-------------------------------------------------------------
----------------------- !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:    -1171.1820255891
# -----------------------------------------------------------
$ 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     6.1151     6.0000    -0.1151     3.8820     3.8820     0.0000
  1   0     6.2096     6.0000    -0.2096     3.8252     3.8252     0.0000
  2   0     6.1616     6.0000    -0.1616     3.8656     3.8656    -0.0000
  3   0     6.1894     6.0000    -0.1894     3.8945     3.8945    -0.0000
  4   0     6.1318     6.0000    -0.1318     3.9270     3.9270     0.0000
  5   0     0.9040     1.0000     0.0960     0.9707     0.9707     0.0000
  6   0     0.9385     1.0000     0.0615     0.9923     0.9923     0.0000
  7   0     0.9138     1.0000     0.0862     0.9727     0.9727     0.0000
  8   0     0.9413     1.0000     0.0587     0.9803     0.9803     0.0000
  9   0     0.9435     1.0000     0.0565     0.9885     0.9885     0.0000
 10   0     0.9064     1.0000     0.0936     0.9698     0.9698    -0.0000
 11   0     0.9054     1.0000     0.0946     0.9740     0.9740     0.0000
 12   0     0.9005     1.0000     0.0995     0.9698     0.9698    -0.0000
 13   0     0.9112     1.0000     0.0888     0.9749     0.9749    -0.0000
 14   0     0.9187     1.0000     0.0813     0.9734     0.9734    -0.0000
 15   0     6.1635     6.0000    -0.1635     3.9020     3.9020    -0.0000
 16   0     6.1678     6.0000    -0.1678     3.9298     3.9298    -0.0000
 17   0     6.1684     6.0000    -0.1684     3.8814     3.8814    -0.0000
 18   0     6.2116     6.0000    -0.2116     3.9292     3.9292    -0.0000
 19   0     6.1069     6.0000    -0.1069     3.8838     3.8838    -0.0000
 20   0     0.9295     1.0000     0.0705     0.9818     0.9818    -0.0000
 21   0     0.9191     1.0000     0.0809     0.9774     0.9774    -0.0000
 22   0     0.9043     1.0000     0.0957     0.9767     0.9767    -0.0000
 23   0     0.9269     1.0000     0.0731     0.9808     0.9808    -0.0000
 24   0     0.9113     1.0000     0.0887     0.9820     0.9820     0.0000
 25   0     0.9155     1.0000     0.0845     0.9755     0.9755     0.0000
 26   0     0.9104     1.0000     0.0896     0.9719     0.9719    -0.0000
 27   0     0.9215     1.0000     0.0785     0.9778     0.9778    -0.0000
 28   0     0.9366     1.0000     0.0634     0.9842     0.9842    -0.0000
 29   0     0.9071     1.0000     0.0929     0.9782     0.9782    -0.0000
 30   0     6.1838     6.0000    -0.1838     3.8864     3.8864    -0.0000
 31   0     6.1788     6.0000    -0.1788     3.8955     3.8955     0.0000
 32   0     6.1300     6.0000    -0.1300     3.9002     3.9002     0.0000
 33   0     6.1916     6.0000    -0.1916     3.9249     3.9249    -0.0000
 34   0     6.0888     6.0000    -0.0888     3.8713     3.8713    -0.0000
 35   0     0.9054     1.0000     0.0946     0.9704     0.9704     0.0000
 36   0     0.9196     1.0000     0.0804     0.9746     0.9746    -0.0000
 37   0     0.9135     1.0000     0.0865     0.9798     0.9798    -0.0000
 38   0     0.9453     1.0000     0.0547     0.9943     0.9943    -0.0000
 39   0     0.8963     1.0000     0.1037     0.9697     0.9697    -0.0000
 40   0     0.9347     1.0000     0.0653     0.9793     0.9793     0.0000
 41   0     0.9203     1.0000     0.0797     0.9713     0.9713    -0.0000
 42   0     0.8937     1.0000     0.1063     0.9627     0.9627    -0.0000
 43   0     0.9000     1.0000     0.1000     0.9714     0.9714     0.0000
 44   0     1.0110     1.0000    -0.0110     1.0244     1.0244    -0.0000
 45   0     6.1990     6.0000    -0.1990     3.9217     3.9217    -0.0000
 46   0     6.1317     6.0000    -0.1317     3.8544     3.8544    -0.0000
 47   0     6.2339     6.0000    -0.2339     3.9011     3.9011     0.0000
 48   0     6.1151     6.0000    -0.1151     3.8619     3.8619     0.0000
 49   0     6.1519     6.0000    -0.1519     3.8828     3.8828    -0.0000
 50   0     0.8987     1.0000     0.1013     0.9740     0.9740    -0.0000
 51   0     0.9307     1.0000     0.0693     0.9792     0.9792    -0.0000
 52   0     0.9100     1.0000     0.0900     0.9770     0.9770    -0.0000
 53   0     0.9199     1.0000     0.0801     0.9836     0.9836     0.0000
 54   0     0.9079     1.0000     0.0921     0.9731     0.9731     0.0000
 55   0     0.9187     1.0000     0.0813     0.9716     0.9716    -0.0000
 56   0     0.9161     1.0000     0.0839     0.9797     0.9797     0.0000
 57   0     0.9283     1.0000     0.0717     0.9809     0.9809     0.0000
 58   0     0.9238     1.0000     0.0762     0.9786     0.9786     0.0000
 59   0     0.9147     1.0000     0.0853     0.9813     0.9813     0.0000
 60   0     6.1653     6.0000    -0.1653     3.9132     3.9132    -0.0000
 61   0     6.1360     6.0000    -0.1360     3.8594     3.8594    -0.0000
 62   0     6.1582     6.0000    -0.1582     3.8857     3.8857    -0.0000
 63   0     6.1752     6.0000    -0.1752     3.8907     3.8907    -0.0000
 64   0     6.1575     6.0000    -0.1575     3.9120     3.9120    -0.0000
 65   0     0.9123     1.0000     0.0877     0.9760     0.9760     0.0000
 66   0     0.9247     1.0000     0.0753     0.9767     0.9767     0.0000
 67   0     0.9563     1.0000     0.0437     0.9763     0.9763    -0.0000
 68   0     0.9212     1.0000     0.0788     0.9794     0.9794    -0.0000
 69   0     0.9114     1.0000     0.0886     0.9800     0.9800    -0.0000
 70   0     0.9308     1.0000     0.0692     0.9791     0.9791    -0.0000
 71   0     0.9237     1.0000     0.0763     0.9782     0.9782    -0.0000
 72   0     0.9120     1.0000     0.0880     0.9704     0.9704     0.0000
 73   0     0.8989     1.0000     0.1011     0.9721     0.9721    -0.0000
 74   0     0.9148     1.0000     0.0852     0.9805     0.9805    -0.0000
 75   0     6.1437     6.0000    -0.1437     3.9288     3.9288    -0.0000
 76   0     6.0742     6.0000    -0.0742     3.8391     3.8391    -0.0000
 77   0     6.2414     6.0000    -0.2414     3.9355     3.9355     0.0000
 78   0     6.0923     6.0000    -0.0923     3.8528     3.8528    -0.0000
 79   0     6.2256     6.0000    -0.2256     3.9227     3.9227    -0.0000
 80   0     0.9136     1.0000     0.0864     0.9761     0.9761     0.0000
 81   0     0.9327     1.0000     0.0673     0.9829     0.9829     0.0000
 82   0     0.9450     1.0000     0.0550     0.9834     0.9834    -0.0000
 83   0     0.9299     1.0000     0.0701     0.9763     0.9763    -0.0000
