-------------------------------------------------------------
----------------------- !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:    -1171.2208906417
# -----------------------------------------------------------
$ 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     6.1716     6.0000    -0.1716     3.9152     3.9152     0.0000
  1   0     6.1601     6.0000    -0.1601     3.8723     3.8723    -0.0000
  2   0     6.1760     6.0000    -0.1760     3.8723     3.8723    -0.0000
  3   0     6.1847     6.0000    -0.1847     3.8978     3.8978    -0.0000
  4   0     6.1495     6.0000    -0.1495     3.9029     3.9029     0.0000
  5   0     0.9111     1.0000     0.0889     0.9722     0.9722     0.0000
  6   0     0.9167     1.0000     0.0833     0.9789     0.9789     0.0000
  7   0     0.9083     1.0000     0.0917     0.9727     0.9727    -0.0000
  8   0     0.9356     1.0000     0.0644     0.9857     0.9857    -0.0000
  9   0     0.8977     1.0000     0.1023     0.9737     0.9737    -0.0000
 10   0     0.9378     1.0000     0.0622     0.9780     0.9780    -0.0000
 11   0     0.9188     1.0000     0.0812     0.9738     0.9738    -0.0000
 12   0     0.9106     1.0000     0.0894     0.9707     0.9707    -0.0000
 13   0     0.9133     1.0000     0.0867     0.9752     0.9752    -0.0000
 14   0     0.9132     1.0000     0.0868     0.9751     0.9751    -0.0000
 15   0     6.1972     6.0000    -0.1972     3.9168     3.9168    -0.0000
 16   0     6.1684     6.0000    -0.1684     3.8759     3.8759    -0.0000
 17   0     6.2080     6.0000    -0.2080     3.8978     3.8978    -0.0000
 18   0     6.1794     6.0000    -0.1794     3.8632     3.8632    -0.0000
 19   0     6.1326     6.0000    -0.1326     3.8951     3.8951    -0.0000
 20   0     0.9075     1.0000     0.0925     0.9696     0.9696    -0.0000
 21   0     0.9114     1.0000     0.0886     0.9707     0.9707    -0.0000
 22   0     0.9089     1.0000     0.0911     0.9730     0.9730    -0.0000
 23   0     0.9098     1.0000     0.0902     0.9758     0.9758    -0.0000
 24   0     0.9135     1.0000     0.0865     0.9702     0.9702    -0.0000
 25   0     0.9031     1.0000     0.0969     0.9737     0.9737    -0.0000
 26   0     0.9055     1.0000     0.0945     0.9713     0.9713     0.0000
 27   0     0.9243     1.0000     0.0757     0.9646     0.9646    -0.0000
 28   0     0.9162     1.0000     0.0838     0.9718     0.9718    -0.0000
 29   0     0.8975     1.0000     0.1025     0.9698     0.9698    -0.0000
 30   0     6.2304     6.0000    -0.2304     3.9366     3.9366    -0.0000
 31   0     6.0699     6.0000    -0.0699     3.8679     3.8679    -0.0000
 32   0     6.1378     6.0000    -0.1378     3.8983     3.8983    -0.0000
 33   0     6.2584     6.0000    -0.2584     3.9316     3.9316    -0.0000
 34   0     6.0537     6.0000    -0.0537     3.8500     3.8500    -0.0000
 35   0     0.9205     1.0000     0.0795     0.9788     0.9788    -0.0000
 36   0     0.9073     1.0000     0.0927     0.9685     0.9685    -0.0000
 37   0     0.9731     1.0000     0.0269     1.0170     1.0170    -0.0000
 38   0     0.9042     1.0000     0.0958     0.9743     0.9743    -0.0000
 39   0     0.9095     1.0000     0.0905     0.9762     0.9762    -0.0000
 40   0     0.9199     1.0000     0.0801     0.9795     0.9795    -0.0000
 41   0     0.9130     1.0000     0.0870     0.9699     0.9699    -0.0000
 42   0     0.9016     1.0000     0.0984     0.9758     0.9758    -0.0000
 43   0     0.9891     1.0000     0.0109     1.0149     1.0149    -0.0000
 44   0     0.9216     1.0000     0.0784     0.9857     0.9857     0.0000
 45   0     6.2095     6.0000    -0.2095     3.9040     3.9040    -0.0000
 46   0     6.1333     6.0000    -0.1333     3.8714     3.8714    -0.0000
 47   0     6.1758     6.0000    -0.1758     3.8706     3.8706    -0.0000
 48   0     6.1900     6.0000    -0.1900     3.9022     3.9022    -0.0000
 49   0     6.1183     6.0000    -0.1183     3.8823     3.8823    -0.0000
 50   0     0.9185     1.0000     0.0815     0.9716     0.9716    -0.0000
 51   0     0.9135     1.0000     0.0865     0.9770     0.9770    -0.0000
 52   0     0.9218     1.0000     0.0782     0.9760     0.9760    -0.0000
 53   0     0.9235     1.0000     0.0765     0.9742     0.9742    -0.0000
 54   0     0.9113     1.0000     0.0887     0.9715     0.9715     0.0000
 55   0     0.9308     1.0000     0.0692     0.9742     0.9742     0.0000
 56   0     0.9064     1.0000     0.0936     0.9768     0.9768    -0.0000
 57   0     0.9181     1.0000     0.0819     0.9741     0.9741    -0.0000
 58   0     0.9135     1.0000     0.0865     0.9758     0.9758     0.0000
 59   0     0.9159     1.0000     0.0841     0.9815     0.9815     0.0000
 60   0     6.0642     6.0000    -0.0642     3.8725     3.8725     0.0000
 61   0     6.2158     6.0000    -0.2158     3.8962     3.8962    -0.0000
 62   0     6.1780     6.0000    -0.1780     3.9000     3.9000    -0.0000
 63   0     6.1441     6.0000    -0.1441     3.8803     3.8803    -0.0000
 64   0     6.1828     6.0000    -0.1828     3.9116     3.9116     0.0000
 65   0     0.9502     1.0000     0.0498     0.9916     0.9916     0.0000
 66   0     0.9227     1.0000     0.0773     0.9799     0.9799     0.0000
 67   0     0.9132     1.0000     0.0868     0.9708     0.9708     0.0000
 68   0     0.9158     1.0000     0.0842     0.9696     0.9696    -0.0000
 69   0     0.9069     1.0000     0.0931     0.9736     0.9736    -0.0000
 70   0     0.9235     1.0000     0.0765     0.9776     0.9776    -0.0000
 71   0     0.9287     1.0000     0.0713     0.9765     0.9765    -0.0000
 72   0     0.9047     1.0000     0.0953     0.9744     0.9744     0.0000
 73   0     0.9182     1.0000     0.0818     0.9750     0.9750     0.0000
 74   0     0.9358     1.0000     0.0642     0.9824     0.9824     0.0000
 75   0     6.1422     6.0000    -0.1422     3.9004     3.9004     0.0000
 76   0     6.1516     6.0000    -0.1516     3.9165     3.9165     0.0000
 77   0     6.1667     6.0000    -0.1667     3.8584     3.8584    -0.0000
 78   0     6.1819     6.0000    -0.1819     3.8908     3.8908    -0.0000
 79   0     6.1615     6.0000    -0.1615     3.9023     3.9023    -0.0000
 80   0     0.9163     1.0000     0.0837     0.9785     0.9785    -0.0000
 81   0     0.9242     1.0000     0.0758     0.9744     0.9744     0.0000
 82   0     0.9151     1.0000     0.0849     0.9763     0.9763    -0.0000
 83   0     0.9207     1.0000     0.0793     0.9790     0.9790    -0.0000
