-------------------------------------------------------------
----------------------- !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:    -1171.2149866144
# -----------------------------------------------------------
$ 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     6.1254     6.0000    -0.1254     3.8885     3.8885     0.0000
  1   0     6.1494     6.0000    -0.1494     3.8824     3.8824     0.0000
  2   0     6.1765     6.0000    -0.1765     3.9075     3.9075    -0.0000
  3   0     6.1692     6.0000    -0.1692     3.9177     3.9177     0.0000
  4   0     6.1970     6.0000    -0.1970     3.8819     3.8819    -0.0000
  5   0     0.9061     1.0000     0.0939     0.9783     0.9783     0.0000
  6   0     0.9328     1.0000     0.0672     0.9739     0.9739     0.0000
  7   0     0.9096     1.0000     0.0904     0.9680     0.9680     0.0000
  8   0     0.9482     1.0000     0.0518     0.9855     0.9855     0.0000
  9   0     0.9182     1.0000     0.0818     0.9753     0.9753    -0.0000
 10   0     0.8987     1.0000     0.1013     0.9699     0.9699    -0.0000
 11   0     0.9117     1.0000     0.0883     0.9703     0.9703    -0.0000
 12   0     0.9134     1.0000     0.0866     0.9817     0.9817     0.0000
 13   0     0.9288     1.0000     0.0712     0.9663     0.9663     0.0000
 14   0     0.9135     1.0000     0.0865     0.9721     0.9721     0.0000
 15   0     6.1361     6.0000    -0.1361     3.8787     3.8787    -0.0000
 16   0     6.1744     6.0000    -0.1744     3.8988     3.8988     0.0000
 17   0     6.1334     6.0000    -0.1334     3.8854     3.8854     0.0000
 18   0     6.2167     6.0000    -0.2167     3.8672     3.8672     0.0000
 19   0     6.1997     6.0000    -0.1997     3.9182     3.9182     0.0000
 20   0     0.9421     1.0000     0.0579     0.9776     0.9776     0.0000
 21   0     0.9277     1.0000     0.0723     0.9832     0.9832    -0.0000
 22   0     0.8995     1.0000     0.1005     0.9650     0.9650     0.0000
 23   0     0.9063     1.0000     0.0937     0.9680     0.9680     0.0000
 24   0     0.9100     1.0000     0.0900     0.9692     0.9692     0.0000
 25   0     0.9009     1.0000     0.0991     0.9671     0.9671     0.0000
 26   0     0.9145     1.0000     0.0855     0.9704     0.9704    -0.0000
 27   0     0.9111     1.0000     0.0889     0.9711     0.9711     0.0000
 28   0     0.8926     1.0000     0.1074     0.9751     0.9751     0.0000
 29   0     0.9125     1.0000     0.0875     0.9788     0.9788     0.0000
 30   0     6.2331     6.0000    -0.2331     3.9133     3.9133    -0.0000
 31   0     6.1222     6.0000    -0.1222     3.8702     3.8702     0.0000
 32   0     6.1748     6.0000    -0.1748     3.9105     3.9105     0.0000
 33   0     6.1319     6.0000    -0.1319     3.8908     3.8908    -0.0000
 34   0     6.1368     6.0000    -0.1368     3.8747     3.8747    -0.0000
 35   0     0.9155     1.0000     0.0845     0.9728     0.9728    -0.0000
 36   0     0.9157     1.0000     0.0843     0.9718     0.9718    -0.0000
 37   0     0.9180     1.0000     0.0820     0.9723     0.9723     0.0000
 38   0     0.9273     1.0000     0.0727     0.9769     0.9769     0.0000
 39   0     0.9132     1.0000     0.0868     0.9825     0.9825     0.0000
 40   0     0.9263     1.0000     0.0737     0.9717     0.9717    -0.0000
 41   0     0.9063     1.0000     0.0937     0.9742     0.9742     0.0000
 42   0     0.9196     1.0000     0.0804     0.9785     0.9785     0.0000
 43   0     0.9104     1.0000     0.0896     0.9802     0.9802     0.0000
 44   0     0.9490     1.0000     0.0510     0.9910     0.9910     0.0000
 45   0     6.1116     6.0000    -0.1116     3.9043     3.9043     0.0000
 46   0     6.1739     6.0000    -0.1739     3.9044     3.9044     0.0000
 47   0     6.1464     6.0000    -0.1464     3.8354     3.8354     0.0000
 48   0     6.2034     6.0000    -0.2034     3.9154     3.9154     0.0000
 49   0     6.1331     6.0000    -0.1331     3.9039     3.9039    -0.0000
 50   0     0.9208     1.0000     0.0792     0.9854     0.9854     0.0000
 51   0     0.9357     1.0000     0.0643     0.9817     0.9817    -0.0000
 52   0     0.9288     1.0000     0.0712     0.9784     0.9784     0.0000
 53   0     0.9007     1.0000     0.0993     0.9686     0.9686     0.0000
 54   0     0.9264     1.0000     0.0736     0.9738     0.9738     0.0000
 55   0     0.9377     1.0000     0.0623     0.9868     0.9868    -0.0000
 56   0     0.9274     1.0000     0.0726     0.9773     0.9773    -0.0000
 57   0     0.9142     1.0000     0.0858     0.9728     0.9728     0.0000
 58   0     0.9221     1.0000     0.0779     0.9801     0.9801    -0.0000
 59   0     0.9233     1.0000     0.0767     0.9772     0.9772    -0.0000
 60   0     6.1270     6.0000    -0.1270     3.8856     3.8856    -0.0000
 61   0     6.1711     6.0000    -0.1711     3.9204     3.9204    -0.0000
 62   0     6.1661     6.0000    -0.1661     3.9095     3.9095    -0.0000
 63   0     6.1397     6.0000    -0.1397     3.8847     3.8847     0.0000
 64   0     6.1684     6.0000    -0.1684     3.9003     3.9003    -0.0000
 65   0     0.9155     1.0000     0.0845     0.9733     0.9733    -0.0000
 66   0     0.9355     1.0000     0.0645     0.9781     0.9781    -0.0000
 67   0     0.9222     1.0000     0.0778     0.9750     0.9750    -0.0000
 68   0     0.9146     1.0000     0.0854     0.9799     0.9799     0.0000
 69   0     0.9255     1.0000     0.0745     0.9744     0.9744    -0.0000
 70   0     0.9063     1.0000     0.0937     0.9752     0.9752    -0.0000
 71   0     0.9485     1.0000     0.0515     0.9846     0.9846     0.0000