 84   0     0.9027     1.0000     0.0973     0.9789     0.9789     0.0000
 85   0     0.9187     1.0000     0.0813     0.9705     0.9705     0.0000
 86   0     0.9104     1.0000     0.0896     0.9757     0.9757     0.0000
 87   0     0.9339     1.0000     0.0661     0.9784     0.9784    -0.0000
 88   0     0.9229     1.0000     0.0771     0.9725     0.9725    -0.0000
 89   0     0.9104     1.0000     0.0896     0.9737     0.9737    -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                0.947324
                0             6               4            6                0.988085
                0             6               5            1                0.982938
                0             6               6            1                1.003400
                1             6               2            6                0.934997
                1             6               7            1                1.000589
                1             6               8            1                0.998321
                2             6               3            6                0.962569
                2             6               9            1                1.007068
                2             6              10            1                0.991937
                3             6               4            6                0.976270
                3             6              11            1                0.998534
                3             6              12            1                0.985852
                4             6              13            1                0.997771
                4             6              14            1                0.987746
               15             6              16            6                0.988653
               15             6              19            6                0.966601
               15             6              20            1                0.989057
               15             6              21            1                0.983391
               16             6              17            6                0.976052
               16             6              22            1                0.982141
               16             6              23            1                0.991117
               17             6              18            6                0.969420
               17             6              24            1                0.989431
               17             6              25            1                0.993165
               18             6              19            6                0.980736
               18             6              26            1                0.981361
               18             6              27            1                0.995895
               19             6              28            1                0.989795
               19             6              29            1                0.981695
               30             6              31            6                0.969272
               30             6              34            6                0.956958
               30             6              35            1                0.990515
               30             6              36            1                0.996015
               31             6              32            6                0.968960
               31             6              37            1                0.990400
               31             6              38            1                1.002360
               32             6              33            6                0.979481
               32             6              39            1                0.981933
               32             6              40            1                1.003893
               33             6              34            6                0.961318
               33             6              41            1                0.985941
               33             6              42            1                0.993286
               34             6              43            1                0.979569
               34             6              44            1                1.002890
               45             6              46            6                0.964020
               45             6              49            6                0.974474
               45             6              50            1                0.989557
               45             6              51            1                0.998246
               46             6              47            6                0.958663
               46             6              52            1                0.982501
               46             6              53            1                1.000123
               47             6              48            6                0.967803
               47             6              54            1                0.989977
               47             6              55            1                0.996616
               48             6              49            6                0.958641
               48             6              56            1                0.987065
               48             6              57            1                0.994785
               49             6              58            1                0.995179
               49             6              59            1                0.990630
               60             6              61            6                0.952266
               60             6              64            6                0.992487
               60             6              65            1                0.989845
               60             6              66            1                0.999727
               61             6              62            6                0.961369
               61             6              67            1                0.996229
               61             6              68            1                1.001188
               62             6              63            6                0.962831
               62             6              69            1                0.995427
               62             6              70            1                0.991744
               63             6              64            6                0.976742
