 H     18.570000000000   22.270000000000   22.580000000000
              12 H     17.640000000000   22.110000000000   23.900000000000
              13 H     17.680000000000   24.380000000000   22.080000000000
              14 H     17.040000000000   24.300000000000   23.650000000000
              15 C     16.290000000000   24.650000000000   18.540000000000
              16 C     17.540000000000   23.830000000000   18.350000000000
              17 C     18.490000000000   24.630000000000   17.500000000000
              18 C     17.800000000000   25.910000000000   16.920000000000
              19 C     16.400000000000   25.840000000000   17.470000000000
              20 H     16.510000000000   25.170000000000   19.440000000000
              21 H     15.350000000000   24.070000000000   18.740000000000
              22 H     17.490000000000   22.800000000000   17.920000000000
              23 H     18.000000000000   23.610000000000   19.330000000000
              24 H     18.850000000000   24.130000000000   16.670000000000
              25 H     19.340000000000   24.930000000000   18.070000000000
              26 H     17.890000000000   26.020000000000   15.860000000000
              27 H     18.290000000000   26.770000000000   17.420000000000
              28 H     15.710000000000   25.740000000000   16.580000000000
              29 H     16.140000000000   26.800000000000   17.880000000000
              30 C     19.190000000000   20.210000000000   17.330000000000
              31 C     18.680000000000   20.300000000000   15.840000000000
              32 C     19.910000000000   20.820000000000   15.080000000000
              33 C     21.080000000000   21.130000000000   16.010000000000
              34 C     20.470000000000   20.990000000000   17.420000000000
              35 H     19.410000000000   19.230000000000   17.710000000000
              36 H     18.420000000000   20.680000000000   17.930000000000
              37 H     17.870000000000   21.020000000000   15.860000000000
              38 H     18.240000000000   19.370000000000   15.490000000000
              39 H     19.600000000000   21.760000000000   14.550000000000
              40 H     20.100000000000   20.120000000000   14.260000000000
              41 H     21.390000000000   22.210000000000   15.870000000000
              42 H     21.980000000000   20.530000000000   15.930000000000
              43 H     20.140000000000   21.980000000000   17.780000000000
              44 H     21.160000000000   20.620000000000   18.220000000000
              45 C     14.240000000000   24.550000000000   14.170000000000
              46 C     14.330000000000   24.160000000000   12.670000000000
              47 C     14.960000000000   22.760000000000   12.580000000000
              48 C     15.550000000000   22.450000000000   13.990000000000
              49 C     15.150000000000   23.550000000000   14.920000000000
              50 H     13.230000000000   24.590000000000   14.510000000000
              51 H     14.650000000000   25.580000000000   14.310000000000
              52 H     14.940000000000   24.850000000000   12.160000000000
              53 H     13.230000000000   24.010000000000   12.320000000000
              54 H     15.780000000000   22.850000000000   11.890000000000
              55 H     14.350000000000   21.920000000000   12.150000000000
              56 H     16.620000000000   22.400000000000   13.900000000000
              57 H     15.210000000000   21.500000000000   14.340000000000
              58 H     16.010000000000   24.070000000000   15.220000000000
              59 H     14.680000000000   23.190000000000   15.830000000000
              60 C     11.760000000000   25.490000000000   19.230000000000
              61 C     11.990000000000   26.910000000000   18.780000000000
              62 C     13.060000000000   27.490000000000   19.710000000000
              63 C     13.720000000000   26.330000000000   20.460000000000
              64 C     12.900000000000   25.050000000000   20.180000000000
              65 H     11.790000000000   24.940000000000   18.330000000000
              66 H     10.750000000000   25.360000000000   19.630000000000
              67 H     11.120000000000   27.540000000000   18.680000000000
              68 H     12.330000000000   26.750000000000   17.760000000000
              69 H     12.620000000000   28.280000000000   20.300000000000
              70 H     13.800000000000   27.960000000000   19.150000000000
              71 H     13.720000000000   26.390000000000   21.490000000000
              72 H     14.790000000000   26.230000000000   20.080000000000
              73 H     12.520000000000   24.610000000000   21.110000000000
              74 H     13.520000000000   24.270000000000   19.650000000000
              75 C     22.260000000000   24.630000000000   16.820000000000
              76 C     22.210000000000   24.610000000000   15.240000000000
              77 C     23.180000000000   25.650000000000   14.710000000000
              78 C     23.630000000000   26.450000000000   15.920000000000
              79 C     23.170000000000   25.700000000000   17.260000000000
              80 H     22.730000000000   23.710000000000   17.150000000000
              81 H     21.300000000000   24.750000000000   17.250000000000
              82 H     21.170000000000   24.720000000000   14.900000000000
              83 H     22.480000000000   23.630000000000   14.830000000000
              84 H     22.670000000000   26.320000000000   14.030000000000
              85 H     24.030000000000   25.120000000000   14.320000000000
              86 H     23.300000000000   27.470000000000   15.960000000000
              87 H     24.720000000000   26.410000000000   15.830000000000
              88 H     22.630000000000   26.330000000000   17.990000000000
              89 H     24.050000000000   25.260000000000   17.760000000000
