-------------------------------------------------------------
----------------------- !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:    -1171.2394058500
# -----------------------------------------------------------
$ 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     6.1621     6.0000    -0.1621     3.9029     3.9029    -0.0000
  1   0     6.1164     6.0000    -0.1164     3.8883     3.8883    -0.0000
  2   0     6.1514     6.0000    -0.1514     3.9086     3.9086    -0.0000
  3   0     6.1806     6.0000    -0.1806     3.9057     3.9057    -0.0000
  4   0     6.1662     6.0000    -0.1662     3.8697     3.8697    -0.0000
  5   0     0.9190     1.0000     0.0810     0.9812     0.9812    -0.0000
  6   0     0.9227     1.0000     0.0773     0.9762     0.9762    -0.0000
  7   0     0.9278     1.0000     0.0722     0.9828     0.9828    -0.0000
  8   0     0.9210     1.0000     0.0790     0.9761     0.9761    -0.0000
  9   0     0.9159     1.0000     0.0841     0.9730     0.9730     0.0000
 10   0     0.9234     1.0000     0.0766     0.9780     0.9780     0.0000
 11   0     0.9179     1.0000     0.0821     0.9780     0.9780    -0.0000
 12   0     0.9236     1.0000     0.0764     0.9722     0.9722    -0.0000
 13   0     0.9410     1.0000     0.0590     0.9805     0.9805     0.0000
 14   0     0.9111     1.0000     0.0889     0.9747     0.9747    -0.0000
 15   0     6.1605     6.0000    -0.1605     3.8846     3.8846    -0.0000
 16   0     6.1850     6.0000    -0.1850     3.9064     3.9064    -0.0000
 17   0     6.1656     6.0000    -0.1656     3.8794     3.8794    -0.0000
 18   0     6.1810     6.0000    -0.1810     3.9051     3.9051    -0.0000
 19   0     6.1353     6.0000    -0.1353     3.9000     3.9000     0.0000
 20   0     0.9125     1.0000     0.0875     0.9752     0.9752    -0.0000
 21   0     0.9260     1.0000     0.0740     0.9750     0.9750     0.0000
 22   0     0.9115     1.0000     0.0885     0.9742     0.9742    -0.0000
 23   0     0.9106     1.0000     0.0894     0.9729     0.9729     0.0000
 24   0     0.9074     1.0000     0.0926     0.9761     0.9761     0.0000
 25   0     0.9337     1.0000     0.0663     0.9818     0.9818     0.0000
 26   0     0.9065     1.0000     0.0935     0.9767     0.9767     0.0000
 27   0     0.9190     1.0000     0.0810     0.9733     0.9733    -0.0000
 28   0     0.9168     1.0000     0.0832     0.9767     0.9767     0.0000
 29   0     0.9281     1.0000     0.0719     0.9786     0.9786     0.0000
 30   0     6.1257     6.0000    -0.1257     3.8659     3.8659     0.0000
 31   0     6.1892     6.0000    -0.1892     3.9096     3.9096    -0.0000
 32   0     6.1688     6.0000    -0.1688     3.8906     3.8906    -0.0000
 33   0     6.1565     6.0000    -0.1565     3.9105     3.9105    -0.0000
 34   0     6.1847     6.0000    -0.1847     3.9088     3.9088     0.0000
 35   0     0.9162     1.0000     0.0838     0.9743     0.9743     0.0000
 36   0     0.9220     1.0000     0.0780     0.9808     0.9808    -0.0000
 37   0     0.9124     1.0000     0.0876     0.9721     0.9721    -0.0000
 38   0     0.9274     1.0000     0.0726     0.9775     0.9775     0.0000
 39   0     0.9194     1.0000     0.0806     0.9752     0.9752     0.0000
 40   0     0.9041     1.0000     0.0959     0.9825     0.9825    -0.0000
 41   0     0.9155     1.0000     0.0845     0.9740     0.9740    -0.0000
 42   0     0.9134     1.0000     0.0866     0.9697     0.9697    -0.0000
 43   0     0.9062     1.0000     0.0938     0.9694     0.9694    -0.0000
 44   0     0.9384     1.0000     0.0616     0.9810     0.9810    -0.0000
 45   0     6.1879     6.0000    -0.1879     3.8861     3.8861     0.0000
 46   0     6.1889     6.0000    -0.1889     3.9237     3.9237    -0.0000
 47   0     6.1768     6.0000    -0.1768     3.8755     3.8755     0.0000
 48   0     6.1266     6.0000    -0.1266     3.8924     3.8924    -0.0000
 49   0     6.1320     6.0000    -0.1320     3.9289     3.9289    -0.0000
 50   0     0.9099     1.0000     0.0901     0.9734     0.9734     0.0000
 51   0     0.9335     1.0000     0.0665     0.9779     0.9779     0.0000
 52   0     0.9107     1.0000     0.0893     0.9741     0.9741     0.0000
 53   0     0.9109     1.0000     0.0891     0.9730     0.9730     0.0000
 54   0     0.9233     1.0000     0.0767     0.9754     0.9754    -0.0000
 55   0     0.9255     1.0000     0.0745     0.9800     0.9800    -0.0000
 56   0     0.8991     1.0000     0.1009     0.9789     0.9789     0.0000
 57   0     0.9490     1.0000     0.0510     0.9921     0.9921    -0.0000
 58   0     0.9175     1.0000     0.0825     0.9770     0.9770    -0.0000
 59   0     0.9106     1.0000     0.0894     0.9784     0.9784    -0.0000
 60   0     6.2073     6.0000    -0.2073     3.8773     3.8773     0.0000
 61   0     6.1784     6.0000    -0.1784     3.8692     3.8692    -0.0000
 62   0     6.1709     6.0000    -0.1709     3.8770     3.8770     0.0000
 63   0     6.1674     6.0000    -0.1674     3.8915     3.8915     0.0000
 64   0     6.1615     6.0000    -0.1615     3.8789     3.8789     0.0000
 65   0     0.9184     1.0000     0.0816     0.9700     0.9700     0.0000
 66   0     0.9057     1.0000     0.0943     0.9727     0.9727     0.0000
 67   0     0.9121     1.0000     0.0879     0.9745     0.9745    -0.0000
 68   0     0.9098     1.0000     0.0902     0.9744     0.9744    -0.0000
 69   0     0.9101     1.0000     0.0899     0.9794     0.9794     0.0000
 70   0     0.9094     1.0000     0.0906     0.9719     0.9719     0.0000
 71   0     0.9120     1.0000     0.0880     0.9751     0.9751     0.0000
 72   0     0.9130     1.0000     0.0870     0.9745     0.9745     0.0000
 73   0     0.9139     1.0000     0.0861     0.9738     0.9738     0.0000
 74   0     0.9084     1.0000     0.0916     0.9738     0.9738    -0.0000
 75   0     6.1736     6.0000    -0.1736     3.8864     3.8864    -0.0000
 76   0     6.1464     6.0000    -0.1464     3.9039     3.9039     0.0000
 77   0     6.1395     6.0000    -0.1395     3.9160     3.9160    -0.0000
 78   0     6.1826     6.0000    -0.1826     3.8656     3.8656    -0.0000
 79   0     6.1938     6.0000    -0.1938     3.8755     3.8755     0.0000
 80   0     0.9124     1.0000     0.0876     0.9783     0.9783    -0.0000
 81   0     0.9171     1.0000     0.0829     0.9773     0.9773     0.0000
 82   0     0.9125     1.0000     0.0875     0.9790     0.9790    -0.0000
 83   0     0.9156     1.0000     0.0844     0.9764     0.9764    -0.0000