               63             6              71            1                0.999924
               63             6              72            1                0.989723
               64             6              73            1                0.979160
               64             6              74            1                0.984685
               75             6              76            6                0.973772
               75             6              79            6                0.989623
               75             6              80            1                0.989975
               75             6              81            1                0.986466
               76             6              77            6                0.958298
               76             6              82            1                0.987241
               76             6              83            1                1.000514
               77             6              78            6                0.977577
               77             6              84            1                0.990308
               77             6              85            1                0.995728
               78             6              79            6                0.963751
               78             6              86            1                0.989746
               78             6              87            1                0.997518
               79             6              88            1                0.990462
               79             6              89            1                0.998453
# -----------------------------------------------------------
$ 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     6.1236     6.0000    -0.1236     3.9900     3.6704     0.3196
  1   0     6.2175     6.0000    -0.2175     3.9445     3.6106     0.3339
  2   0     6.1687     6.0000    -0.1687     3.9762     3.6518     0.3244
  3   0     6.1984     6.0000    -0.1984     4.0092     3.6798     0.3294
  4   0     6.1394     6.0000    -0.1394     4.0317     3.7193     0.3124
  5   0     0.9002     1.0000     0.0998     0.9796     0.9287     0.0509
  6   0     0.9343     1.0000     0.0657     1.0017     0.9498     0.0519
  7   0     0.9098     1.0000     0.0902     0.9817     0.9290     0.0527
  8   0     0.9373     1.0000     0.0627     0.9915     0.9370     0.0545
  9   0     0.9398     1.0000     0.0602     0.9993     0.9442     0.0551
 10   0     0.9021     1.0000     0.0979     0.9784     0.9291     0.0493
 11   0     0.9013     1.0000     0.0987     0.9826     0.9294     0.0532
 12   0     0.8966     1.0000     0.1034     0.9786     0.9243     0.0543
 13   0     0.9072     1.0000     0.0928     0.9839     0.9361     0.0478
 14   0     0.9145     1.0000     0.0855     0.9829     0.9329     0.0500
 15   0     6.1713     6.0000    -0.1713     4.0109     3.6901     0.3208
 16   0     6.1763     6.0000    -0.1763     4.0397     3.7157     0.3240
 17   0     6.1754     6.0000    -0.1754     3.9891     3.6695     0.3196
 18   0     6.2200     6.0000    -0.2200     4.0418     3.7117     0.3301
 19   0     6.1146     6.0000    -0.1146     3.9895     3.6739     0.3156
 20   0     0.9256     1.0000     0.0744     0.9917     0.9415     0.0502
 21   0     0.9151     1.0000     0.0849     0.9868     0.9335     0.0533
 22   0     0.9003     1.0000     0.0997     0.9854     0.9346     0.0508
 23   0     0.9229     1.0000     0.0771     0.9904     0.9376     0.0528
 24   0     0.9076     1.0000     0.0924     0.9911     0.9409     0.0502
 25   0     0.9117     1.0000     0.0883     0.9848     0.9316     0.0532
 26   0     0.9065     1.0000     0.0935     0.9811     0.9251     0.0560
 27   0     0.9176     1.0000     0.0824     0.9873     0.9347     0.0526
 28   0     0.9326     1.0000     0.0674     0.9942     0.9412     0.0530
 29   0     0.9031     1.0000     0.0969     0.9871     0.9372     0.0499
 30   0     6.1918     6.0000    -0.1918     3.9987     3.6759     0.3228
 31   0     6.1865     6.0000    -0.1865     4.0059     3.6786     0.3273
 32   0     6.1373     6.0000    -0.1373     4.0055     3.6911     0.3144
 33   0     6.2011     6.0000    -0.2011     4.0390     3.7095     0.3295
 34   0     6.0948     6.0000    -0.0948     3.9736     3.6517     0.3219
 35   0     0.9014     1.0000     0.0986     0.9793     0.9291     0.0502
 36   0     0.9155     1.0000     0.0845     0.9844     0.9340     0.0504
 37   0     0.9096     1.0000     0.0904     0.9891     0.9364     0.0527
 38   0     0.9418     1.0000     0.0582     1.0051     0.9508     0.0543
 39   0     0.8923     1.0000     0.1077     0.9782     0.9301     0.0481
 40   0     0.9308     1.0000     0.0692     0.9892     0.9367     0.0525
 41   0     0.9161     1.0000     0.0839     0.9810     0.9258     0.0552
 42   0     0.8896     1.0000     0.1104     0.9711     0.9222     0.0489
 43   0     0.8959     1.0000     0.1041     0.9801     0.9279     0.0522
 44   0     1.0081     1.0000    -0.0081     1.0385     0.9771     0.0614
 45   0     6.2067     6.0000    -0.2067     4.0335     3.7072     0.3263
 46   0     6.1391     6.0000    -0.1391     3.9628     3.6399     0.3229
 47   0     6.2416     6.0000    -0.2416     4.0161     3.6832     0.3329
 48   0     6.1229     6.0000    -0.1229     3.9682     3.6540     0.3142
 49   0     6.1593     6.0000    -0.1593     3.9917     3.6712     0.3205
 50   0     0.8948     1.0000     0.1052     0.9826     0.9339     0.0487
 51   0     0.9271     1.0000     0.0729     0.9895     0.9333     0.0562
 52   0     0.9062     1.0000     0.0938     0.9861     0.9311     0.0550
 53   0     0.9161     1.0000     0.0839     0.9929     0.9430     0.0499
 54   0     0.9043     1.0000     0.0957     0.9825     0.9296     0.0529
 55   0     0.9148     1.0000     0.0852     0.9812     0.9261     0.0551
 56   0     0.9122     1.0000     0.0878     0.9889     0.9384     0.0505
 57   0     0.9244     1.0000     0.0756     0.9908     0.9413     0.0495
 58   0     0.9201     1.0000     0.0799     0.9884     0.9345     0.0539
 59   0     0.9108     1.0000     0.0892     0.9905     0.9408     0.0497
 60   0     6.1728     6.0000    -0.1728     4.0204     3.7041     0.3163
 61   0     6.1433     6.0000    -0.1433     3.9658     3.6528     0.3130
 62   0     6.1657     6.0000    -0.1657     3.9941     3.6781     0.3160
 63   0     6.1829     6.0000    -0.1829     4.0011     3.6749     0.3262
