-------------------------------------------------------------
----------------------- !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:    -1171.2071193024
# -----------------------------------------------------------
$ 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     6.1357     6.0000    -0.1357     3.8955     3.8955     0.0000
  1   0     6.2112     6.0000    -0.2112     3.9157     3.9157     0.0000
  2   0     6.1065     6.0000    -0.1065     3.8491     3.8491    -0.0000
  3   0     6.2326     6.0000    -0.2326     3.8919     3.8919     0.0000
  4   0     6.1336     6.0000    -0.1336     3.8784     3.8784     0.0000
  5   0     0.9163     1.0000     0.0837     0.9793     0.9793     0.0000
  6   0     0.9194     1.0000     0.0806     0.9756     0.9756     0.0000
  7   0     0.9100     1.0000     0.0900     0.9724     0.9724     0.0000
  8   0     0.9117     1.0000     0.0883     0.9726     0.9726    -0.0000
  9   0     0.9276     1.0000     0.0724     0.9904     0.9904    -0.0000
 10   0     0.9192     1.0000     0.0808     0.9774     0.9774    -0.0000
 11   0     0.9179     1.0000     0.0821     0.9700     0.9700    -0.0000
 12   0     0.9167     1.0000     0.0833     0.9713     0.9713     0.0000
 13   0     0.9170     1.0000     0.0830     0.9775     0.9775    -0.0000
 14   0     0.9249     1.0000     0.0751     0.9759     0.9759     0.0000
 15   0     6.2228     6.0000    -0.2228     3.9235     3.9235    -0.0000
 16   0     6.2199     6.0000    -0.2199     3.8893     3.8893    -0.0000
 17   0     6.1414     6.0000    -0.1414     3.8779     3.8779    -0.0000
 18   0     6.1935     6.0000    -0.1935     3.9590     3.9590    -0.0000
 19   0     6.0934     6.0000    -0.0934     3.8513     3.8513    -0.0000
 20   0     0.9015     1.0000     0.0985     0.9674     0.9674     0.0000
 21   0     0.9146     1.0000     0.0854     0.9748     0.9748    -0.0000
 22   0     0.9194     1.0000     0.0806     0.9731     0.9731    -0.0000
 23   0     0.9281     1.0000     0.0719     0.9774     0.9774     0.0000
 24   0     0.9038     1.0000     0.0962     0.9664     0.9664     0.0000
 25   0     0.9274     1.0000     0.0726     0.9730     0.9730     0.0000
 26   0     0.9083     1.0000     0.0917     0.9774     0.9774    -0.0000
 27   0     0.8942     1.0000     0.1058     0.9744     0.9744    -0.0000
 28   0     0.9272     1.0000     0.0728     0.9845     0.9845    -0.0000
 29   0     0.9046     1.0000     0.0954     0.9753     0.9753    -0.0000
 30   0     6.1368     6.0000    -0.1368     3.9056     3.9056     0.0000
 31   0     6.1553     6.0000    -0.1553     3.9308     3.9308     0.0000
 32   0     6.1150     6.0000    -0.1150     3.8691     3.8691     0.0000
 33   0     6.1705     6.0000    -0.1705     3.8557     3.8557    -0.0000
 34   0     6.1988     6.0000    -0.1988     3.8949     3.8949     0.0000
 35   0     0.9102     1.0000     0.0898     0.9785     0.9785     0.0000
 36   0     0.9217     1.0000     0.0783     0.9759     0.9759     0.0000
 37   0     0.9186     1.0000     0.0814     0.9770     0.9770     0.0000
 38   0     0.9204     1.0000     0.0796     0.9780     0.9780     0.0000
 39   0     0.9240     1.0000     0.0760     0.9780     0.9780     0.0000
 40   0     0.9203     1.0000     0.0797     0.9748     0.9748     0.0000
 41   0     0.9070     1.0000     0.0930     0.9663     0.9663    -0.0000
 42   0     0.9590     1.0000     0.0410     0.9819     0.9819     0.0000
 43   0     0.9244     1.0000     0.0756     0.9761     0.9761     0.0000
 44   0     0.9145     1.0000     0.0855     0.9707     0.9707     0.0000
 45   0     6.1505     6.0000    -0.1505     3.8872     3.8872     0.0000
 46   0     6.1464     6.0000    -0.1464     3.9097     3.9097    -0.0000
 47   0     6.1903     6.0000    -0.1903     3.8513     3.8513    -0.0000
 48   0     6.1651     6.0000    -0.1651     3.8419     3.8419    -0.0000
 49   0     6.1795     6.0000    -0.1795     3.9253     3.9253     0.0000
 50   0     0.9114     1.0000     0.0886     0.9751     0.9751     0.0000
 51   0     0.9294     1.0000     0.0706     0.9756     0.9756     0.0000
 52   0     0.9202     1.0000     0.0798     0.9757     0.9757     0.0000
 53   0     0.9166     1.0000     0.0834     0.9800     0.9800     0.0000
 54   0     0.9174     1.0000     0.0826     0.9746     0.9746    -0.0000
 55   0     0.9289     1.0000     0.0711     0.9732     0.9732     0.0000
 56   0     0.9072     1.0000     0.0928     0.9740     0.9740    -0.0000
 57   0     0.9179     1.0000     0.0821     0.9724     0.9724     0.0000
 58   0     0.9148     1.0000     0.0852     0.9714     0.9714    -0.0000
 59   0     0.9029     1.0000     0.0971     0.9782     0.9782    -0.0000
 60   0     6.1627     6.0000    -0.1627     3.9067     3.9067    -0.0000
 61   0     6.1676     6.0000    -0.1676     3.8948     3.8948     0.0000
 62   0     6.1714     6.0000    -0.1714     3.8768     3.8768     0.0000
 63   0     6.1870     6.0000    -0.1870     3.8888     3.8888    -0.0000
 64   0     6.1232     6.0000    -0.1232     3.8644     3.8644     0.0000
 65   0     0.9215     1.0000     0.0785     0.9744     0.9744     0.0000
 66   0     0.9043     1.0000     0.0957     0.9724     0.9724    -0.0000
 67   0     0.9175     1.0000     0.0825     0.9733     0.9733     0.0000
 68   0     0.9102     1.0000     0.0898     0.9756     0.9756     0.0000
 69   0     0.9171     1.0000     0.0829     0.9740     0.9740     0.0000
 70   0     0.9190     1.0000     0.0810     0.9725     0.9725     0.0000
 71   0     0.9092     1.0000     0.0908     0.9724     0.9724    -0.0000
 72   0     0.9210     1.0000     0.0790     0.9719     0.9719     0.0000
 73   0     0.9220     1.0000     0.0780     0.9769     0.9769     0.0000
 74   0     0.9463     1.0000     0.0537     0.9906     0.9906     0.0000
 75   0     6.2208     6.0000    -0.2208     3.8857     3.8857     0.0000
 76   0     6.1612     6.0000    -0.1612     3.9253     3.9253    -0.0000
 77   0     6.1203     6.0000    -0.1203     3.9163     3.9163    -0.0000
 78   0     6.1646     6.0000    -0.1646     3.9231     3.9231    -0.0000
 79   0     6.1557     6.0000    -0.1557     3.8814     3.8814     0.0000
 80   0     0.9175     1.0000     0.0825     0.9794     0.9794     0.0000
 81   0     0.9146     1.0000     0.0854     0.9723     0.9723     0.0000
 82   0     0.9155     1.0000     0.0845     0.9758     0.9758    -0.0000
 83   0     0.9412     1.0000     0.0588     0.9860     0.9860    -0.0000