 84   0     0.9103     1.0000     0.0897     0.9743     0.9743     0.0000
 85   0     0.9266     1.0000     0.0734     0.9838     0.9838    -0.0000
 86   0     0.9263     1.0000     0.0737     0.9766     0.9766     0.0000
 87   0     0.9090     1.0000     0.0910     0.9758     0.9758    -0.0000
 88   0     0.9236     1.0000     0.0764     0.9732     0.9732     0.0000
 89   0     0.9105     1.0000     0.0895     0.9773     0.9773     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                0.971722
                0             6               4            6                0.959835
                0             6               5            1                0.994175
                0             6               6            1                0.997538
                1             6               2            6                0.975556
                1             6               7            1                0.995761
                1             6               8            1                0.990762
                2             6               3            6                0.977375
                2             6               9            1                0.989629
                2             6              10            1                0.993676
                3             6               4            6                0.963609
                3             6              11            1                0.997684
                3             6              12            1                0.987350
                4             6              13            1                1.003136
                4             6              14            1                0.988276
               15             6              16            6                0.975726
               15             6              19            6                0.970827
               15             6              20            1                0.987702
               15             6              21            1                0.994891
               16             6              17            6                0.962198
               16             6              22            1                0.991602
               16             6              23            1                0.993187
               17             6              18            6                0.973607
               17             6              24            1                0.987113
               17             6              25            1                0.997949
               18             6              19            6                0.975256
               18             6              26            1                0.986898
               18             6              27            1                0.996197
               19             6              28            1                0.992345
               19             6              29            1                1.000308
               30             6              31            6                0.969975
               30             6              34            6                0.970320
               30             6              35            1                0.989154
               30             6              36            1                0.985190
               31             6              32            6                0.972154
               31             6              37            1                0.991392
               31             6              38            1                0.994540
               32             6              33            6                0.968144
               32             6              39            1                0.994394
               32             6              40            1                0.988527
               33             6              34            6                0.986201
               33             6              41            1                0.989983
               33             6              42            1                0.989332
               34             6              43            1                0.979739
               34             6              44            1                0.997263
               45             6              46            6                0.976087
               45             6              49            6                0.966633
               45             6              50            1                0.985060
               45             6              51            1                0.998356
               46             6              47            6                0.975824
               46             6              52            1                0.992331
               46             6              53            1                0.992878
               47             6              48            6                0.953720
               47             6              54            1                0.991153
               47             6              55            1                0.996819
               48             6              49            6                0.988029
               48             6              56            1                0.983637
               48             6              57            1                1.002242
               49             6              58            1                0.997071
               49             6              59            1                0.993509
               60             6              61            6                0.964458
               60             6              64            6                0.966938
               60             6              65            1                0.992993
               60             6              66            1                0.984380
               61             6              62            6                0.958190
               61             6              67            1                0.984816
               61             6              68            1                0.996467
               62             6              63            6                0.968123
               62             6              69            1                0.989194
               62             6              70            1                0.993211
               63             6              64            6                0.969955