 64   0     6.1653     6.0000    -0.1653     4.0214     3.6911     0.3303
 65   0     0.9086     1.0000     0.0914     0.9854     0.9361     0.0493
 66   0     0.9208     1.0000     0.0792     0.9863     0.9358     0.0505
 67   0     0.9527     1.0000     0.0473     0.9882     0.9298     0.0584
 68   0     0.9173     1.0000     0.0827     0.9887     0.9417     0.0470
 69   0     0.9074     1.0000     0.0926     0.9887     0.9401     0.0486
 70   0     0.9270     1.0000     0.0730     0.9889     0.9352     0.0537
 71   0     0.9200     1.0000     0.0800     0.9879     0.9362     0.0517
 72   0     0.9083     1.0000     0.0917     0.9799     0.9260     0.0539
 73   0     0.8951     1.0000     0.1049     0.9808     0.9292     0.0516
 74   0     0.9111     1.0000     0.0889     0.9897     0.9347     0.0550
 75   0     6.1511     6.0000    -0.1511     4.0339     3.7197     0.3142
 76   0     6.0816     6.0000    -0.0816     3.9437     3.6308     0.3129
 77   0     6.2490     6.0000    -0.2490     4.0487     3.7194     0.3293
 78   0     6.1000     6.0000    -0.1000     3.9579     3.6434     0.3145
 79   0     6.2337     6.0000    -0.2337     4.0345     3.7129     0.3216
 80   0     0.9096     1.0000     0.0904     0.9851     0.9352     0.0499
 81   0     0.9292     1.0000     0.0708     0.9935     0.9386     0.0549
 82   0     0.9417     1.0000     0.0583     0.9953     0.9407     0.0546
 83   0     0.9257     1.0000     0.0743     0.9858     0.9341     0.0517
 84   0     0.8991     1.0000     0.1009     0.9879     0.9364     0.0515
 85   0     0.9149     1.0000     0.0851     0.9800     0.9254     0.0546
 86   0     0.9064     1.0000     0.0936     0.9847     0.9367     0.0480
 87   0     0.9300     1.0000     0.0700     0.9885     0.9334     0.0551
 88   0     0.9191     1.0000     0.0809     0.9821     0.9276     0.0545
 89   0     0.9065     1.0000     0.0935     0.9828     0.9317     0.0511
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.885332
                0             6               4            6                0.923341
                0             6               5            1                0.942376
                0             6               6            1                0.962155
                1             6               2            6                0.869625
                1             6               7            1                0.957705
                1             6               8            1                0.955968
                2             6               3            6                0.900820
                2             6               9            1                0.963655
                2             6              10            1                0.952403
                3             6               4            6                0.914277
                3             6              11            1                0.955028
                3             6              12            1                0.941893
                4             6              13            1                0.959908
                4             6              14            1                0.948500
               15             6              16            6                0.923956
               15             6              19            6                0.904111
               15             6              20            1                0.950252
               15             6              21            1                0.941370
               16             6              17            6                0.913316
               16             6              22            1                0.941577
               16             6              23            1                0.949272
               17             6              18            6                0.905453
               17             6              24            1                0.949953
               17             6              25            1                0.950588
               18             6              19            6                0.918198
               18             6              26            1                0.936480
               18             6              27            1                0.954137
               19             6              28            1                0.948274
               19             6              29            1                0.942657
               30             6              31            6                0.903056
               30             6              34            6                0.895028
               30             6              35            1                0.950462
               30             6              36            1                0.956646
               31             6              32            6                0.905610
               31             6              37            1                0.948451
               31             6              38            1                0.959997
               32             6              33            6                0.916948
               32             6              39            1                0.944080
               32             6              40            1                0.962001
               33             6              34            6                0.896073
               33             6              41            1                0.941734
               33             6              42            1                0.953720
               34             6              43            1                0.937578
               34             6              44            1                0.956424
               45             6              46            6                0.900850
               45             6              49            6                0.910795
               45             6              50            1                0.950910
               45             6              51            1                0.953478
               46             6              47            6                0.894410
               46             6              52            1                0.938253
               46             6              53            1                0.960586
               47             6              48            6                0.904283
               47             6              54            1                0.947745