 84   0     0.9073     1.0000     0.0927     0.9770     0.9770     0.0000
 85   0     0.9225     1.0000     0.0775     0.9779     0.9779     0.0000
 86   0     0.9165     1.0000     0.0835     0.9733     0.9733    -0.0000
 87   0     0.9243     1.0000     0.0757     0.9750     0.9750     0.0000
 88   0     0.9205     1.0000     0.0795     0.9736     0.9736     0.0000
 89   0     0.9022     1.0000     0.0978     0.9728     0.9728     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                0.972550
                0             6               4            6                0.974883
                0             6               5            1                0.992431
                0             6               6            1                0.989069
                1             6               2            6                0.965521
                1             6               7            1                0.991804
                1             6               8            1                0.992962
                2             6               3            6                0.958735
                2             6               9            1                0.992631
                2             6              10            1                0.989732
                3             6               4            6                0.960257
                3             6              11            1                0.996713
                3             6              12            1                0.994463
                4             6              13            1                0.991539
                4             6              14            1                0.996306
               15             6              16            6                0.983008
               15             6              19            6                0.965860
               15             6              20            1                0.992343
               15             6              21            1                0.996081
               16             6              17            6                0.955869
               16             6              22            1                0.992118
               16             6              23            1                0.985547
               17             6              18            6                0.998155
               17             6              24            1                0.981623
               17             6              25            1                0.994076
               18             6              19            6                0.977168
               18             6              26            1                0.985601
               18             6              27            1                0.982897
               19             6              28            1                0.993798
               19             6              29            1                0.987570
               30             6              31            6                0.990794
               30             6              34            6                0.970999
               30             6              35            1                0.986868
               30             6              36            1                0.990398
               31             6              32            6                0.981523
               31             6              37            1                0.994015
               31             6              38            1                0.989661
               32             6              33            6                0.940813
               32             6              39            1                0.995699
               32             6              40            1                0.991495
               33             6              34            6                0.962140
               33             6              41            1                0.993000
               33             6              42            1                1.000601
               34             6              43            1                1.001224
               34             6              44            1                0.986416
               45             6              46            6                0.973529
               45             6              49            6                0.978846
               45             6              50            1                0.986667
               45             6              51            1                0.996230
               46             6              47            6                0.971211
               46             6              52            1                0.998684
               46             6              53            1                0.989567
               47             6              48            6                0.942214
               47             6              54            1                0.991014
               47             6              55            1                0.995557
               48             6              49            6                0.968482
               48             6              56            1                0.990141
               48             6              57            1                0.990711
               49             6              58            1                0.993649
               49             6              59            1                0.986403
               60             6              61            6                0.973040
               60             6              64            6                0.962696
               60             6              65            1                0.998357
               60             6              66            1                0.989407
               61             6              62            6                0.962749
               61             6              67            1                0.993211
               61             6              68            1                0.992077
               62             6              63            6                0.966169
               62             6              69            1                0.994468
               62             6              70            1                0.994318
               63             6              64            6                0.955581