 84   0     0.9268     1.0000     0.0732     0.9808     0.9808     0.0000
 85   0     0.9156     1.0000     0.0844     0.9741     0.9741     0.0000
 86   0     0.9128     1.0000     0.0872     0.9716     0.9716    -0.0000
 87   0     0.9245     1.0000     0.0755     0.9784     0.9784     0.0000
 88   0     0.9199     1.0000     0.0801     0.9800     0.9800    -0.0000
 89   0     0.9172     1.0000     0.0828     0.9726     0.9726    -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                0.969343
                0             6               4            6                0.982358
                0             6               5            1                0.990961
                0             6               6            1                0.995876
                1             6               2            6                0.970203
                1             6               7            1                0.979522
                1             6               8            1                0.992582
                2             6               3            6                0.962796
                2             6               9            1                0.980851
                2             6              10            1                0.996706
                3             6               4            6                0.972912
                3             6              11            1                0.998498
                3             6              12            1                0.992781
                4             6              13            1                0.993267
                4             6              14            1                0.984794
               15             6              16            6                0.968056
               15             6              19            6                0.986052
               15             6              20            1                0.987508
               15             6              21            1                0.993874
               16             6              17            6                0.970904
               16             6              22            1                0.996443
               16             6              23            1                0.990424
               17             6              18            6                0.964653
               17             6              24            1                0.992491
               17             6              25            1                0.987137
               18             6              19            6                0.967888
               18             6              26            1                0.989236
               18             6              27            1                0.993643
               19             6              28            1                0.982765
               19             6              29            1                0.986324
               30             6              31            6                0.965166
               30             6              34            6                0.957216
               30             6              35            1                1.006098
               30             6              36            1                0.993613
               31             6              32            6                0.972377
               31             6              37            1                0.999746
               31             6              38            1                0.982775
               32             6              33            6                0.976063
               32             6              39            1                0.986542
               32             6              40            1                0.991599
               33             6              34            6                0.972177
               33             6              41            1                0.991479
               33             6              42            1                0.980517
               34             6              43            1                0.998235
               34             6              44            1                0.995953
               45             6              46            6                0.964722
               45             6              49            6                0.971946
               45             6              50            1                0.994269
               45             6              51            1                0.991106
               46             6              47            6                0.955337
               46             6              52            1                0.996838
               46             6              53            1                1.000564
               47             6              48            6                0.969586
               47             6              54            1                0.985224
               47             6              55            1                1.001325
               48             6              49            6                0.971076
               48             6              56            1                0.985271
               48             6              57            1                0.999701
               49             6              58            1                0.981466
               49             6              59            1                0.992300
               60             6              61            6                0.957146
               60             6              64            6                0.975549
               60             6              65            1                0.998313
               60             6              66            1                0.990507
               61             6              62            6                0.968517
               61             6              67            1                0.992203
               61             6              68            1                0.996061
               62             6              63            6                0.976830
               62             6              69            1                0.985814
               62             6              70            1                0.995341
               63             6              64            6                0.963276