               47             6              55            1                0.952268
               48             6              49            6                0.895811
               48             6              56            1                0.947359
               48             6              57            1                0.956330
               49             6              58            1                0.952411
               49             6              59            1                0.951721
               60             6              61            6                0.890608
               60             6              64            6                0.927085
               60             6              65            1                0.951285
               60             6              66            1                0.959683
               61             6              62            6                0.901706
               61             6              67            1                0.950653
               61             6              68            1                0.964330
               62             6              63            6                0.899934
               62             6              69            1                0.956629
               62             6              70            1                0.949186
               63             6              64            6                0.910828
               63             6              71            1                0.958857
               63             6              72            1                0.946651
               64             6              73            1                0.937711
               64             6              74            1                0.940384
               75             6              76            6                0.912907
               75             6              79            6                0.928032
               75             6              80            1                0.950262
               75             6              81            1                0.943578
               76             6              77            6                0.896093
               76             6              82            1                0.945794
               76             6              83            1                0.958994
               77             6              78            6                0.912679
               77             6              84            1                0.949398
               77             6              85            1                0.951846
               78             6              79            6                0.903019
               78             6              86            1                0.952123
               78             6              87            1                0.953432
               79             6              88            1                0.946956
               79             6              89            1                0.957622
# -----------------------------------------------------------
$ 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     6.1816     6.0000    -0.1816     3.9741     3.6585     0.3156
  1   0     6.2651     6.0000    -0.2651     3.9298     3.6003     0.3295
  2   0     6.2290     6.0000    -0.2290     3.9694     3.6492     0.3202
  3   0     6.2398     6.0000    -0.2398     3.9935     3.6688     0.3247
  4   0     6.1983     6.0000    -0.1983     4.0122     3.7035     0.3087
  5   0     0.8781     1.0000     0.1219     0.9737     0.9239     0.0498
  6   0     0.9024     1.0000     0.0976     0.9926     0.9420     0.0506
  7   0     0.8817     1.0000     0.1183     0.9736     0.9222     0.0514
  8   0     0.9120     1.0000     0.0880     0.9882     0.9353     0.0529
  9   0     0.9052     1.0000     0.0948     0.9887     0.9352     0.0535
 10   0     0.8799     1.0000     0.1201     0.9729     0.9247     0.0482
 11   0     0.8763     1.0000     0.1237     0.9752     0.9232     0.0520
 12   0     0.8751     1.0000     0.1249     0.9730     0.9198     0.0532
 13   0     0.8812     1.0000     0.1188     0.9780     0.9314     0.0466
 14   0     0.8921     1.0000     0.1079     0.9799     0.9311     0.0488
 15   0     6.2228     6.0000    -0.2228     3.9996     3.6831     0.3165
 16   0     6.2196     6.0000    -0.2196     4.0200     3.7003     0.3197
 17   0     6.2230     6.0000    -0.2230     3.9872     3.6718     0.3154
 18   0     6.2522     6.0000    -0.2522     4.0240     3.6987     0.3253
 19   0     6.1664     6.0000    -0.1664     3.9800     3.6684     0.3116
 20   0     0.8990     1.0000     0.1010     0.9883     0.9392     0.0491
 21   0     0.8914     1.0000     0.1086     0.9781     0.9259     0.0522
 22   0     0.8806     1.0000     0.1194     0.9783     0.9283     0.0500
 23   0     0.8989     1.0000     0.1011     0.9818     0.9301     0.0517
 24   0     0.8856     1.0000     0.1144     0.9819     0.9327     0.0492
 25   0     0.8876     1.0000     0.1124     0.9761     0.9239     0.0522
 26   0     0.8865     1.0000     0.1135     0.9743     0.9193     0.0550
 27   0     0.8945     1.0000     0.1055     0.9788     0.9272     0.0516
 28   0     0.9093     1.0000     0.0907     0.9849     0.9328     0.0521
 29   0     0.8828     1.0000     0.1172     0.9809     0.9320     0.0489
 30   0     6.2368     6.0000    -0.2368     3.9796     3.6610     0.3186
 31   0     6.2342     6.0000    -0.2342     3.9829     3.6599     0.3230
 32   0     6.1961     6.0000    -0.1961     3.9927     3.6822     0.3105
 33   0     6.2491     6.0000    -0.2491     4.0170     3.6921     0.3249
 34   0     6.1566     6.0000    -0.1566     3.9704     3.6528     0.3176
 35   0     0.8780     1.0000     0.1220     0.9739     0.9248     0.0491
 36   0     0.8903     1.0000     0.1097     0.9738     0.9245     0.0493
 37   0     0.8851     1.0000     0.1149     0.9794     0.9278     0.0516
 38   0     0.9109     1.0000     0.0891     0.9984     0.9454     0.0530
 39   0     0.8733     1.0000     0.1267     0.9731     0.9259     0.0472
 40   0     0.8990     1.0000     0.1010     0.9809     0.9297     0.0512
 41   0     0.8938     1.0000     0.1062     0.9726     0.9184     0.0542
 42   0     0.8672     1.0000     0.1328     0.9685     0.9208     0.0477
 43   0     0.8771     1.0000     0.1229     0.9734     0.9221     0.0513
 44   0     0.9597     1.0000     0.0403     1.0267     0.9672     0.0595