               63             6              71            1                0.988850
               63             6              72            1                0.999874
               64             6              73            1                0.992261
               64             6              74            1                1.003984
               75             6              76            6                0.986834
               75             6              79            6                0.956968
               75             6              80            1                0.989123
               75             6              81            1                0.982130
               76             6              77            6                0.976402
               76             6              82            1                0.989885
               76             6              83            1                1.000838
               77             6              78            6                0.985333
               77             6              84            1                0.987473
               77             6              85            1                0.998196
               78             6              79            6                0.978063
               78             6              86            1                0.994372
               78             6              87            1                0.994736
               79             6              88            1                0.986830
               79             6              89            1                0.996823
# -----------------------------------------------------------
$ 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     6.1431     6.0000    -0.1431     4.0015     3.6880     0.3135
  1   0     6.2190     6.0000    -0.2190     4.0279     3.6976     0.3303
  2   0     6.1130     6.0000    -0.1130     3.9543     3.6364     0.3179
  3   0     6.2406     6.0000    -0.2406     4.0072     3.6776     0.3296
  4   0     6.1409     6.0000    -0.1409     3.9844     3.6703     0.3141
  5   0     0.9124     1.0000     0.0876     0.9885     0.9386     0.0499
  6   0     0.9157     1.0000     0.0843     0.9852     0.9329     0.0523
  7   0     0.9064     1.0000     0.0936     0.9817     0.9289     0.0528
  8   0     0.9081     1.0000     0.0919     0.9820     0.9281     0.0539
  9   0     0.9242     1.0000     0.0758     1.0008     0.9491     0.0517
 10   0     0.9154     1.0000     0.0846     0.9869     0.9335     0.0534
 11   0     0.9142     1.0000     0.0858     0.9797     0.9268     0.0529
 12   0     0.9129     1.0000     0.0871     0.9808     0.9261     0.0547
 13   0     0.9132     1.0000     0.0868     0.9868     0.9369     0.0499
 14   0     0.9212     1.0000     0.0788     0.9858     0.9336     0.0522
 15   0     6.2303     6.0000    -0.2303     4.0377     3.7057     0.3320
 16   0     6.2275     6.0000    -0.2275     4.0049     3.6722     0.3327
 17   0     6.1494     6.0000    -0.1494     3.9913     3.6542     0.3371
 18   0     6.2019     6.0000    -0.2019     4.0724     3.7333     0.3391
 19   0     6.1022     6.0000    -0.1022     3.9619     3.6340     0.3279
 20   0     0.8978     1.0000     0.1022     0.9766     0.9246     0.0520
 21   0     0.9104     1.0000     0.0896     0.9840     0.9292     0.0548
 22   0     0.9153     1.0000     0.0847     0.9824     0.9302     0.0522
 23   0     0.9242     1.0000     0.0758     0.9875     0.9318     0.0557
 24   0     0.8995     1.0000     0.1005     0.9754     0.9199     0.0555
 25   0     0.9233     1.0000     0.0767     0.9830     0.9277     0.0553
 26   0     0.9041     1.0000     0.0959     0.9861     0.9353     0.0508
 27   0     0.8910     1.0000     0.1090     0.9840     0.9310     0.0530
 28   0     0.9228     1.0000     0.0772     0.9937     0.9394     0.0543
 29   0     0.9005     1.0000     0.0995     0.9843     0.9314     0.0529
 30   0     6.1449     6.0000    -0.1449     4.0133     3.6919     0.3214
 31   0     6.1627     6.0000    -0.1627     4.0357     3.7191     0.3166
 32   0     6.1238     6.0000    -0.1238     3.9770     3.6625     0.3145
 33   0     6.1775     6.0000    -0.1775     3.9656     3.6463     0.3193
 34   0     6.2059     6.0000    -0.2059     4.0047     3.6816     0.3231
 35   0     0.9063     1.0000     0.0937     0.9875     0.9358     0.0517
 36   0     0.9178     1.0000     0.0822     0.9853     0.9314     0.0539
 37   0     0.9148     1.0000     0.0852     0.9863     0.9331     0.0532
 38   0     0.9166     1.0000     0.0834     0.9874     0.9361     0.0513
 39   0     0.9201     1.0000     0.0799     0.9875     0.9364     0.0511
 40   0     0.9164     1.0000     0.0836     0.9843     0.9314     0.0529
 41   0     0.9031     1.0000     0.0969     0.9755     0.9237     0.0518
 42   0     0.9553     1.0000     0.0447     0.9936     0.9379     0.0557
 43   0     0.9206     1.0000     0.0794     0.9858     0.9342     0.0516
 44   0     0.9106     1.0000     0.0894     0.9800     0.9249     0.0551
 45   0     6.1580     6.0000    -0.1580     3.9945     3.6767     0.3178
 46   0     6.1540     6.0000    -0.1540     4.0162     3.6994     0.3168
 47   0     6.1989     6.0000    -0.1989     3.9667     3.6352     0.3315
 48   0     6.1723     6.0000    -0.1723     3.9547     3.6254     0.3293
 49   0     6.1877     6.0000    -0.1877     4.0352     3.7092     0.3260
 50   0     0.9076     1.0000     0.0924     0.9844     0.9348     0.0496
 51   0     0.9255     1.0000     0.0745     0.9854     0.9306     0.0548
 52   0     0.9162     1.0000     0.0838     0.9851     0.9339     0.0512
 53   0     0.9128     1.0000     0.0872     0.9893     0.9386     0.0507
 54   0     0.9134     1.0000     0.0866     0.9839     0.9275     0.0564
 55   0     0.9248     1.0000     0.0752     0.9828     0.9289     0.0539
 56   0     0.9031     1.0000     0.0969     0.9829     0.9306     0.0523
 57   0     0.9138     1.0000     0.0862     0.9820     0.9252     0.0568
 58   0     0.9109     1.0000     0.0891     0.9806     0.9246     0.0560
 59   0     0.8992     1.0000     0.1008     0.9869     0.9364     0.0505
 60   0     6.1701     6.0000    -0.1701     4.0139     3.6950     0.3189
 61   0     6.1748     6.0000    -0.1748     4.0033     3.6863     0.3170
 62   0     6.1791     6.0000    -0.1791     3.9872     3.6632     0.3240
 63   0     6.1947     6.0000    -0.1947     4.0007     3.6730     0.3277