               63             6              71            1                0.992095
               63             6              72            1                0.980838
               64             6              73            1                0.995579
               64             6              74            1                0.992597
               75             6              76            6                0.982692
               75             6              79            6                0.974554
               75             6              80            1                0.991056
               75             6              81            1                0.990713
               76             6              77            6                0.962709
               76             6              82            1                0.990108
               76             6              83            1                0.997658
               77             6              78            6                0.957734
               77             6              84            1                0.990017
               77             6              85            1                0.992111
               78             6              79            6                0.979645
               78             6              86            1                0.987614
               78             6              87            1                0.999533
               79             6              88            1                0.990970
               79             6              89            1                0.987352
# -----------------------------------------------------------
$ 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     6.1789     6.0000    -0.1789     4.0235     3.7055     0.3180
  1   0     6.1680     6.0000    -0.1680     3.9843     3.6528     0.3315
  2   0     6.1837     6.0000    -0.1837     3.9848     3.6533     0.3315
  3   0     6.1922     6.0000    -0.1922     4.0079     3.6880     0.3199
  4   0     6.1573     6.0000    -0.1573     4.0103     3.6906     0.3197
  5   0     0.9074     1.0000     0.0926     0.9816     0.9304     0.0512
  6   0     0.9129     1.0000     0.0871     0.9882     0.9369     0.0513
  7   0     0.9044     1.0000     0.0956     0.9820     0.9294     0.0526
  8   0     0.9315     1.0000     0.0685     0.9954     0.9405     0.0549
  9   0     0.8938     1.0000     0.1062     0.9824     0.9287     0.0537
 10   0     0.9339     1.0000     0.0661     0.9882     0.9320     0.0562
 11   0     0.9151     1.0000     0.0849     0.9835     0.9307     0.0528
 12   0     0.9068     1.0000     0.0932     0.9799     0.9286     0.0513
 13   0     0.9095     1.0000     0.0905     0.9843     0.9333     0.0510
 14   0     0.9095     1.0000     0.0905     0.9844     0.9299     0.0545
 15   0     6.2051     6.0000    -0.2051     4.0280     3.7036     0.3244
 16   0     6.1761     6.0000    -0.1761     3.9872     3.6593     0.3279
 17   0     6.2160     6.0000    -0.2160     4.0129     3.6813     0.3316
 18   0     6.1870     6.0000    -0.1870     3.9763     3.6464     0.3299
 19   0     6.1408     6.0000    -0.1408     4.0038     3.6846     0.3192
 20   0     0.9036     1.0000     0.0964     0.9788     0.9286     0.0502
 21   0     0.9074     1.0000     0.0926     0.9800     0.9258     0.0542
 22   0     0.9050     1.0000     0.0950     0.9821     0.9297     0.0524
 23   0     0.9061     1.0000     0.0939     0.9851     0.9320     0.0531
 24   0     0.9096     1.0000     0.0904     0.9796     0.9255     0.0541
 25   0     0.8993     1.0000     0.1007     0.9826     0.9282     0.0544
 26   0     0.9013     1.0000     0.0987     0.9803     0.9275     0.0528
 27   0     0.9208     1.0000     0.0792     0.9753     0.9209     0.0544
 28   0     0.9120     1.0000     0.0880     0.9811     0.9295     0.0516
 29   0     0.8935     1.0000     0.1065     0.9783     0.9268     0.0515
 30   0     6.2391     6.0000    -0.2391     4.0501     3.7225     0.3276
 31   0     6.0776     6.0000    -0.0776     3.9711     3.6568     0.3143
 32   0     6.1455     6.0000    -0.1455     4.0061     3.6842     0.3219
 33   0     6.2660     6.0000    -0.2660     4.0480     3.7122     0.3358
 34   0     6.0618     6.0000    -0.0618     3.9552     3.6380     0.3172
 35   0     0.9165     1.0000     0.0835     0.9883     0.9371     0.0512
 36   0     0.9032     1.0000     0.0968     0.9774     0.9249     0.0525
 37   0     0.9694     1.0000     0.0306     1.0281     0.9754     0.0527
 38   0     0.9003     1.0000     0.0997     0.9832     0.9305     0.0527
 39   0     0.9055     1.0000     0.0945     0.9851     0.9312     0.0539
 40   0     0.9159     1.0000     0.0841     0.9890     0.9365     0.0525
 41   0     0.9089     1.0000     0.0911     0.9793     0.9232     0.0561
 42   0     0.8974     1.0000     0.1026     0.9844     0.9307     0.0537
 43   0     0.9853     1.0000     0.0147     1.0271     0.9714     0.0557
 44   0     0.9174     1.0000     0.0826     0.9947     0.9478     0.0469
 45   0     6.2168     6.0000    -0.2168     4.0154     3.6904     0.3250
 46   0     6.1409     6.0000    -0.1409     3.9768     3.6701     0.3067
 47   0     6.1838     6.0000    -0.1838     3.9808     3.6587     0.3221
 48   0     6.1972     6.0000    -0.1972     4.0124     3.6854     0.3270
 49   0     6.1258     6.0000    -0.1258     3.9882     3.6736     0.3146
 50   0     0.9147     1.0000     0.0853     0.9813     0.9266     0.0547
 51   0     0.9098     1.0000     0.0902     0.9866     0.9330     0.0536
 52   0     0.9180     1.0000     0.0820     0.9856     0.9349     0.0507
 53   0     0.9196     1.0000     0.0804     0.9837     0.9342     0.0495
 54   0     0.9076     1.0000     0.0924     0.9807     0.9280     0.0527
 55   0     0.9269     1.0000     0.0731     0.9841     0.9295     0.0546
 56   0     0.9027     1.0000     0.0973     0.9860     0.9324     0.0536
 57   0     0.9143     1.0000     0.0857     0.9837     0.9300     0.0537
 58   0     0.9099     1.0000     0.0901     0.9853     0.9328     0.0525
 59   0     0.9120     1.0000     0.0880     0.9906     0.9407     0.0499
 60   0     6.0714     6.0000    -0.0714     3.9736     3.6644     0.3092
 61   0     6.2236     6.0000    -0.2236     4.0091     3.6811     0.3280
 62   0     6.1852     6.0000    -0.1852     4.0095     3.6830     0.3265
 63   0     6.1518     6.0000    -0.1518     3.9892     3.6632     0.3260