               63             6              71            1                0.987969
               63             6              72            1                0.992042
               64             6              73            1                0.987653
               64             6              74            1                0.988992
               75             6              76            6                0.974243
               75             6              79            6                0.962816
               75             6              80            1                0.991072
               75             6              81            1                0.992566
               76             6              77            6                0.983023
               76             6              82            1                0.987723
               76             6              83            1                0.988094
               77             6              78            6                0.971682
               77             6              84            1                0.987745
               77             6              85            1                0.989053
               78             6              79            6                0.956174
               78             6              86            1                0.997491
               78             6              87            1                0.987528
               79             6              88            1                0.996472
               79             6              89            1                0.993488
# -----------------------------------------------------------
$ 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     6.1703     6.0000    -0.1703     4.0114     3.6950     0.3164
  1   0     6.1238     6.0000    -0.1238     3.9919     3.6826     0.3093
  2   0     6.1596     6.0000    -0.1596     4.0158     3.7007     0.3151
  3   0     6.1880     6.0000    -0.1880     4.0133     3.6973     0.3160
  4   0     6.1737     6.0000    -0.1737     3.9793     3.6602     0.3191
  5   0     0.9151     1.0000     0.0849     0.9904     0.9416     0.0488
  6   0     0.9189     1.0000     0.0811     0.9858     0.9326     0.0532
  7   0     0.9239     1.0000     0.0761     0.9924     0.9422     0.0502
  8   0     0.9171     1.0000     0.0829     0.9856     0.9352     0.0504
  9   0     0.9122     1.0000     0.0878     0.9825     0.9295     0.0530
 10   0     0.9194     1.0000     0.0806     0.9873     0.9344     0.0529
 11   0     0.9140     1.0000     0.0860     0.9871     0.9376     0.0495
 12   0     0.9198     1.0000     0.0802     0.9821     0.9259     0.0562
 13   0     0.9370     1.0000     0.0630     0.9907     0.9343     0.0564
 14   0     0.9073     1.0000     0.0927     0.9839     0.9316     0.0523
 15   0     6.1684     6.0000    -0.1684     3.9944     3.6721     0.3223
 16   0     6.1923     6.0000    -0.1923     4.0166     3.6912     0.3254
 17   0     6.1730     6.0000    -0.1730     3.9904     3.6640     0.3264
 18   0     6.1890     6.0000    -0.1890     4.0153     3.6940     0.3213
 19   0     6.1431     6.0000    -0.1431     4.0068     3.6914     0.3154
 20   0     0.9087     1.0000     0.0913     0.9846     0.9318     0.0528
 21   0     0.9222     1.0000     0.0778     0.9848     0.9326     0.0522
 22   0     0.9078     1.0000     0.0922     0.9834     0.9269     0.0565
 23   0     0.9069     1.0000     0.0931     0.9822     0.9308     0.0514
 24   0     0.9038     1.0000     0.0962     0.9856     0.9323     0.0533
 25   0     0.9297     1.0000     0.0703     0.9921     0.9373     0.0548
 26   0     0.9025     1.0000     0.0975     0.9855     0.9355     0.0500
 27   0     0.9150     1.0000     0.0850     0.9824     0.9293     0.0531
 28   0     0.9130     1.0000     0.0870     0.9860     0.9355     0.0505
 29   0     0.9243     1.0000     0.0757     0.9885     0.9383     0.0502
 30   0     6.1330     6.0000    -0.1330     3.9730     3.6578     0.3152
 31   0     6.1978     6.0000    -0.1978     4.0215     3.6952     0.3263
 32   0     6.1759     6.0000    -0.1759     4.0002     3.6786     0.3216
 33   0     6.1647     6.0000    -0.1647     4.0193     3.6988     0.3205
 34   0     6.1932     6.0000    -0.1932     4.0210     3.6917     0.3293
 35   0     0.9126     1.0000     0.0874     0.9844     0.9325     0.0519
 36   0     0.9178     1.0000     0.0822     0.9901     0.9383     0.0518
 37   0     0.9085     1.0000     0.0915     0.9814     0.9290     0.0524
 38   0     0.9235     1.0000     0.0765     0.9873     0.9336     0.0537
 39   0     0.9154     1.0000     0.0846     0.9847     0.9320     0.0527
 40   0     0.9003     1.0000     0.0997     0.9913     0.9422     0.0491
 41   0     0.9114     1.0000     0.0886     0.9832     0.9305     0.0527
 42   0     0.9096     1.0000     0.0904     0.9791     0.9268     0.0523
 43   0     0.9023     1.0000     0.0977     0.9784     0.9241     0.0543
 44   0     0.9339     1.0000     0.0661     0.9903     0.9327     0.0576
 45   0     6.1952     6.0000    -0.1952     3.9979     3.6685     0.3294
 46   0     6.1972     6.0000    -0.1972     4.0353     3.7071     0.3282
 47   0     6.1843     6.0000    -0.1843     3.9874     3.6612     0.3262
 48   0     6.1344     6.0000    -0.1344     4.0006     3.6760     0.3246
 49   0     6.1401     6.0000    -0.1401     4.0355     3.7204     0.3151
 50   0     0.9059     1.0000     0.0941     0.9825     0.9298     0.0527
 51   0     0.9295     1.0000     0.0705     0.9880     0.9312     0.0568
 52   0     0.9068     1.0000     0.0932     0.9831     0.9294     0.0537
 53   0     0.9071     1.0000     0.0929     0.9822     0.9289     0.0533
 54   0     0.9193     1.0000     0.0807     0.9852     0.9315     0.0537
 55   0     0.9213     1.0000     0.0787     0.9895     0.9374     0.0521
 56   0     0.8953     1.0000     0.1047     0.9876     0.9381     0.0495
 57   0     0.9450     1.0000     0.0550     1.0025     0.9472     0.0553
 58   0     0.9136     1.0000     0.0864     0.9863     0.9360     0.0503
 59   0     0.9069     1.0000     0.0931     0.9877     0.9371     0.0506
 60   0     6.2150     6.0000    -0.2150     3.9917     3.6571     0.3346
 61   0     6.1857     6.0000    -0.1857     3.9816     3.6506     0.3310
 62   0     6.1784     6.0000    -0.1784     3.9883     3.6613     0.3270
 63   0     6.1752     6.0000    -0.1752     4.0021     3.6790     0.3231