 72   0     0.9138     1.0000     0.0862     0.9791     0.9791     0.0000
 73   0     0.9298     1.0000     0.0702     0.9810     0.9810    -0.0000
 74   0     0.9175     1.0000     0.0825     0.9792     0.9792    -0.0000
 75   0     6.0738     6.0000    -0.0738     3.8520     3.8520    -0.0000
 76   0     6.1626     6.0000    -0.1626     3.9320     3.9320    -0.0000
 77   0     6.1684     6.0000    -0.1684     3.8836     3.8836    -0.0000
 78   0     6.1716     6.0000    -0.1716     3.8945     3.8945    -0.0000
 79   0     6.1692     6.0000    -0.1692     3.8928     3.8928    -0.0000
 80   0     0.9875     1.0000     0.0125     1.0300     1.0300    -0.0000
 81   0     0.9226     1.0000     0.0774     0.9806     0.9806     0.0000
 82   0     0.9138     1.0000     0.0862     0.9692     0.9692    -0.0000
 83   0     0.9198     1.0000     0.0802     0.9800     0.9800    -0.0000
 84   0     0.9279     1.0000     0.0721     0.9782     0.9782     0.0000
 85   0     0.9112     1.0000     0.0888     0.9723     0.9723     0.0000
 86   0     0.9248     1.0000     0.0752     0.9732     0.9732    -0.0000
 87   0     0.9176     1.0000     0.0824     0.9811     0.9811    -0.0000
 88   0     0.9231     1.0000     0.0769     0.9737     0.9737    -0.0000
 89   0     0.9229     1.0000     0.0771     0.9848     0.9848    -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                0.963557
                0             6               4            6                0.973080
                0             6               5            1                0.982034
                0             6               6            1                1.005474
                1             6               2            6                0.964678
                1             6               7            1                0.991735
                1             6               8            1                0.995067
                2             6               3            6                0.989591
                2             6               9            1                0.989053
                2             6              10            1                0.981652
                3             6               4            6                0.965280
                3             6              11            1                0.996653
                3             6              12            1                0.992676
                4             6              13            1                1.003074
                4             6              14            1                0.988103
               15             6              16            6                0.962073
               15             6              19            6                0.975951
               15             6              20            1                0.997118
               15             6              21            1                0.990571
               16             6              17            6                0.979432
               16             6              22            1                0.992410
               16             6              23            1                0.995567
               17             6              18            6                0.955541
               17             6              24            1                0.997771
               17             6              25            1                0.988324
               18             6              19            6                0.974374
               18             6              26            1                0.994719
               18             6              27            1                0.996203
               19             6              28            1                0.989245
               19             6              29            1                0.996344
               30             6              31            6                0.968582
               30             6              34            6                0.968130
               30             6              35            1                0.996207
               30             6              36            1                0.996736
               31             6              32            6                0.976899
               31             6              37            1                0.989923
               31             6              38            1                0.994050
               32             6              33            6                0.966560
               32             6              39            1                0.994684
               32             6              40            1                0.996348
               33             6              34            6                0.963347
               33             6              41            1                0.993377
               33             6              42            1                0.995274
               34             6              43            1                0.993109
               34             6              44            1                0.987193
               45             6              46            6                0.978948
               45             6              49            6                0.980277
               45             6              50            1                0.991583
               45             6              51            1                0.988328
               46             6              47            6                0.946368