 45   0     6.2535     6.0000    -0.2535     4.0192     3.6969     0.3223
 46   0     6.1941     6.0000    -0.1941     3.9639     3.6452     0.3187
 47   0     6.2776     6.0000    -0.2776     3.9905     3.6620     0.3285
 48   0     6.1835     6.0000    -0.1835     3.9582     3.6478     0.3104
 49   0     6.2057     6.0000    -0.2057     3.9753     3.6588     0.3165
 50   0     0.8739     1.0000     0.1261     0.9751     0.9273     0.0478
 51   0     0.8973     1.0000     0.1027     0.9799     0.9250     0.0549
 52   0     0.8822     1.0000     0.1178     0.9786     0.9247     0.0539
 53   0     0.8918     1.0000     0.1082     0.9828     0.9339     0.0489
 54   0     0.8812     1.0000     0.1188     0.9754     0.9235     0.0519
 55   0     0.8888     1.0000     0.1112     0.9723     0.9183     0.0540
 56   0     0.8877     1.0000     0.1123     0.9809     0.9315     0.0494
 57   0     0.8988     1.0000     0.1012     0.9824     0.9339     0.0485
 58   0     0.8967     1.0000     0.1033     0.9805     0.9276     0.0529
 59   0     0.8866     1.0000     0.1134     0.9824     0.9337     0.0487
 60   0     6.2271     6.0000    -0.2271     3.9990     3.6864     0.3126
 61   0     6.2055     6.0000    -0.2055     3.9437     3.6348     0.3089
 62   0     6.2206     6.0000    -0.2206     3.9736     3.6616     0.3120
 63   0     6.2350     6.0000    -0.2350     3.9866     3.6643     0.3223
 64   0     6.2055     6.0000    -0.2055     4.0063     3.6803     0.3260
 65   0     0.8842     1.0000     0.1158     0.9783     0.9301     0.0482
 66   0     0.8923     1.0000     0.1077     0.9780     0.9287     0.0493
 67   0     0.9181     1.0000     0.0819     0.9800     0.9231     0.0569
 68   0     0.8874     1.0000     0.1126     0.9793     0.9335     0.0458
 69   0     0.8772     1.0000     0.1228     0.9805     0.9331     0.0474
 70   0     0.8992     1.0000     0.1008     0.9784     0.9258     0.0526
 71   0     0.8926     1.0000     0.1074     0.9787     0.9281     0.0506
 72   0     0.8849     1.0000     0.1151     0.9726     0.9197     0.0529
 73   0     0.8775     1.0000     0.1225     0.9766     0.9258     0.0508
 74   0     0.8900     1.0000     0.1100     0.9818     0.9277     0.0541
 75   0     6.2017     6.0000    -0.2017     4.0113     3.7013     0.3100
 76   0     6.1570     6.0000    -0.1570     3.9473     3.6383     0.3090
 77   0     6.2826     6.0000    -0.2826     4.0189     3.6940     0.3249
 78   0     6.1570     6.0000    -0.1570     3.9532     3.6427     0.3105
 79   0     6.2758     6.0000    -0.2758     4.0141     3.6969     0.3172
 80   0     0.8855     1.0000     0.1145     0.9784     0.9295     0.0489
 81   0     0.9024     1.0000     0.0976     0.9871     0.9335     0.0536
 82   0     0.9135     1.0000     0.0865     0.9924     0.9392     0.0532
 83   0     0.8949     1.0000     0.1051     0.9749     0.9245     0.0504
 84   0     0.8753     1.0000     0.1247     0.9796     0.9292     0.0504
 85   0     0.8906     1.0000     0.1094     0.9717     0.9181     0.0536
 86   0     0.8849     1.0000     0.1151     0.9802     0.9332     0.0470
 87   0     0.9034     1.0000     0.0966     0.9794     0.9254     0.0540
 88   0     0.8928     1.0000     0.1072     0.9742     0.9209     0.0533
 89   0     0.8813     1.0000     0.1187     0.9749     0.9249     0.0500
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.895339
                0             6               4            6                0.925336
                0             6               5            1                0.931062
                0             6               6            1                0.949041
                1             6               2            6                0.878378
                1             6               7            1                0.942480
                1             6               8            1                0.939633
                2             6               3            6                0.913837
                2             6               9            1                0.946354
                2             6              10            1                0.940601
                3             6               4            6                0.924825
                3             6              11            1                0.939685
                3             6              12            1                0.924684
                4             6              13            1                0.949314
                4             6              14            1                0.936013
               15             6              16            6                0.930057
               15             6              19            6                0.913652
               15             6              20            1                0.940589
               15             6              21            1                0.926645
               16             6              17            6                0.926558
               16             6              22            1                0.928264
               16             6              23            1                0.935001
               17             6              18            6                0.917867
               17             6              24            1                0.937379
               17             6              25            1                0.936715
               18             6              19            6                0.932154
               18             6              26            1                0.919245
               18             6              27            1                0.939868
               19             6              28            1                0.930683
               19             6              29            1                0.931896
               30             6              31            6                0.906426
               30             6              34            6                0.910192
               30             6              35            1                0.937646
               30             6              36            1                0.941469
               31             6              32            6                0.913237
               31             6              37            1                0.932205
               31             6              38            1                0.948561