 64   0     6.1903     6.0000    -0.1903     4.0193     3.7017     0.3176
 65   0     0.9469     1.0000     0.0531     1.0028     0.9469     0.0559
 66   0     0.9186     1.0000     0.0814     0.9892     0.9389     0.0503
 67   0     0.9095     1.0000     0.0905     0.9804     0.9272     0.0532
 68   0     0.9120     1.0000     0.0880     0.9791     0.9249     0.0542
 69   0     0.9032     1.0000     0.0968     0.9827     0.9289     0.0538
 70   0     0.9198     1.0000     0.0802     0.9875     0.9357     0.0518
 71   0     0.9249     1.0000     0.0751     0.9866     0.9303     0.0563
 72   0     0.9009     1.0000     0.0991     0.9835     0.9310     0.0525
 73   0     0.9141     1.0000     0.0859     0.9841     0.9349     0.0492
 74   0     0.9325     1.0000     0.0675     0.9936     0.9386     0.0550
 75   0     6.1499     6.0000    -0.1499     4.0067     3.6953     0.3114
 76   0     6.1596     6.0000    -0.1596     4.0237     3.7077     0.3160
 77   0     6.1741     6.0000    -0.1741     3.9678     3.6479     0.3199
 78   0     6.1896     6.0000    -0.1896     4.0016     3.6787     0.3229
 79   0     6.1693     6.0000    -0.1693     4.0103     3.6922     0.3181
 80   0     0.9124     1.0000     0.0876     0.9877     0.9374     0.0503
 81   0     0.9204     1.0000     0.0796     0.9841     0.9313     0.0528
 82   0     0.9113     1.0000     0.0887     0.9856     0.9339     0.0517
 83   0     0.9169     1.0000     0.0831     0.9885     0.9382     0.0503
 84   0     0.9226     1.0000     0.0774     0.9903     0.9378     0.0525
 85   0     0.9117     1.0000     0.0883     0.9835     0.9326     0.0509
 86   0     0.9090     1.0000     0.0910     0.9811     0.9272     0.0539
 87   0     0.9207     1.0000     0.0793     0.9880     0.9369     0.0511
 88   0     0.9160     1.0000     0.0840     0.9892     0.9378     0.0514
 89   0     0.9134     1.0000     0.0866     0.9821     0.9289     0.0532
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.905635
                0             6               4            6                0.920885
                0             6               5            1                0.950410
                0             6               6            1                0.955248
                1             6               2            6                0.903934
                1             6               7            1                0.937580
                1             6               8            1                0.948584
                2             6               3            6                0.901311
                2             6               9            1                0.937640
                2             6              10            1                0.951886
                3             6               4            6                0.910423
                3             6              11            1                0.956718
                3             6              12            1                0.951934
                4             6              13            1                0.952568
                4             6              14            1                0.941165
               15             6              16            6                0.901060
               15             6              19            6                0.926959
               15             6              20            1                0.947871
               15             6              21            1                0.950108
               16             6              17            6                0.908921
               16             6              22            1                0.954124
               16             6              23            1                0.948038
               17             6              18            6                0.900983
               17             6              24            1                0.949242
               17             6              25            1                0.943342
               18             6              19            6                0.902973
               18             6              26            1                0.947104
               18             6              27            1                0.950657
               19             6              28            1                0.941858
               19             6              29            1                0.944735
               30             6              31            6                0.903382
               30             6              34            6                0.891061
               30             6              35            1                0.965537
               30             6              36            1                0.951279
               31             6              32            6                0.909249
               31             6              37            1                0.959303
               31             6              38            1                0.940414
               32             6              33            6                0.913500
               32             6              39            1                0.943184
               32             6              40            1                0.950347
               33             6              34            6                0.908457
               33             6              41            1                0.945904
               33             6              42            1                0.937057
               34             6              43            1                0.955756
               34             6              44            1                0.958901
               45             6              46            6                0.903110
               45             6              49            6                0.910359
               45             6              50            1                0.950329
               45             6              51            1                0.948523
               46             6              47            6                0.897236
               46             6              52            1                0.956948
               46             6              53            1                0.961565
               47             6              48            6                0.904293
               47             6              54            1                0.943416