 64   0     6.1305     6.0000    -0.1305     3.9703     3.6571     0.3132
 65   0     0.9178     1.0000     0.0822     0.9841     0.9307     0.0534
 66   0     0.9006     1.0000     0.0994     0.9814     0.9283     0.0531
 67   0     0.9138     1.0000     0.0862     0.9828     0.9283     0.0545
 68   0     0.9065     1.0000     0.0935     0.9849     0.9340     0.0509
 69   0     0.9131     1.0000     0.0869     0.9832     0.9315     0.0517
 70   0     0.9153     1.0000     0.0847     0.9820     0.9279     0.0541
 71   0     0.9053     1.0000     0.0947     0.9816     0.9289     0.0527
 72   0     0.9174     1.0000     0.0826     0.9820     0.9296     0.0524
 73   0     0.9182     1.0000     0.0818     0.9864     0.9339     0.0525
 74   0     0.9430     1.0000     0.0570     1.0017     0.9479     0.0538
 75   0     6.2286     6.0000    -0.2286     4.0046     3.6592     0.3454
 76   0     6.1685     6.0000    -0.1685     4.0326     3.7126     0.3200
 77   0     6.1280     6.0000    -0.1280     4.0207     3.7088     0.3119
 78   0     6.1722     6.0000    -0.1722     4.0295     3.7145     0.3150
 79   0     6.1644     6.0000    -0.1644     3.9936     3.6663     0.3273
 80   0     0.9136     1.0000     0.0864     0.9891     0.9342     0.0549
 81   0     0.9103     1.0000     0.0897     0.9815     0.9258     0.0557
 82   0     0.9117     1.0000     0.0883     0.9851     0.9330     0.0521
 83   0     0.9374     1.0000     0.0626     0.9963     0.9431     0.0532
 84   0     0.9035     1.0000     0.0965     0.9861     0.9354     0.0507
 85   0     0.9186     1.0000     0.0814     0.9873     0.9355     0.0518
 86   0     0.9127     1.0000     0.0873     0.9826     0.9304     0.0522
 87   0     0.9205     1.0000     0.0795     0.9847     0.9323     0.0524
 88   0     0.9165     1.0000     0.0835     0.9831     0.9287     0.0544
 89   0     0.8982     1.0000     0.1018     0.9813     0.9308     0.0505
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.910006
                0             6               4            6                0.914109
                0             6               5            1                0.953095
                0             6               6            1                0.947709
                1             6               2            6                0.899652
                1             6               7            1                0.949568
                1             6               8            1                0.949627
                2             6               3            6                0.897340
                2             6               9            1                0.952608
                2             6              10            1                0.947033
                3             6               4            6                0.896455
                3             6              11            1                0.954619
                3             6              12            1                0.950656
                4             6              13            1                0.952291
                4             6              14            1                0.955091
               15             6              16            6                0.916280
               15             6              19            6                0.904505
               15             6              20            1                0.950796
               15             6              21            1                0.951894
               16             6              17            6                0.895128
               16             6              22            1                0.950316
               16             6              23            1                0.941480
               17             6              18            6                0.926882
               17             6              24            1                0.936754
               17             6              25            1                0.949638
               18             6              19            6                0.910641
               18             6              26            1                0.944693
               18             6              27            1                0.940703
               19             6              28            1                0.949647
               19             6              29            1                0.944922
               30             6              31            6                0.927380
               30             6              34            6                0.908286
               30             6              35            1                0.945693
               30             6              36            1                0.947181
               31             6              32            6                0.919832
               31             6              37            1                0.951380
               31             6              38            1                0.949213
               32             6              33            6                0.881477
               32             6              39            1                0.955220
               32             6              40            1                0.949415
               33             6              34            6                0.900093
               33             6              41            1                0.951230
               33             6              42            1                0.957314
               34             6              43            1                0.960342
               34             6              44            1                0.942070
               45             6              46            6                0.910695
               45             6              49            6                0.916810
               45             6              50            1                0.947932
               45             6              51            1                0.952302
               46             6              47            6                0.907708
               46             6              52            1                0.958071
               46             6              53            1                0.949618
               47             6              48            6                0.881689
               47             6              54            1                0.945389