               32             6              33            6                0.923913
               32             6              39            1                0.932355
               32             6              40            1                0.950242
               33             6              34            6                0.904306
               33             6              41            1                0.924641
               33             6              42            1                0.943017
               34             6              43            1                0.922884
               34             6              44            1                0.946066
               45             6              46            6                0.914720
               45             6              49            6                0.920586
               45             6              50            1                0.938837
               45             6              51            1                0.936837
               46             6              47            6                0.907813
               46             6              52            1                0.923826
               46             6              53            1                0.948524
               47             6              48            6                0.910937
               47             6              54            1                0.933805
               47             6              55            1                0.937293
               48             6              49            6                0.903575
               48             6              56            1                0.936850
               48             6              57            1                0.945917
               49             6              58            1                0.937555
               49             6              59            1                0.941267
               60             6              61            6                0.894194
               60             6              64            6                0.932069
               60             6              65            1                0.940946
               60             6              66            1                0.950119
               61             6              62            6                0.907598
               61             6              67            1                0.933538
               61             6              68            1                0.956485
               62             6              63            6                0.906769
               62             6              69            1                0.946920
               62             6              70            1                0.933762
               63             6              64            6                0.921380
               63             6              71            1                0.947206
               63             6              72            1                0.932423
               64             6              73            1                0.928382
               64             6              74            1                0.927312
               75             6              76            6                0.925852
               75             6              79            6                0.928676
               75             6              80            1                0.940444
               75             6              81            1                0.928080
               76             6              77            6                0.905403
               76             6              82            1                0.933220
               76             6              83            1                0.945573
               77             6              78            6                0.919309
               77             6              84            1                0.934237
               77             6              85            1                0.937208
               78             6              79            6                0.918839
               78             6              86            1                0.942320
               78             6              87            1                0.938440
               79             6              88            1                0.931591
               79             6              89            1                0.944686
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1820255891
        Correlation Energy:       -5.0656068870
        Total MP2 Energy:      -1176.2476324761
# -----------------------------------------------------------
$ 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) :        0.5029101002
        Electronic Contribution:
                  0    
      0       1.247488
      1      -0.688321
      2       0.020119
        Nuclear Contribution:
                  0    
      0      -1.373710
      1       0.795306
      2       0.088367
        Total Dipole moment:
                  0    
      0      -0.126222
      1       0.106985
      2       0.108487
# -----------------------------------------------------------
$ 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) :        0.5080524205
        Electronic Contribution:
                  0    
      0       1.245612
      1      -0.686605
      2       0.019923
        Nuclear Contribution:
                  0    
      0      -1.373710
      1       0.795306
      2       0.088367
        Total Dipole moment:
                  0    
      0      -0.128098
      1       0.108701
      2       0.108290
# -----------------------------------------------------------
$ 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) :        0.5133229163
        Electronic Contribution:
                  0    
      0       1.223285
      1      -0.682828
      2      -0.014165
        Nuclear Contribution:
                  0    
      0      -1.373710
      1       0.795306
      2       0.088367
        Total Dipole moment:
                  0    
      0      -0.150425
      1       0.112478
      2       0.074203
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     16.460000000000   21.380000000000   23.940000000000
               1 C     15.370000000000   22.010000000000   23.050000000000
               2 C     15.990000000000   22.420000000000   21.670000000000
               3 C     17.510000000000   22.290000000000   21.830000000000