 64   0     6.1692     6.0000    -0.1692     3.9901     3.6625     0.3276
 65   0     0.9146     1.0000     0.0854     0.9797     0.9236     0.0561
 66   0     0.9020     1.0000     0.0980     0.9819     0.9283     0.0536
 67   0     0.9086     1.0000     0.0914     0.9842     0.9287     0.0555
 68   0     0.9059     1.0000     0.0941     0.9835     0.9323     0.0512
 69   0     0.9067     1.0000     0.0933     0.9890     0.9377     0.0513
 70   0     0.9054     1.0000     0.0946     0.9810     0.9287     0.0523
 71   0     0.9081     1.0000     0.0919     0.9844     0.9326     0.0518
 72   0     0.9091     1.0000     0.0909     0.9839     0.9338     0.0501
 73   0     0.9103     1.0000     0.0897     0.9835     0.9307     0.0528
 74   0     0.9045     1.0000     0.0955     0.9830     0.9321     0.0509
 75   0     6.1809     6.0000    -0.1809     3.9965     3.6706     0.3259
 76   0     6.1545     6.0000    -0.1545     4.0129     3.6902     0.3227
 77   0     6.1466     6.0000    -0.1466     4.0216     3.7075     0.3141
 78   0     6.1901     6.0000    -0.1901     3.9784     3.6486     0.3298
 79   0     6.2015     6.0000    -0.2015     3.9880     3.6599     0.3281
 80   0     0.9087     1.0000     0.0913     0.9877     0.9368     0.0509
 81   0     0.9134     1.0000     0.0866     0.9869     0.9357     0.0512
 82   0     0.9085     1.0000     0.0915     0.9881     0.9372     0.0509
 83   0     0.9118     1.0000     0.0882     0.9859     0.9317     0.0542
 84   0     0.9064     1.0000     0.0936     0.9834     0.9324     0.0510
 85   0     0.9229     1.0000     0.0771     0.9936     0.9431     0.0505
 86   0     0.9225     1.0000     0.0775     0.9866     0.9305     0.0561
 87   0     0.9053     1.0000     0.0947     0.9852     0.9336     0.0516
 88   0     0.9199     1.0000     0.0801     0.9829     0.9289     0.0540
 89   0     0.9068     1.0000     0.0932     0.9866     0.9369     0.0497
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.907732
                0             6               4            6                0.900138
                0             6               5            1                0.955868
                0             6               6            1                0.955124
                1             6               2            6                0.915704
                1             6               7            1                0.956299
                1             6               8            1                0.951261
                2             6               3            6                0.917104
                2             6               9            1                0.947632
                2             6              10            1                0.951453
                3             6               4            6                0.903467
                3             6              11            1                0.958447
                3             6              12            1                0.942495
                4             6              13            1                0.957971
                4             6              14            1                0.946463
               15             6              16            6                0.913791
               15             6              19            6                0.906370
               15             6              20            1                0.945921
               15             6              21            1                0.953572
               16             6              17            6                0.899350
               16             6              22            1                0.945890
               16             6              23            1                0.952432
               17             6              18            6                0.910824
               17             6              24            1                0.944370
               17             6              25            1                0.954319
               18             6              19            6                0.912873
               18             6              26            1                0.947087
               18             6              27            1                0.953254
               19             6              28            1                0.952526
               19             6              29            1                0.961142
               30             6              31            6                0.907871
               30             6              34            6                0.909095
               30             6              35            1                0.948555
               30             6              36            1                0.944283
               31             6              32            6                0.907797
               31             6              37            1                0.949581
               31             6              38            1                0.951875
               32             6              33            6                0.905201
               32             6              39            1                0.952130
               32             6              40            1                0.949672
               33             6              34            6                0.924779
               33             6              41            1                0.947848
               33             6              42            1                0.947659
               34             6              43            1                0.936150
               34             6              44            1                0.950161
               45             6              46            6                0.910890
               45             6              49            6                0.905450
               45             6              50            1                0.942647
               45             6              51            1                0.952614
               46             6              47            6                0.914236
               46             6              52            1                0.948871
               46             6              53            1                0.950063
               47             6              48            6                0.887985
               47             6              54            1                0.948422