               47             6              55            1                0.957616
               48             6              49            6                0.908976
               48             6              56            1                0.942574
               48             6              57            1                0.956554
               49             6              58            1                0.940033
               49             6              59            1                0.952849
               60             6              61            6                0.896915
               60             6              64            6                0.914108
               60             6              65            1                0.954633
               60             6              66            1                0.950847
               61             6              62            6                0.902982
               61             6              67            1                0.950024
               61             6              68            1                0.952436
               62             6              63            6                0.912714
               62             6              69            1                0.942701
               62             6              70            1                0.954682
               63             6              64            6                0.900143
               63             6              71            1                0.947274
               63             6              72            1                0.939121
               64             6              73            1                0.956567
               64             6              74            1                0.950028
               75             6              76            6                0.921476
               75             6              79            6                0.915470
               75             6              80            1                0.951437
               75             6              81            1                0.949027
               76             6              77            6                0.899372
               76             6              82            1                0.949140
               76             6              83            1                0.958009
               77             6              78            6                0.896093
               77             6              84            1                0.948174
               77             6              85            1                0.951570
               78             6              79            6                0.915411
               78             6              86            1                0.944729
               78             6              87            1                0.959121
               79             6              88            1                0.950346
               79             6              89            1                0.945058
# -----------------------------------------------------------
$ 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     6.2294     6.0000    -0.2294     4.0099     3.6959     0.3140
  1   0     6.2210     6.0000    -0.2210     3.9762     3.6491     0.3271
  2   0     6.2254     6.0000    -0.2254     3.9754     3.6486     0.3268
  3   0     6.2405     6.0000    -0.2405     3.9987     3.6829     0.3158
  4   0     6.2045     6.0000    -0.2045     4.0017     3.6863     0.3154
  5   0     0.8837     1.0000     0.1163     0.9741     0.9239     0.0502
  6   0     0.8863     1.0000     0.1137     0.9775     0.9273     0.0502
  7   0     0.8834     1.0000     0.1166     0.9749     0.9233     0.0516
  8   0     0.9006     1.0000     0.0994     0.9851     0.9316     0.0535
  9   0     0.8742     1.0000     0.1258     0.9743     0.9216     0.0527
 10   0     0.9070     1.0000     0.0930     0.9807     0.9257     0.0550
 11   0     0.8901     1.0000     0.1099     0.9733     0.9216     0.0517
 12   0     0.8825     1.0000     0.1175     0.9712     0.9209     0.0503
 13   0     0.8869     1.0000     0.1131     0.9758     0.9257     0.0501
 14   0     0.8879     1.0000     0.1121     0.9762     0.9226     0.0536
 15   0     6.2519     6.0000    -0.2519     4.0182     3.6985     0.3197
 16   0     6.2258     6.0000    -0.2258     3.9796     3.6558     0.3238
 17   0     6.2558     6.0000    -0.2558     4.0030     3.6762     0.3268
 18   0     6.2307     6.0000    -0.2307     3.9637     3.6383     0.3254
 19   0     6.1938     6.0000    -0.1938     4.0023     3.6875     0.3148
 20   0     0.8790     1.0000     0.1210     0.9741     0.9250     0.0491
 21   0     0.8857     1.0000     0.1143     0.9719     0.9187     0.0532
 22   0     0.8820     1.0000     0.1180     0.9726     0.9212     0.0514
 23   0     0.8826     1.0000     0.1174     0.9787     0.9268     0.0519
 24   0     0.8868     1.0000     0.1132     0.9700     0.9169     0.0531
 25   0     0.8748     1.0000     0.1252     0.9741     0.9209     0.0532
 26   0     0.8786     1.0000     0.1214     0.9714     0.9198     0.0516
 27   0     0.8920     1.0000     0.1080     0.9676     0.9147     0.0529
 28   0     0.8928     1.0000     0.1072     0.9737     0.9230     0.0507
 29   0     0.8702     1.0000     0.1298     0.9721     0.9217     0.0504
 30   0     6.2697     6.0000    -0.2697     4.0059     3.6826     0.3233
 31   0     6.1484     6.0000    -0.1484     3.9717     3.6616     0.3101
 32   0     6.1940     6.0000    -0.1940     3.9948     3.6773     0.3175
 33   0     6.2908     6.0000    -0.2908     4.0253     3.6948     0.3305
 34   0     6.1479     6.0000    -0.1479     3.9622     3.6491     0.3131
 35   0     0.8906     1.0000     0.1094     0.9801     0.9301     0.0500
 36   0     0.8797     1.0000     0.1203     0.9712     0.9199     0.0513
 37   0     0.9343     1.0000     0.0657     1.0176     0.9662     0.0514
 38   0     0.8789     1.0000     0.1211     0.9769     0.9252     0.0517
 39   0     0.8817     1.0000     0.1183     0.9784     0.9257     0.0527
 40   0     0.8933     1.0000     0.1067     0.9813     0.9299     0.0514
 41   0     0.8874     1.0000     0.1126     0.9732     0.9183     0.0549
 42   0     0.8744     1.0000     0.1256     0.9757     0.9232     0.0525
 43   0     0.9500     1.0000     0.0500     1.0155     0.9612     0.0543
 44   0     0.8921     1.0000     0.1079     0.9882     0.9424     0.0458