               4 C     17.790000000000   21.740000000000   23.230000000000
               5 H     16.230000000000   20.330000000000   24.120000000000
               6 H     16.550000000000   21.850000000000   24.900000000000
               7 H     14.720000000000   22.750000000000   23.490000000000
               8 H     14.530000000000   21.370000000000   22.870000000000
               9 H     15.530000000000   23.390000000000   21.580000000000
              10 H     15.520000000000   21.860000000000   20.900000000000
              11 H     17.970000000000   23.300000000000   21.690000000000
              12 H     17.950000000000   21.640000000000   20.990000000000
              13 H     18.200000000000   22.500000000000   23.790000000000
              14 H     18.400000000000   20.870000000000   23.150000000000
              15 C     20.180000000000   18.770000000000   20.860000000000
              16 C     19.020000000000   17.870000000000   20.380000000000
              17 C     18.790000000000   16.830000000000   21.490000000000
              18 C     20.110000000000   16.880000000000   22.310000000000
              19 C     21.100000000000   17.780000000000   21.560000000000
              20 H     19.920000000000   19.500000000000   21.570000000000
              21 H     20.590000000000   19.170000000000   19.900000000000
              22 H     19.270000000000   17.470000000000   19.380000000000
              23 H     18.130000000000   18.500000000000   20.400000000000
              24 H     18.590000000000   15.840000000000   21.130000000000
              25 H     17.960000000000   17.130000000000   22.180000000000
              26 H     20.600000000000   15.840000000000   22.540000000000
              27 H     19.850000000000   17.330000000000   23.270000000000
              28 H     21.540000000000   17.200000000000   20.740000000000
              29 H     21.830000000000   18.350000000000   22.120000000000
              30 C     15.140000000000   25.790000000000   24.240000000000
              31 C     14.210000000000   26.270000000000   23.050000000000
              32 C     15.140000000000   26.600000000000   21.870000000000
              33 C     16.480000000000   25.930000000000   22.150000000000
              34 C     16.490000000000   25.430000000000   23.640000000000
              35 H     14.750000000000   25.020000000000   24.880000000000
              36 H     15.240000000000   26.660000000000   24.830000000000
              37 H     13.530000000000   27.060000000000   23.420000000000
              38 H     13.520000000000   25.470000000000   22.820000000000
              39 H     15.180000000000   27.620000000000   21.570000000000
              40 H     14.620000000000   26.020000000000   21.150000000000
              41 H     17.250000000000   26.760000000000   22.010000000000
              42 H     16.700000000000   25.210000000000   21.410000000000
              43 H     17.390000000000   25.750000000000   24.230000000000
              44 H     16.520000000000   24.330000000000   23.550000000000
              45 C     16.710000000000   22.740000000000   28.500000000000
              46 C     16.820000000000   24.260000000000   28.210000000000
              47 C     15.510000000000   24.870000000000   28.820000000000
              48 C     14.760000000000   23.790000000000   29.660000000000
              49 C     15.280000000000   22.460000000000   29.120000000000
              50 H     17.560000000000   22.390000000000   29.020000000000
              51 H     16.810000000000   22.190000000000   27.520000000000
              52 H     16.970000000000   24.490000000000   27.080000000000
              53 H     17.600000000000   24.670000000000   28.790000000000
              54 H     14.920000000000   25.370000000000   28.030000000000
              55 H     15.710000000000   25.730000000000   29.530000000000
              56 H     13.690000000000   23.850000000000   29.510000000000
              57 H     15.070000000000   23.850000000000   30.660000000000
              58 H     14.460000000000   22.250000000000   28.400000000000
              59 H     15.250000000000   21.750000000000   29.910000000000
              60 C     13.580000000000   17.270000000000   22.630000000000
              61 C     12.700000000000   18.510000000000   22.740000000000
              62 C     11.450000000000   18.360000000000   21.920000000000
              63 C     11.440000000000   16.880000000000   21.440000000000
              64 C     12.870000000000   16.240000000000   21.660000000000
              65 H     13.780000000000   16.980000000000   23.620000000000
              66 H     14.490000000000   17.590000000000   22.200000000000
              67 H     13.300000000000   19.420000000000   22.440000000000
              68 H     12.560000000000   18.770000000000   23.690000000000
              69 H     11.310000000000   19.060000000000   21.150000000000
              70 H     10.590000000000   18.560000000000   22.580000000000
              71 H     11.190000000000   16.910000000000   20.400000000000
              72 H     10.630000000000   16.240000000000   21.900000000000
              73 H     13.370000000000   16.170000000000   20.660000000000
              74 H     12.660000000000   15.290000000000   22.270000000000
              75 C     11.630000000000   22.370000000000   21.010000000000
              76 C     11.930000000000   23.840000000000   21.050000000000
              77 C     11.140000000000   24.560000000000   19.940000000000
              78 C     10.840000000000   23.380000000000   18.950000000000
              79 C     11.090000000000   22.060000000000   19.620000000000
              80 H     10.910000000000   22.140000000000   21.770000000000
              81 H     12.590000000000   21.860000000000   21.210000000000
              82 H     12.980000000000   24.110000000000   21.060000000000
              83 H     11.540000000000   24.180000000000   21.980000000000
              84 H     11.570000000000   25.440000000000   19.450000000000
              85 H     10.180000000000   25.000000000000   20.350000000000
              86 H     11.350000000000   23.500000000000   18.050000000000
              87 H      9.730000000000   23.350000000000   18.830000000000
              88 H     11.810000000000   21.500000000000   18.960000000000
              89 H     10.190000000000   21.450000000000   19.590000000000