               47             6              55            1                0.955228
               48             6              49            6                0.924037
               48             6              56            1                0.944412
               48             6              57            1                0.958553
               49             6              58            1                0.957235
               49             6              59            1                0.953528
               60             6              61            6                0.900946
               60             6              64            6                0.901448
               60             6              65            1                0.947811
               60             6              66            1                0.941556
               61             6              62            6                0.891657
               61             6              67            1                0.940592
               61             6              68            1                0.955421
               62             6              63            6                0.904891
               62             6              69            1                0.948870
               62             6              70            1                0.951173
               63             6              64            6                0.904853
               63             6              71            1                0.946819
               63             6              72            1                0.952486
               64             6              73            1                0.945819
               64             6              74            1                0.948624
               75             6              76            6                0.908329
               75             6              79            6                0.896713
               75             6              80            1                0.950845
               75             6              81            1                0.952262
               76             6              77            6                0.922619
               76             6              82            1                0.947513
               76             6              83            1                0.944726
               77             6              78            6                0.907647
               77             6              84            1                0.947232
               77             6              85            1                0.950042
               78             6              79            6                0.891729
               78             6              86            1                0.952546
               78             6              87            1                0.946623
               79             6              88            1                0.953285
               79             6              89            1                0.954436
# -----------------------------------------------------------
$ 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     6.2238     6.0000    -0.2238     3.9907     3.6782     0.3125
  1   0     6.1815     6.0000    -0.1815     3.9693     3.6636     0.3057
  2   0     6.2102     6.0000    -0.2102     3.9979     3.6870     0.3109
  3   0     6.2365     6.0000    -0.2365     3.9954     3.6838     0.3116
  4   0     6.2278     6.0000    -0.2278     3.9680     3.6531     0.3149
  5   0     0.8885     1.0000     0.1115     0.9813     0.9335     0.0478
  6   0     0.8908     1.0000     0.1092     0.9779     0.9259     0.0520
  7   0     0.8968     1.0000     0.1032     0.9848     0.9357     0.0491
  8   0     0.8929     1.0000     0.1071     0.9800     0.9306     0.0494
  9   0     0.8885     1.0000     0.1115     0.9782     0.9263     0.0519
 10   0     0.8934     1.0000     0.1066     0.9786     0.9268     0.0518
 11   0     0.8870     1.0000     0.1130     0.9795     0.9312     0.0483
 12   0     0.8951     1.0000     0.1049     0.9746     0.9194     0.0552
 13   0     0.9049     1.0000     0.0951     0.9818     0.9268     0.0550
 14   0     0.8826     1.0000     0.1174     0.9763     0.9251     0.0512
 15   0     6.2179     6.0000    -0.2179     3.9797     3.6615     0.3182
 16   0     6.2344     6.0000    -0.2344     4.0072     3.6863     0.3209
 17   0     6.2330     6.0000    -0.2330     3.9966     3.6746     0.3220
 18   0     6.2330     6.0000    -0.2330     4.0021     3.6851     0.3170
 19   0     6.1979     6.0000    -0.1979     3.9880     3.6763     0.3117
 20   0     0.8850     1.0000     0.1150     0.9755     0.9238     0.0517
 21   0     0.8957     1.0000     0.1043     0.9749     0.9237     0.0512
 22   0     0.8838     1.0000     0.1162     0.9745     0.9191     0.0554
 23   0     0.8843     1.0000     0.1157     0.9742     0.9237     0.0505
 24   0     0.8783     1.0000     0.1217     0.9762     0.9241     0.0521
 25   0     0.8990     1.0000     0.1010     0.9809     0.9275     0.0534
 26   0     0.8804     1.0000     0.1196     0.9784     0.9294     0.0490
 27   0     0.8911     1.0000     0.1089     0.9747     0.9226     0.0521
 28   0     0.8879     1.0000     0.1121     0.9779     0.9285     0.0494
 29   0     0.8987     1.0000     0.1013     0.9795     0.9304     0.0491
 30   0     6.1852     6.0000    -0.1852     3.9609     3.6501     0.3108
 31   0     6.2441     6.0000    -0.2441     4.0009     3.6789     0.3220
 32   0     6.2248     6.0000    -0.2248     3.9823     3.6646     0.3177
 33   0     6.2145     6.0000    -0.2145     4.0037     3.6876     0.3161
 34   0     6.2396     6.0000    -0.2396     3.9988     3.6743     0.3245
 35   0     0.8896     1.0000     0.1104     0.9814     0.9307     0.0507
 36   0     0.8941     1.0000     0.1059     0.9822     0.9315     0.0507
 37   0     0.8864     1.0000     0.1136     0.9740     0.9225     0.0515
 38   0     0.8954     1.0000     0.1046     0.9804     0.9279     0.0525
 39   0     0.8911     1.0000     0.1089     0.9743     0.9226     0.0517
 40   0     0.8766     1.0000     0.1234     0.9846     0.9366     0.0480
 41   0     0.8887     1.0000     0.1113     0.9754     0.9237     0.0517
 42   0     0.8872     1.0000     0.1128     0.9765     0.9253     0.0512
 43   0     0.8812     1.0000     0.1188     0.9725     0.9192     0.0533
 44   0     0.9000     1.0000     0.1000     0.9808     0.9248     0.0560