 45   0     6.2591     6.0000    -0.2591     4.0024     3.6818     0.3206
 46   0     6.1987     6.0000    -0.1987     3.9585     3.6556     0.3029
 47   0     6.2301     6.0000    -0.2301     3.9636     3.6458     0.3178
 48   0     6.2378     6.0000    -0.2378     3.9944     3.6717     0.3227
 49   0     6.1852     6.0000    -0.1852     3.9911     3.6805     0.3106
 50   0     0.8902     1.0000     0.1098     0.9733     0.9196     0.0537
 51   0     0.8858     1.0000     0.1142     0.9786     0.9262     0.0524
 52   0     0.8906     1.0000     0.1094     0.9763     0.9267     0.0496
 53   0     0.8919     1.0000     0.1081     0.9750     0.9266     0.0484
 54   0     0.8847     1.0000     0.1153     0.9744     0.9227     0.0517
 55   0     0.8997     1.0000     0.1003     0.9748     0.9214     0.0534
 56   0     0.8806     1.0000     0.1194     0.9778     0.9252     0.0526
 57   0     0.8907     1.0000     0.1093     0.9750     0.9222     0.0528
 58   0     0.8877     1.0000     0.1123     0.9774     0.9258     0.0516
 59   0     0.8871     1.0000     0.1129     0.9811     0.9322     0.0489
 60   0     6.1369     6.0000    -0.1369     3.9685     3.6632     0.3053
 61   0     6.2649     6.0000    -0.2649     3.9929     3.6694     0.3235
 62   0     6.2323     6.0000    -0.2323     3.9961     3.6737     0.3224
 63   0     6.1945     6.0000    -0.1945     3.9763     3.6548     0.3215
 64   0     6.2482     6.0000    -0.2482     4.0039     3.6904     0.3135
 65   0     0.9127     1.0000     0.0873     0.9950     0.9406     0.0544
 66   0     0.8946     1.0000     0.1054     0.9805     0.9313     0.0492
 67   0     0.8855     1.0000     0.1145     0.9717     0.9195     0.0522
 68   0     0.8862     1.0000     0.1138     0.9711     0.9181     0.0530
 69   0     0.8810     1.0000     0.1190     0.9747     0.9218     0.0529
 70   0     0.8945     1.0000     0.1055     0.9789     0.9282     0.0507
 71   0     0.9012     1.0000     0.0988     0.9781     0.9228     0.0553
 72   0     0.8808     1.0000     0.1192     0.9784     0.9268     0.0516
 73   0     0.8869     1.0000     0.1131     0.9749     0.9269     0.0480
 74   0     0.9029     1.0000     0.0971     0.9860     0.9323     0.0537
 75   0     6.2022     6.0000    -0.2022     3.9953     3.6880     0.3073
 76   0     6.2095     6.0000    -0.2095     4.0050     3.6927     0.3123
 77   0     6.2279     6.0000    -0.2279     3.9677     3.6520     0.3157
 78   0     6.2352     6.0000    -0.2352     3.9795     3.6607     0.3188
 79   0     6.2182     6.0000    -0.2182     3.9955     3.6815     0.3140
 80   0     0.8871     1.0000     0.1129     0.9786     0.9294     0.0492
 81   0     0.8956     1.0000     0.1044     0.9759     0.9241     0.0518
 82   0     0.8881     1.0000     0.1119     0.9778     0.9271     0.0507
 83   0     0.8918     1.0000     0.1082     0.9797     0.9304     0.0493
 84   0     0.8956     1.0000     0.1044     0.9807     0.9293     0.0514
 85   0     0.8869     1.0000     0.1131     0.9758     0.9260     0.0498
 86   0     0.8862     1.0000     0.1138     0.9741     0.9212     0.0529
 87   0     0.8926     1.0000     0.1074     0.9784     0.9285     0.0499
 88   0     0.8900     1.0000     0.1100     0.9793     0.9290     0.0503
 89   0     0.8901     1.0000     0.1099     0.9751     0.9228     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                0.915052
                0             6               4            6                0.932030
                0             6               5            1                0.937873
                0             6               6            1                0.941067
                1             6               2            6                0.913126
                1             6               7            1                0.927396
                1             6               8            1                0.933331
                2             6               3            6                0.916127
                2             6               9            1                0.923004
                2             6              10            1                0.936962
                3             6               4            6                0.922393
                3             6              11            1                0.939498
                3             6              12            1                0.938889
                4             6              13            1                0.939912
                4             6              14            1                0.925617
               15             6              16            6                0.908344
               15             6              19            6                0.941578
               15             6              20            1                0.938595
               15             6              21            1                0.932303
               16             6              17            6                0.924615
               16             6              22            1                0.939526
               16             6              23            1                0.934002
               17             6              18            6                0.912792
               17             6              24            1                0.932356
               17             6              25            1                0.925342
               18             6              19            6                0.913159
               18             6              26            1                0.930085
               18             6              27            1                0.937015
               19             6              28            1                0.928078
               19             6              29            1                0.928510
               30             6              31            6                0.914803
               30             6              34            6                0.893444
               30             6              35            1                0.948997
               30             6              36            1                0.935897
               31             6              32            6                0.922474
               31             6              37            1                0.948792
               31             6              38            1                0.924592