               47             6              55            1                0.952301
               48             6              49            6                0.904450
               48             6              56            1                0.947668
               48             6              57            1                0.944438
               49             6              58            1                0.948160
               49             6              59            1                0.946205
               60             6              61            6                0.910651
               60             6              64            6                0.902961
               60             6              65            1                0.955689
               60             6              66            1                0.946744
               61             6              62            6                0.904146
               61             6              67            1                0.949604
               61             6              68            1                0.951805
               62             6              63            6                0.898757
               62             6              69            1                0.953260
               62             6              70            1                0.950987
               63             6              64            6                0.894226
               63             6              71            1                0.946779
               63             6              72            1                0.958447
               64             6              73            1                0.950510
               64             6              74            1                0.962502
               75             6              76            6                0.921061
               75             6              79            6                0.889443
               75             6              80            1                0.944794
               75             6              81            1                0.936860
               76             6              77            6                0.915953
               76             6              82            1                0.948442
               76             6              83            1                0.959184
               77             6              78            6                0.923164
               77             6              84            1                0.947366
               77             6              85            1                0.956839
               78             6              79            6                0.917830
               78             6              86            1                0.952937
               78             6              87            1                0.953216
               79             6              88            1                0.943184
               79             6              89            1                0.956143
# -----------------------------------------------------------
$ 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     6.1999     6.0000    -0.1999     3.9951     3.6855     0.3096
  1   0     6.2601     6.0000    -0.2601     4.0096     3.6835     0.3261
  2   0     6.1723     6.0000    -0.1723     3.9597     3.6457     0.3140
  3   0     6.2814     6.0000    -0.2814     3.9879     3.6627     0.3252
  4   0     6.1929     6.0000    -0.1929     3.9673     3.6570     0.3103
  5   0     0.8874     1.0000     0.1126     0.9794     0.9305     0.0489
  6   0     0.8907     1.0000     0.1093     0.9770     0.9257     0.0513
  7   0     0.8832     1.0000     0.1168     0.9740     0.9222     0.0518
  8   0     0.8839     1.0000     0.1161     0.9733     0.9204     0.0529
  9   0     0.8988     1.0000     0.1012     0.9933     0.9429     0.0504
 10   0     0.8913     1.0000     0.1087     0.9781     0.9258     0.0523
 11   0     0.8875     1.0000     0.1125     0.9715     0.9197     0.0518
 12   0     0.8870     1.0000     0.1130     0.9709     0.9172     0.0537
 13   0     0.8881     1.0000     0.1119     0.9784     0.9296     0.0488
 14   0     0.8959     1.0000     0.1041     0.9768     0.9256     0.0512
 15   0     6.2687     6.0000    -0.2687     4.0182     3.6911     0.3271
 16   0     6.2768     6.0000    -0.2768     3.9903     3.6626     0.3277
 17   0     6.1913     6.0000    -0.1913     3.9826     3.6506     0.3320
 18   0     6.2409     6.0000    -0.2409     4.0475     3.7129     0.3346
 19   0     6.1596     6.0000    -0.1596     3.9624     3.6394     0.3230
 20   0     0.8764     1.0000     0.1236     0.9763     0.9255     0.0508
 21   0     0.8874     1.0000     0.1126     0.9754     0.9218     0.0536
 22   0     0.8884     1.0000     0.1116     0.9715     0.9204     0.0511
 23   0     0.8945     1.0000     0.1055     0.9802     0.9260     0.0542
 24   0     0.8795     1.0000     0.1205     0.9731     0.9187     0.0544
 25   0     0.8986     1.0000     0.1014     0.9768     0.9228     0.0540
 26   0     0.8857     1.0000     0.1143     0.9791     0.9292     0.0499
 27   0     0.8745     1.0000     0.1255     0.9821     0.9302     0.0519
 28   0     0.8993     1.0000     0.1007     0.9835     0.9303     0.0532
 29   0     0.8782     1.0000     0.1218     0.9793     0.9277     0.0516
 30   0     6.1931     6.0000    -0.1931     3.9962     3.6790     0.3172
 31   0     6.2134     6.0000    -0.2134     4.0143     3.7017     0.3126
 32   0     6.1825     6.0000    -0.1825     3.9672     3.6568     0.3104
 33   0     6.2287     6.0000    -0.2287     3.9483     3.6333     0.3150
 34   0     6.2517     6.0000    -0.2517     3.9873     3.6687     0.3186
 35   0     0.8850     1.0000     0.1150     0.9807     0.9299     0.0508
 36   0     0.8942     1.0000     0.1058     0.9784     0.9255     0.0529
 37   0     0.8901     1.0000     0.1099     0.9785     0.9263     0.0522
 38   0     0.8922     1.0000     0.1078     0.9804     0.9301     0.0503
 39   0     0.8944     1.0000     0.1056     0.9796     0.9295     0.0501
 40   0     0.8905     1.0000     0.1095     0.9769     0.9251     0.0518
 41   0     0.8771     1.0000     0.1229     0.9691     0.9186     0.0505
 42   0     0.9261     1.0000     0.0739     0.9875     0.9333     0.0542
 43   0     0.8923     1.0000     0.1077     0.9761     0.9257     0.0504
 44   0     0.8856     1.0000     0.1144     0.9731     0.9192     0.0539