 45   0     6.2402     6.0000    -0.2402     3.9919     3.6673     0.3246
 46   0     6.2377     6.0000    -0.2377     4.0152     3.6916     0.3236
 47   0     6.2384     6.0000    -0.2384     3.9786     3.6568     0.3218
 48   0     6.1908     6.0000    -0.1908     3.9859     3.6654     0.3205
 49   0     6.1967     6.0000    -0.1967     4.0199     3.7088     0.3111
 50   0     0.8823     1.0000     0.1177     0.9758     0.9242     0.0516
 51   0     0.9044     1.0000     0.0956     0.9804     0.9249     0.0555
 52   0     0.8820     1.0000     0.1180     0.9745     0.9219     0.0526
 53   0     0.8842     1.0000     0.1158     0.9749     0.9226     0.0523
 54   0     0.8939     1.0000     0.1061     0.9770     0.9244     0.0526
 55   0     0.8926     1.0000     0.1074     0.9814     0.9306     0.0508
 56   0     0.8743     1.0000     0.1257     0.9818     0.9333     0.0485
 57   0     0.9147     1.0000     0.0853     0.9930     0.9390     0.0540
 58   0     0.8901     1.0000     0.1099     0.9785     0.9292     0.0493
 59   0     0.8805     1.0000     0.1195     0.9802     0.9308     0.0494
 60   0     6.2551     6.0000    -0.2551     3.9782     3.6483     0.3299
 61   0     6.2316     6.0000    -0.2316     3.9685     3.6417     0.3268
 62   0     6.2301     6.0000    -0.2301     3.9783     3.6554     0.3229
 63   0     6.2243     6.0000    -0.2243     3.9885     3.6695     0.3190
 64   0     6.2171     6.0000    -0.2171     3.9708     3.6471     0.3237
 65   0     0.8905     1.0000     0.1095     0.9715     0.9164     0.0551
 66   0     0.8791     1.0000     0.1209     0.9740     0.9214     0.0526
 67   0     0.8858     1.0000     0.1142     0.9775     0.9231     0.0544
 68   0     0.8819     1.0000     0.1181     0.9744     0.9243     0.0501
 69   0     0.8813     1.0000     0.1187     0.9816     0.9314     0.0502
 70   0     0.8825     1.0000     0.1175     0.9731     0.9219     0.0512
 71   0     0.8842     1.0000     0.1158     0.9775     0.9267     0.0508
 72   0     0.8863     1.0000     0.1137     0.9759     0.9268     0.0491
 73   0     0.8859     1.0000     0.1141     0.9772     0.9255     0.0517
 74   0     0.8823     1.0000     0.1177     0.9752     0.9253     0.0499
 75   0     6.2291     6.0000    -0.2291     3.9801     3.6580     0.3221
 76   0     6.2026     6.0000    -0.2026     4.0031     3.6846     0.3185
 77   0     6.2011     6.0000    -0.2011     4.0114     3.7013     0.3101
 78   0     6.2370     6.0000    -0.2370     3.9664     3.6409     0.3255
 79   0     6.2444     6.0000    -0.2444     3.9699     3.6460     0.3239
 80   0     0.8857     1.0000     0.1143     0.9794     0.9295     0.0499
 81   0     0.8897     1.0000     0.1103     0.9782     0.9280     0.0502
 82   0     0.8860     1.0000     0.1140     0.9801     0.9302     0.0499
 83   0     0.8893     1.0000     0.1107     0.9784     0.9252     0.0532
 84   0     0.8849     1.0000     0.1151     0.9760     0.9259     0.0501
 85   0     0.8950     1.0000     0.1050     0.9855     0.9362     0.0493
 86   0     0.8957     1.0000     0.1043     0.9776     0.9228     0.0548
 87   0     0.8820     1.0000     0.1180     0.9783     0.9278     0.0505
 88   0     0.8945     1.0000     0.1055     0.9742     0.9212     0.0530
 89   0     0.8826     1.0000     0.1174     0.9785     0.9298     0.0487
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.908970
                0             6               4            6                0.911234
                0             6               5            1                0.944172
                0             6               6            1                0.942184
                1             6               2            6                0.924528
                1             6               7            1                0.945668
                1             6               8            1                0.939618
                2             6               3            6                0.926143
                2             6               9            1                0.934606
                2             6              10            1                0.937498
                3             6               4            6                0.914178
                3             6              11            1                0.947519
                3             6              12            1                0.925845
                4             6              13            1                0.943680
                4             6              14            1                0.932829
               15             6              16            6                0.925162
               15             6              19            6                0.912752
               15             6              20            1                0.930111
               15             6              21            1                0.940743
               16             6              17            6                0.916783
               16             6              22            1                0.928098
               16             6              23            1                0.938754
               17             6              18            6                0.921115
               17             6              24            1                0.930954
               17             6              25            1                0.941122
               18             6              19            6                0.920065
               18             6              26            1                0.935052
               18             6              27            1                0.940665
               19             6              28            1                0.939896
               19             6              29            1                0.947611
               30             6              31            6                0.916352
               30             6              34            6                0.918541
               30             6              35            1                0.936426
               30             6              36            1                0.932871
               31             6              32            6                0.914327
               31             6              37            1                0.935375
               31             6              38            1                0.938771