               32             6              33            6                0.927044
               32             6              39            1                0.927541
               32             6              40            1                0.934714
               33             6              34            6                0.921471
               33             6              41            1                0.926646
               33             6              42            1                0.923326
               34             6              43            1                0.940967
               34             6              44            1                0.951193
               45             6              46            6                0.909760
               45             6              49            6                0.925015
               45             6              50            1                0.936930
               45             6              51            1                0.934433
               46             6              47            6                0.904601
               46             6              52            1                0.943151
               46             6              53            1                0.951138
               47             6              48            6                0.912882
               47             6              54            1                0.930775
               47             6              55            1                0.943452
               48             6              49            6                0.921608
               48             6              56            1                0.928593
               48             6              57            1                0.942004
               49             6              58            1                0.926887
               49             6              59            1                0.941125
               60             6              61            6                0.913854
               60             6              64            6                0.919440
               60             6              65            1                0.942432
               60             6              66            1                0.937334
               61             6              62            6                0.909863
               61             6              67            1                0.934184
               61             6              68            1                0.938385
               62             6              63            6                0.924541
               62             6              69            1                0.928343
               62             6              70            1                0.943120
               63             6              64            6                0.911453
               63             6              71            1                0.930952
               63             6              72            1                0.927965
               64             6              73            1                0.946174
               64             6              74            1                0.935786
               75             6              76            6                0.932101
               75             6              79            6                0.926488
               75             6              80            1                0.937924
               75             6              81            1                0.934449
               76             6              77            6                0.908605
               76             6              82            1                0.935851
               76             6              83            1                0.945191
               77             6              78            6                0.906171
               77             6              84            1                0.937868
               77             6              85            1                0.938628
               78             6              79            6                0.922131
               78             6              86            1                0.929497
               78             6              87            1                0.947882
               79             6              88            1                0.936939
               79             6              89            1                0.931891
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2208906417
        Correlation Energy:       -5.0636955195
        Total MP2 Energy:      -1176.2845861612
# -----------------------------------------------------------
$ 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) :        0.5515359942
        Electronic Contribution:
                  0    
      0      -0.061406
      1      -0.394692
      2      -0.350510
        Nuclear Contribution:
                  0    
      0       0.192801
      1       0.449870
      2       0.514137
        Total Dipole moment:
                  0    
      0       0.131396
      1       0.055178
      2       0.163627
# -----------------------------------------------------------
$ 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) :        0.5562783417
        Electronic Contribution:
                  0    
      0      -0.060793
      1      -0.394505
      2      -0.348593
        Nuclear Contribution:
                  0    
      0       0.192801
      1       0.449870
      2       0.514137
        Total Dipole moment:
                  0    
      0       0.132009
      1       0.055364
      2       0.165544
# -----------------------------------------------------------
$ 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) :        0.5365050303
        Electronic Contribution:
                  0    
      0      -0.067184
      1      -0.394609
      2      -0.353767
        Nuclear Contribution:
                  0    
      0       0.192801
      1       0.449870
      2       0.514137
        Total Dipole moment:
                  0    
      0       0.125617
      1       0.055261
      2       0.160370
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     20.200000000000   23.190000000000   15.840000000000
               1 C     19.300000000000   22.110000000000   15.160000000000
               2 C     19.850000000000   22.010000000000   13.680000000000
               3 C     20.560000000000   23.340000000000   13.410000000000