 45   0     6.2151     6.0000    -0.2151     3.9805     3.6667     0.3138
 46   0     6.2021     6.0000    -0.2021     3.9857     3.6728     0.3129
 47   0     6.2463     6.0000    -0.2463     3.9523     3.6258     0.3265
 48   0     6.2225     6.0000    -0.2225     3.9520     3.6275     0.3245
 49   0     6.2267     6.0000    -0.2267     4.0178     3.6964     0.3214
 50   0     0.8845     1.0000     0.1155     0.9786     0.9300     0.0486
 51   0     0.8973     1.0000     0.1027     0.9751     0.9214     0.0537
 52   0     0.8927     1.0000     0.1073     0.9772     0.9270     0.0502
 53   0     0.8884     1.0000     0.1116     0.9822     0.9326     0.0496
 54   0     0.8887     1.0000     0.1113     0.9761     0.9209     0.0552
 55   0     0.8988     1.0000     0.1012     0.9781     0.9255     0.0526
 56   0     0.8778     1.0000     0.1222     0.9731     0.9220     0.0511
 57   0     0.8864     1.0000     0.1136     0.9769     0.9216     0.0553
 58   0     0.8896     1.0000     0.1104     0.9732     0.9181     0.0551
 59   0     0.8787     1.0000     0.1213     0.9806     0.9310     0.0496
 60   0     6.2166     6.0000    -0.2166     3.9991     3.6843     0.3148
 61   0     6.2267     6.0000    -0.2267     3.9967     3.6838     0.3129
 62   0     6.2245     6.0000    -0.2245     3.9757     3.6560     0.3197
 63   0     6.2399     6.0000    -0.2399     3.9782     3.6546     0.3236
 64   0     6.1908     6.0000    -0.1908     3.9632     3.6541     0.3091
 65   0     0.8922     1.0000     0.1078     0.9755     0.9232     0.0523
 66   0     0.8794     1.0000     0.1206     0.9744     0.9222     0.0522
 67   0     0.8880     1.0000     0.1120     0.9733     0.9199     0.0534
 68   0     0.8812     1.0000     0.1188     0.9766     0.9268     0.0498
 69   0     0.8894     1.0000     0.1106     0.9740     0.9233     0.0507
 70   0     0.8904     1.0000     0.1096     0.9771     0.9241     0.0530
 71   0     0.8832     1.0000     0.1168     0.9734     0.9216     0.0518
 72   0     0.8923     1.0000     0.1077     0.9783     0.9271     0.0512
 73   0     0.8923     1.0000     0.1077     0.9761     0.9246     0.0515
 74   0     0.9130     1.0000     0.0870     0.9981     0.9457     0.0524
 75   0     6.2722     6.0000    -0.2722     3.9965     3.6561     0.3404
 76   0     6.2241     6.0000    -0.2241     4.0159     3.7001     0.3158
 77   0     6.1804     6.0000    -0.1804     4.0108     3.7029     0.3079
 78   0     6.2173     6.0000    -0.2173     4.0176     3.7069     0.3107
 79   0     6.2177     6.0000    -0.2177     3.9822     3.6593     0.3229
 80   0     0.8891     1.0000     0.1109     0.9817     0.9281     0.0536
 81   0     0.8862     1.0000     0.1138     0.9757     0.9213     0.0544
 82   0     0.8866     1.0000     0.1134     0.9752     0.9241     0.0511
 83   0     0.9062     1.0000     0.0938     0.9907     0.9389     0.0518
 84   0     0.8820     1.0000     0.1180     0.9779     0.9282     0.0497
 85   0     0.8943     1.0000     0.1057     0.9783     0.9275     0.0508
 86   0     0.8886     1.0000     0.1114     0.9742     0.9230     0.0512
 87   0     0.8953     1.0000     0.1047     0.9765     0.9251     0.0514
 88   0     0.8924     1.0000     0.1076     0.9738     0.9204     0.0534
 89   0     0.8755     1.0000     0.1245     0.9752     0.9259     0.0493
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.919577
                0             6               4            6                0.924923
                0             6               5            1                0.941105
                0             6               6            1                0.935849
                1             6               2            6                0.909398
                1             6               7            1                0.936481
                1             6               8            1                0.936044
                2             6               3            6                0.912734
                2             6               9            1                0.942447
                2             6              10            1                0.935536
                3             6               4            6                0.901064
                3             6              11            1                0.941911
                3             6              12            1                0.934025
                4             6              13            1                0.940918
                4             6              14            1                0.941980
               15             6              16            6                0.917012
               15             6              19            6                0.924217
               15             6              20            1                0.935586
               15             6              21            1                0.933734
               16             6              17            6                0.912522
               16             6              22            1                0.936058
               16             6              23            1                0.923621
               17             6              18            6                0.930715
               17             6              24            1                0.915550
               17             6              25            1                0.937266
               18             6              19            6                0.918198
               18             6              26            1                0.933221
               18             6              27            1                0.926193
               19             6              28            1                0.931261
               19             6              29            1                0.930909
               30             6              31            6                0.934494
               30             6              34            6                0.917931
               30             6              35            1                0.932274
               30             6              36            1                0.934963
               31             6              32            6                0.926150
               31             6              37            1                0.937647
               31             6              38            1                0.937052