               32             6              33            6                0.914611
               32             6              39            1                0.936828
               32             6              40            1                0.938222
               33             6              34            6                0.934479
               33             6              41            1                0.931905
               33             6              42            1                0.936829
               34             6              43            1                0.921987
               34             6              44            1                0.932990
               45             6              46            6                0.918900
               45             6              49            6                0.918678
               45             6              50            1                0.930297
               45             6              51            1                0.936601
               46             6              47            6                0.925511
               46             6              52            1                0.932937
               46             6              53            1                0.935649
               47             6              48            6                0.897760
               47             6              54            1                0.933069
               47             6              55            1                0.942369
               48             6              49            6                0.929877
               48             6              56            1                0.933937
               48             6              57            1                0.941411
               49             6              58            1                0.943322
               49             6              59            1                0.939608
               60             6              61            6                0.911933
               60             6              64            6                0.909644
               60             6              65            1                0.934737
               60             6              66            1                0.928136
               61             6              62            6                0.899426
               61             6              67            1                0.926802
               61             6              68            1                0.944252
               62             6              63            6                0.914402
               62             6              69            1                0.938731
               62             6              70            1                0.938518
               63             6              64            6                0.909927
               63             6              71            1                0.935050
               63             6              72            1                0.941412
               64             6              73            1                0.934217
               64             6              74            1                0.936637
               75             6              76            6                0.918421
               75             6              79            6                0.900384
               75             6              80            1                0.939368
               75             6              81            1                0.939975
               76             6              77            6                0.935476
               76             6              82            1                0.935467
               76             6              83            1                0.929885
               77             6              78            6                0.915794
               77             6              84            1                0.934179
               77             6              85            1                0.938294
               78             6              79            6                0.902223
               78             6              86            1                0.937976
               78             6              87            1                0.935740
               79             6              88            1                0.940103
               79             6              89            1                0.942788
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2394058500
        Correlation Energy:       -5.0589234391
        Total MP2 Energy:      -1176.2983292891
# -----------------------------------------------------------
$ 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) :        0.1224045308
        Electronic Contribution:
                  0    
      0       0.270899
      1      -0.179508
      2       0.059637
        Nuclear Contribution:
                  0    
      0      -0.281169
      1       0.208868
      2      -0.096401
        Total Dipole moment:
                  0    
      0      -0.010270
      1       0.029360
      2      -0.036764
# -----------------------------------------------------------
$ 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) :        0.1233096777
        Electronic Contribution:
                  0    
      0       0.269366
      1      -0.179014
      2       0.060029
        Nuclear Contribution:
                  0    
      0      -0.281169
      1       0.208868
      2      -0.096401
        Total Dipole moment:
                  0    
      0      -0.011803
      1       0.029854
      2      -0.036372
# -----------------------------------------------------------
$ 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) :        0.1259652852
        Electronic Contribution:
                  0    
      0       0.254992
      1      -0.180959
      2       0.064908
        Nuclear Contribution:
                  0    
      0      -0.281169
      1       0.208868
      2      -0.096401
        Total Dipole moment:
                  0    
      0      -0.026176
      1       0.027910
      2      -0.031493
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     19.230000000000   21.960000000000   21.310000000000
               1 C     19.780000000000   20.690000000000   22.010000000000
               2 C     21.080000000000   20.310000000000   21.390000000000
               3 C     21.550000000000   21.500000000000   20.590000000000