               4 C     20.680000000000   24.130000000000   14.730000000000
               5 H     20.940000000000   22.670000000000   16.430000000000
               6 H     19.610000000000   23.660000000000   16.610000000000
               7 H     18.200000000000   22.300000000000   15.120000000000
               8 H     19.470000000000   21.090000000000   15.580000000000
               9 H     19.080000000000   21.660000000000   12.910000000000
              10 H     20.660000000000   21.230000000000   13.640000000000
              11 H     20.050000000000   24.020000000000   12.730000000000
              12 H     21.480000000000   23.220000000000   12.850000000000
              13 H     20.040000000000   25.010000000000   14.730000000000
              14 H     21.750000000000   24.490000000000   14.920000000000
              15 C     18.820000000000   16.460000000000   16.890000000000
              16 C     17.560000000000   16.340000000000   15.910000000000
              17 C     16.950000000000   17.740000000000   15.750000000000
              18 C     18.050000000000   18.660000000000   16.360000000000
              19 C     18.920000000000   17.850000000000   17.380000000000
              20 H     19.710000000000   16.090000000000   16.440000000000
              21 H     18.520000000000   15.720000000000   17.690000000000
              22 H     16.820000000000   15.640000000000   16.340000000000
              23 H     17.820000000000   15.880000000000   14.940000000000
              24 H     15.970000000000   17.890000000000   16.280000000000
              25 H     16.600000000000   18.090000000000   14.730000000000
              26 H     17.680000000000   19.660000000000   16.680000000000
              27 H     18.710000000000   18.970000000000   15.570000000000
              28 H     18.440000000000   17.980000000000   18.360000000000
              29 H     19.950000000000   18.260000000000   17.440000000000
              30 C     23.000000000000   17.600000000000   15.070000000000
              31 C     23.350000000000   16.720000000000   13.890000000000
              32 C     22.330000000000   17.070000000000   12.810000000000
              33 C     21.080000000000   17.610000000000   13.530000000000
              34 C     21.570000000000   18.220000000000   14.850000000000
              35 H     23.650000000000   18.440000000000   15.120000000000
              36 H     23.100000000000   17.080000000000   16.050000000000
              37 H     23.160000000000   15.740000000000   14.210000000000
              38 H     24.420000000000   16.870000000000   13.560000000000
              39 H     22.050000000000   16.160000000000   12.190000000000
              40 H     22.860000000000   17.840000000000   12.240000000000
              41 H     20.410000000000   16.730000000000   13.840000000000
              42 H     20.490000000000   18.420000000000   13.000000000000
              43 H     20.980000000000   17.880000000000   15.680000000000
              44 H     21.650000000000   19.220000000000   14.820000000000
              45 C     26.800000000000   19.510000000000   13.650000000000
              46 C     27.970000000000   20.080000000000   14.470000000000
              47 C     29.010000000000   20.530000000000   13.550000000000
              48 C     28.390000000000   20.450000000000   12.100000000000
              49 C     27.170000000000   19.510000000000   12.160000000000
              50 H     25.870000000000   20.130000000000   13.810000000000
              51 H     26.520000000000   18.530000000000   14.090000000000
              52 H     28.420000000000   19.400000000000   15.150000000000
              53 H     27.660000000000   20.850000000000   15.110000000000
              54 H     30.020000000000   20.060000000000   13.680000000000
              55 H     29.120000000000   21.580000000000   13.880000000000
              56 H     29.240000000000   20.270000000000   11.380000000000
              57 H     28.060000000000   21.490000000000   11.890000000000
              58 H     27.430000000000   18.490000000000   11.790000000000
              59 H     26.410000000000   19.920000000000   11.530000000000
              60 C     18.850000000000   16.190000000000   10.820000000000
              61 C     18.890000000000   17.060000000000    9.590000000000
              62 C     17.760000000000   18.160000000000    9.740000000000
              63 C     16.860000000000   17.650000000000   10.910000000000
              64 C     17.630000000000   16.530000000000   11.640000000000
              65 H     19.810000000000   16.410000000000   11.330000000000
              66 H     18.800000000000   15.160000000000   10.550000000000
              67 H     18.750000000000   16.640000000000    8.580000000000
              68 H     19.900000000000   17.520000000000    9.440000000000
              69 H     17.180000000000   18.410000000000    8.790000000000
              70 H     18.210000000000   19.080000000000   10.050000000000
              71 H     16.010000000000   17.050000000000   10.440000000000
              72 H     16.490000000000   18.440000000000   11.610000000000
              73 H     17.040000000000   15.680000000000   11.820000000000
              74 H     18.010000000000   16.800000000000   12.630000000000
              75 C     23.620000000000   10.870000000000   16.650000000000
              76 C     22.830000000000   11.750000000000   15.680000000000
              77 C     23.160000000000   13.240000000000   15.950000000000
              78 C     24.200000000000   13.160000000000   17.060000000000
              79 C     24.740000000000   11.690000000000   17.170000000000
              80 H     23.990000000000    9.950000000000   16.240000000000
              81 H     23.010000000000   10.540000000000   17.510000000000
              82 H     21.740000000000   11.640000000000   15.710000000000
              83 H     23.130000000000   11.530000000000   14.690000000000
              84 H     22.230000000000   13.770000000000   16.240000000000
              85 H     23.610000000000   13.790000000000   15.140000000000
              86 H     23.830000000000   13.600000000000   18.030000000000
              87 H     25.010000000000   13.790000000000   16.800000000000
              88 H     24.950000000000   11.430000000000   18.200000000000
              89 H     25.720000000000   11.560000000000   16.630000000000