               32             6              33            6                0.895841
               32             6              39            1                0.944552
               32             6              40            1                0.934406
               33             6              34            6                0.905146
               33             6              41            1                0.938059
               33             6              42            1                0.941223
               34             6              43            1                0.948234
               34             6              44            1                0.928132
               45             6              46            6                0.916485
               45             6              49            6                0.926345
               45             6              50            1                0.937028
               45             6              51            1                0.938142
               46             6              47            6                0.910298
               46             6              52            1                0.944440
               46             6              53            1                0.937540
               47             6              48            6                0.897144
               47             6              54            1                0.929729
               47             6              55            1                0.938156
               48             6              49            6                0.916001
               48             6              56            1                0.934276
               48             6              57            1                0.928066
               49             6              58            1                0.930673
               49             6              59            1                0.935191
               60             6              61            6                0.921551
               60             6              64            6                0.916091
               60             6              65            1                0.941553
               60             6              66            1                0.932536
               61             6              62            6                0.920736
               61             6              67            1                0.933977
               61             6              68            1                0.939536
               62             6              63            6                0.901459
               62             6              69            1                0.939982
               62             6              70            1                0.936504
               63             6              64            6                0.904609
               63             6              71            1                0.931166
               63             6              72            1                0.948853
               64             6              73            1                0.934392
               64             6              74            1                0.949858
               75             6              76            6                0.928652
               75             6              79            6                0.898577
               75             6              80            1                0.930943
               75             6              81            1                0.923576
               76             6              77            6                0.927941
               76             6              82            1                0.931902
               76             6              83            1                0.944004
               77             6              78            6                0.935991
               77             6              84            1                0.933812
               77             6              85            1                0.940950
               78             6              79            6                0.928381
               78             6              86            1                0.937040
               78             6              87            1                0.939667
               79             6              88            1                0.926612
               79             6              89            1                0.942339
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2071193024
        Correlation Energy:       -5.0717651291
        Total MP2 Energy:      -1176.2788844315
# -----------------------------------------------------------
$ 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) :        0.3114495450
        Electronic Contribution:
                  0    
      0       0.321569
      1      -0.305288
      2      -0.165469
        Nuclear Contribution:
                  0    
      0      -0.289202
      1       0.329369
      2       0.281169
        Total Dipole moment:
                  0    
      0       0.032367
      1       0.024081
      2       0.115699
# -----------------------------------------------------------
$ 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) :        0.3106936189
        Electronic Contribution:
                  0    
      0       0.320867
      1      -0.305179
      2      -0.165612
        Nuclear Contribution:
                  0    
      0      -0.289202
      1       0.329369
      2       0.281169
        Total Dipole moment:
                  0    
      0       0.031665
      1       0.024190
      2       0.115556
# -----------------------------------------------------------
$ 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) :        0.2563062655
        Electronic Contribution:
                  0    
      0       0.302509
      1      -0.303071
      2      -0.184735
        Nuclear Contribution:
                  0    
      0      -0.289202
      1       0.329369
      2       0.281169
        Total Dipole moment:
                  0    
      0       0.013307
      1       0.026298
      2       0.096433
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     17.590000000000   18.270000000000   23.980000000000
               1 C     18.090000000000   16.810000000000   23.790000000000
               2 C     19.680000000000   16.880000000000   23.630000000000
               3 C     20.090000000000   18.350000000000   23.760000000000