               4 C     20.390000000000   22.450000000000   20.490000000000
               5 H     18.870000000000   22.680000000000   21.970000000000
               6 H     18.330000000000   21.690000000000   20.720000000000
               7 H     19.050000000000   19.960000000000   21.800000000000
               8 H     19.940000000000   20.900000000000   23.050000000000
               9 H     20.990000000000   19.380000000000   20.780000000000
              10 H     21.770000000000   20.090000000000   22.230000000000
              11 H     21.890000000000   21.250000000000   19.630000000000
              12 H     22.460000000000   22.020000000000   21.080000000000
              13 H     20.070000000000   22.480000000000   19.410000000000
              14 H     20.630000000000   23.510000000000   20.670000000000
              15 C     13.350000000000   23.040000000000   18.820000000000
              16 C     14.860000000000   22.910000000000   18.640000000000
              17 C     15.040000000000   21.470000000000   18.060000000000
              18 C     13.710000000000   20.940000000000   17.500000000000
              19 C     12.670000000000   22.010000000000   17.850000000000
              20 H     12.920000000000   24.060000000000   18.720000000000
              21 H     13.070000000000   22.760000000000   19.830000000000
              22 H     15.310000000000   23.180000000000   19.680000000000
              23 H     15.280000000000   23.690000000000   18.010000000000
              24 H     15.500000000000   20.810000000000   18.820000000000
              25 H     15.760000000000   21.420000000000   17.220000000000
              26 H     13.430000000000   19.990000000000   17.930000000000
              27 H     13.760000000000   20.930000000000   16.380000000000
              28 H     11.750000000000   21.660000000000   18.280000000000
              29 H     12.410000000000   22.480000000000   16.950000000000
              30 C     16.790000000000   18.070000000000   18.680000000000
              31 C     18.070000000000   17.260000000000   18.620000000000
              32 C     18.180000000000   16.750000000000   17.140000000000
              33 C     16.810000000000   17.050000000000   16.480000000000
              34 C     15.900000000000   17.610000000000   17.540000000000
              35 H     17.100000000000   19.090000000000   18.540000000000
              36 H     16.330000000000   17.820000000000   19.640000000000
              37 H     18.050000000000   16.450000000000   19.380000000000
              38 H     18.920000000000   17.910000000000   18.900000000000
              39 H     18.300000000000   15.660000000000   17.200000000000
              40 H     19.020000000000   17.060000000000   16.580000000000
              41 H     16.340000000000   16.110000000000   16.120000000000
              42 H     16.920000000000   17.750000000000   15.640000000000
              43 H     15.040000000000   16.930000000000   17.880000000000
              44 H     15.380000000000   18.550000000000   17.090000000000
              45 C     18.960000000000   20.450000000000   16.000000000000
              46 C     19.890000000000   19.760000000000   14.940000000000
              47 C     20.340000000000   20.870000000000   13.990000000000
              48 C     20.050000000000   22.250000000000   14.680000000000
              49 C     18.960000000000   21.950000000000   15.750000000000
              50 H     19.230000000000   20.090000000000   17.010000000000
              51 H     17.900000000000   20.080000000000   15.810000000000
              52 H     19.320000000000   18.960000000000   14.400000000000
              53 H     20.780000000000   19.250000000000   15.390000000000
              54 H     19.800000000000   20.890000000000   13.020000000000
              55 H     21.390000000000   20.760000000000   13.750000000000
              56 H     19.810000000000   23.020000000000   13.970000000000
              57 H     21.020000000000   22.380000000000   15.200000000000
              58 H     17.990000000000   22.220000000000   15.400000000000
              59 H     19.170000000000   22.550000000000   16.610000000000
              60 C     21.330000000000   21.900000000000    9.890000000000
              61 C     21.610000000000   23.170000000000   10.750000000000
              62 C     22.880000000000   22.850000000000   11.700000000000
              63 C     23.380000000000   21.420000000000   11.350000000000
              64 C     22.270000000000   20.740000000000   10.440000000000
              65 H     21.610000000000   22.100000000000    8.790000000000
              66 H     20.260000000000   21.560000000000    9.820000000000
              67 H     20.650000000000   23.530000000000   11.260000000000
              68 H     21.840000000000   23.950000000000   10.040000000000
              69 H     22.680000000000   22.940000000000   12.750000000000
              70 H     23.620000000000   23.640000000000   11.470000000000
              71 H     23.600000000000   20.840000000000   12.260000000000
              72 H     24.280000000000   21.530000000000   10.790000000000
              73 H     21.700000000000   20.040000000000   11.070000000000
              74 H     22.700000000000   20.170000000000    9.620000000000
              75 C     24.260000000000   26.430000000000   16.970000000000
              76 C     24.340000000000   25.000000000000   16.260000000000
              77 C     23.810000000000   23.960000000000   17.220000000000
              78 C     22.810000000000   24.770000000000   18.110000000000
              79 C     23.230000000000   26.280000000000   18.170000000000
              80 H     23.900000000000   27.260000000000   16.380000000000
              81 H     25.210000000000   26.700000000000   17.390000000000
              82 H     25.360000000000   24.760000000000   15.970000000000
              83 H     23.670000000000   25.090000000000   15.350000000000
              84 H     24.570000000000   23.490000000000   17.860000000000
              85 H     23.250000000000   23.200000000000   16.760000000000
              86 H     22.890000000000   24.410000000000   19.180000000000
              87 H     21.760000000000   24.730000000000   17.840000000000
              88 H     23.670000000000   26.460000000000   19.180000000000
              89 H     22.490000000000   27.030000000000   18.090000000000