               46             6              52            1                1.003057
               46             6              53            1                0.993068
               47             6              48            6                0.965697
               47             6              54            1                0.978172
               47             6              55            1                0.997877
               48             6              49            6                0.978259
               48             6              56            1                0.998081
               48             6              57            1                0.987574
               49             6              58            1                0.989904
               49             6              59            1                0.994575
               60             6              61            6                0.974633
               60             6              64            6                0.972857
               60             6              65            1                0.991118
               60             6              66            1                0.998593
               61             6              62            6                0.988382
               61             6              67            1                0.992795
               61             6              68            1                0.985111
               62             6              63            6                0.966266
               62             6              69            1                0.994503
               62             6              70            1                0.986952
               63             6              64            6                0.973917
               63             6              71            1                0.999354
               63             6              72            1                0.984266
               64             6              73            1                0.998578
               64             6              74            1                0.983022
               75             6              76            6                0.972429
               75             6              79            6                0.958283
               75             6              80            1                0.989211
               75             6              81            1                0.989870
               76             6              77            6                0.975891
               76             6              82            1                0.993735
               76             6              83            1                0.995725
               77             6              78            6                0.962243
               77             6              84            1                0.998064
               77             6              85            1                0.986827
               78             6              79            6                0.971425
               78             6              86            1                0.999002
               78             6              87            1                0.993706
               79             6              88            1                0.993716
               79             6              89            1                0.995467
# -----------------------------------------------------------
$ 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     6.1327     6.0000    -0.1327     3.9937     3.6870     0.3067
  1   0     6.1574     6.0000    -0.1574     3.9921     3.6689     0.3232
  2   0     6.1843     6.0000    -0.1843     4.0179     3.6940     0.3239
  3   0     6.1773     6.0000    -0.1773     4.0268     3.7087     0.3181
  4   0     6.2057     6.0000    -0.2057     3.9959     3.6691     0.3268
  5   0     0.9021     1.0000     0.0979     0.9871     0.9388     0.0483
  6   0     0.9287     1.0000     0.0713     0.9839     0.9304     0.0535
  7   0     0.9054     1.0000     0.0946     0.9771     0.9246     0.0525
  8   0     0.9449     1.0000     0.0551     0.9971     0.9426     0.0545
  9   0     0.9142     1.0000     0.0858     0.9847     0.9320     0.0527
 10   0     0.8947     1.0000     0.1053     0.9786     0.9256     0.0530
 11   0     0.9076     1.0000     0.0924     0.9793     0.9288     0.0505
 12   0     0.9096     1.0000     0.0904     0.9908     0.9410     0.0498
 13   0     0.9247     1.0000     0.0753     0.9762     0.9203     0.0559
 14   0     0.9096     1.0000     0.0904     0.9815     0.9300     0.0515
 15   0     6.1431     6.0000    -0.1431     3.9888     3.6606     0.3282
 16   0     6.1847     6.0000    -0.1847     4.0153     3.6886     0.3267
 17   0     6.1429     6.0000    -0.1429     3.9979     3.6743     0.3236
 18   0     6.2248     6.0000    -0.2248     3.9852     3.6500     0.3352
 19   0     6.2067     6.0000    -0.2067     4.0303     3.7046     0.3257
 20   0     0.9382     1.0000     0.0618     0.9888     0.9347     0.0541
 21   0     0.9231     1.0000     0.0769     0.9926     0.9375     0.0551
 22   0     0.8952     1.0000     0.1048     0.9735     0.9220     0.0515
 23   0     0.9018     1.0000     0.0982     0.9764     0.9256     0.0508
 24   0     0.9056     1.0000     0.0944     0.9780     0.9277     0.0503
 25   0     0.8965     1.0000     0.1035     0.9755     0.9281     0.0474
 26   0     0.9102     1.0000     0.0898     0.9796     0.9277     0.0519