               4 C     18.810000000000   19.160000000000   24.150000000000
               5 H     16.960000000000   18.400000000000   24.830000000000
               6 H     17.020000000000   18.610000000000   23.100000000000
               7 H     17.580000000000   16.300000000000   22.950000000000
               8 H     17.840000000000   16.130000000000   24.650000000000
               9 H     20.020000000000   16.500000000000   22.700000000000
              10 H     20.140000000000   16.310000000000   24.470000000000
              11 H     20.590000000000   18.740000000000   22.870000000000
              12 H     20.940000000000   18.590000000000   24.460000000000
              13 H     18.810000000000   20.060000000000   23.590000000000
              14 H     18.950000000000   19.450000000000   25.190000000000
              15 C     19.970000000000   12.750000000000   20.510000000000
              16 C     19.720000000000   13.120000000000   18.970000000000
              17 C     20.820000000000   14.060000000000   18.580000000000
              18 C     21.390000000000   14.790000000000   19.940000000000
              19 C     20.660000000000   13.970000000000   21.080000000000
              20 H     20.500000000000   11.810000000000   20.670000000000
              21 H     18.990000000000   12.640000000000   21.070000000000
              22 H     18.720000000000   13.530000000000   18.880000000000
              23 H     19.690000000000   12.320000000000   18.200000000000
              24 H     20.380000000000   14.670000000000   17.700000000000
              25 H     21.670000000000   13.420000000000   18.240000000000
              26 H     21.020000000000   15.810000000000   19.990000000000
              27 H     22.490000000000   14.690000000000   19.860000000000
              28 H     19.830000000000   14.620000000000   21.470000000000
              29 H     21.370000000000   13.700000000000   21.890000000000
              30 C     17.700000000000    7.990000000000   19.520000000000
              31 C     16.520000000000    8.100000000000   18.520000000000
              32 C     16.440000000000    9.550000000000   18.110000000000
              33 C     17.660000000000   10.280000000000   18.620000000000
              34 C     18.460000000000    9.330000000000   19.500000000000
              35 H     18.390000000000    7.160000000000   19.280000000000
              36 H     17.260000000000    7.890000000000   20.550000000000
              37 H     15.510000000000    7.890000000000   18.950000000000
              38 H     16.680000000000    7.500000000000   17.630000000000
              39 H     15.560000000000   10.000000000000   18.540000000000
              40 H     16.380000000000    9.650000000000   17.010000000000
              41 H     17.510000000000   11.250000000000   19.090000000000
              42 H     18.330000000000   10.570000000000   17.820000000000
              43 H     18.440000000000    9.740000000000   20.480000000000
              44 H     19.580000000000    9.240000000000   19.250000000000
              45 C     26.320000000000   16.660000000000   23.150000000000
              46 C     25.530000000000   15.680000000000   24.040000000000
              47 C     24.590000000000   14.920000000000   23.080000000000
              48 C     24.510000000000   15.730000000000   21.810000000000
              49 C     25.610000000000   16.850000000000   21.810000000000
              50 H     27.340000000000   16.380000000000   23.090000000000
              51 H     26.270000000000   17.650000000000   23.670000000000
              52 H     24.920000000000   16.250000000000   24.730000000000
              53 H     26.170000000000   15.000000000000   24.580000000000
              54 H     23.570000000000   14.820000000000   23.620000000000
              55 H     24.970000000000   13.890000000000   22.930000000000
              56 H     23.470000000000   16.090000000000   21.800000000000
              57 H     24.640000000000   15.000000000000   20.920000000000
              58 H     25.060000000000   17.880000000000   21.830000000000
              59 H     26.280000000000   16.800000000000   20.950000000000
              60 C     17.850000000000   13.930000000000   14.580000000000
              61 C     17.250000000000   12.500000000000   14.410000000000
              62 C     18.330000000000   11.490000000000   14.510000000000
              63 C     19.690000000000   12.310000000000   14.750000000000
              64 C     19.320000000000   13.800000000000   14.790000000000
              65 H     17.480000000000   14.380000000000   15.510000000000
              66 H     17.620000000000   14.700000000000   13.780000000000
              67 H     16.720000000000   12.340000000000   13.430000000000
              68 H     16.450000000000   12.240000000000   15.070000000000
              69 H     18.400000000000   10.910000000000   13.590000000000
              70 H     18.310000000000   10.720000000000   15.320000000000
              71 H     20.470000000000   12.020000000000   14.010000000000
              72 H     20.100000000000   11.970000000000   15.680000000000
              73 H     19.790000000000   14.420000000000   14.020000000000
              74 H     19.750000000000   14.210000000000   15.680000000000
              75 C     24.080000000000   12.320000000000   20.370000000000
              76 C     23.500000000000   10.910000000000   20.030000000000
              77 C     24.360000000000    9.980000000000   20.850000000000
              78 C     25.670000000000   10.680000000000   21.230000000000
              79 C     25.630000000000   12.100000000000   20.790000000000
              80 H     23.490000000000   12.760000000000   21.210000000000
              81 H     23.910000000000   12.930000000000   19.420000000000
              82 H     23.420000000000   10.760000000000   18.950000000000
              83 H     22.460000000000   10.860000000000   20.260000000000
              84 H     24.550000000000    9.010000000000   20.390000000000
              85 H     23.830000000000    9.810000000000   21.780000000000
              86 H     26.560000000000   10.180000000000   20.820000000000
              87 H     25.860000000000   10.730000000000   22.300000000000
              88 H     26.250000000000   12.250000000000   19.860000000000
              89 H     26.060000000000   12.800000000000   21.490000000000