 27   0     0.9070     1.0000     0.0930     0.9805     0.9299     0.0506
 28   0     0.8890     1.0000     0.1110     0.9840     0.9345     0.0495
 29   0     0.9085     1.0000     0.0915     0.9879     0.9376     0.0503
 30   0     6.2406     6.0000    -0.2406     4.0262     3.6985     0.3277
 31   0     6.1306     6.0000    -0.1306     3.9776     3.6609     0.3167
 32   0     6.1825     6.0000    -0.1825     4.0201     3.7007     0.3194
 33   0     6.1404     6.0000    -0.1404     4.0013     3.6748     0.3265
 34   0     6.1435     6.0000    -0.1435     3.9820     3.6617     0.3203
 35   0     0.9116     1.0000     0.0884     0.9821     0.9290     0.0531
 36   0     0.9119     1.0000     0.0881     0.9813     0.9260     0.0553
 37   0     0.9141     1.0000     0.0859     0.9818     0.9292     0.0526
 38   0     0.9232     1.0000     0.0768     0.9864     0.9335     0.0529
 39   0     0.9090     1.0000     0.0910     0.9913     0.9417     0.0496
 40   0     0.9226     1.0000     0.0774     0.9817     0.9273     0.0544
 41   0     0.9023     1.0000     0.0977     0.9832     0.9322     0.0510
 42   0     0.9159     1.0000     0.0841     0.9883     0.9328     0.0555
 43   0     0.9060     1.0000     0.0940     0.9887     0.9384     0.0503
 44   0     0.9461     1.0000     0.0539     1.0034     0.9477     0.0557
 45   0     6.1188     6.0000    -0.1188     4.0074     3.6963     0.3111
 46   0     6.1829     6.0000    -0.1829     4.0178     3.6927     0.3251
 47   0     6.1527     6.0000    -0.1527     3.9446     3.6238     0.3208
 48   0     6.2112     6.0000    -0.2112     4.0264     3.7001     0.3263
 49   0     6.1414     6.0000    -0.1414     4.0109     3.6964     0.3145
 50   0     0.9167     1.0000     0.0833     0.9945     0.9447     0.0498
 51   0     0.9320     1.0000     0.0680     0.9920     0.9391     0.0529
 52   0     0.9248     1.0000     0.0752     0.9882     0.9346     0.0536
 53   0     0.8966     1.0000     0.1034     0.9774     0.9278     0.0496
 54   0     0.9234     1.0000     0.0766     0.9857     0.9314     0.0543
 55   0     0.9335     1.0000     0.0665     0.9968     0.9451     0.0517
 56   0     0.9235     1.0000     0.0765     0.9872     0.9331     0.0541
 57   0     0.9102     1.0000     0.0898     0.9820     0.9292     0.0528
 58   0     0.9180     1.0000     0.0820     0.9894     0.9388     0.0506
 59   0     0.9193     1.0000     0.0807     0.9868     0.9353     0.0515
 60   0     6.1353     6.0000    -0.1353     3.9931     3.6796     0.3135
 61   0     6.1785     6.0000    -0.1785     4.0277     3.7063     0.3214
 62   0     6.1742     6.0000    -0.1742     4.0185     3.6976     0.3209
 63   0     6.1467     6.0000    -0.1467     3.9912     3.6732     0.3180
 64   0     6.1761     6.0000    -0.1761     4.0089     3.6925     0.3164
 65   0     0.9116     1.0000     0.0884     0.9828     0.9321     0.0507
 66   0     0.9315     1.0000     0.0685     0.9880     0.9363     0.0517
 67   0     0.9182     1.0000     0.0818     0.9844     0.9317     0.0527
 68   0     0.9108     1.0000     0.0892     0.9892     0.9358     0.0534
 69   0     0.9215     1.0000     0.0785     0.9840     0.9295     0.0545
 70   0     0.9026     1.0000     0.0974     0.9842     0.9337     0.0505
 71   0     0.9448     1.0000     0.0552     0.9955     0.9410     0.0545
 72   0     0.9100     1.0000     0.0900     0.9883     0.9374     0.0509
 73   0     0.9258     1.0000     0.0742     0.9904     0.9390     0.0514
 74   0     0.9135     1.0000     0.0865     0.9884     0.9373     0.0511
 75   0     6.0807     6.0000    -0.0807     3.9560     3.6346     0.3214
 76   0     6.1700     6.0000    -0.1700     4.0378     3.7244     0.3134
 77   0     6.1763     6.0000    -0.1763     3.9924     3.6764     0.3160
 78   0     6.1793     6.0000    -0.1793     4.0029     3.6816     0.3213
 79   0     6.1769     6.0000    -0.1769     4.0018     3.6813     0.3205
 80   0     0.9844     1.0000     0.0156     1.0428     0.9834     0.0594
 81   0     0.9184     1.0000     0.0816     0.9898     0.9356     0.0542
 82   0     0.9099     1.0000     0.0901     0.9785     0.9235     0.0550
 83   0     0.9159     1.0000     0.0841     0.9892     0.9399     0.0493
 84   0     0.9240     1.0000     0.0760     0.9877     0.9352     0.0525
 85   0     0.9075     1.0000     0.0925     0.9815     0.9304     0.0511
 86   0     0.9209     1.0000     0.0791     0.9829     0.9286     0.0543
 87   0     0.9138     1.0000     0.0862     0.9905     0.9407     0.0498
 88   0     0.9190     1.0000     0.0810     0.9832     0.9309     0.0523
 89   0     0.9197     1.0000     0.0803     0.9953     0.9428     0.0525
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.903210
                0             6               4            6                0.915243
                0             6               5            1                0.944227
                0             6               6            1                0.963045
                1             6               2            6                0.899585
                1             6               7            1                0.949398
                1             6               8            1                0.953227
                2             6               3            6                0.929583
                2             6               9            1                0.946993
                2             6              10            1                0.938944
                3             6               4            6                0.899128
                3             6              11            1                0.956223
                3             6              12            1                0.953416
                4             6              13            1                0.957772
                4             6              14            1                0.947481
               15             6              16            6                0.899581
               15             6              19            6                0.909906
               15             6              20            1                0.954936
               15             6              21            1                0.945993
               16             6              17            6                0.918158
               16             6              22            1                0.950242
               16             6              23            1                0.954236
               17             6              18            6                0.887161
               17             6              24            1                0.957054
               17             6              25            1                0.950542
               18             6              19            6                0.909652
               18             6              26            1                0.953026
               18             6              27            1                0.955908
               19             6              28            1                0.949951
               19             6              29            1                0.956115
               30             6              31            6                0.906287
               30             6              34            6                0.905497
               30             6              35            1                0.953568
               30             6              36            1                0.952190
               31             6              32            6                0.916504
               31             6              37            1                0.948179
               31             6              38            1                0.951920
               32             6              33            6                0.903448
               32             6              39            1                0.955472
               32             6              40            1                0.953106
               33             6              34            6                0.899447
               33             6              41            1                0.952535
               33             6              42            1                0.950782
               34             6              43            1                0.952396
               34             6              44            1                0.945075
               45             6              46            6                0.916438
               45             6              49            6                0.919419
               45             6              50            1                0.952424
               45             6              51            1                0.947062
               46             6              47            6                0.883266
               46             6              52            1                0.960399
               46             6              53            1                0.953378
               47             6              48            6                0.902071
               47             6              54            1                0.937170
               47             6              55            1                0.957144
               48             6              49            6                0.914954
               48             6              56            1                0.955095
               48             6              57            1                0.945387
               49             6              58            1                0.950012
               49             6              59            1                0.954006
               60             6              61            6                0.911474
               60             6              64            6                0.913350
               60             6              65            1                0.951358
               60             6              66            1                0.957777
               61             6              62            6                0.925495
               61             6              67            1                0.950765
               61             6              68            1                0.942687
               62             6              63            6                0.904442
               62             6              69            1                0.950622
               62             6              70            1                0.947111
               63             6              64            6                0.910390
               63             6              71            1                0.956601
               63             6              72            1                0.944050
               64             6              73            1                0.957415
               64             6              74            1                0.942653
               75             6              76            6                0.909921
               75             6              79            6                0.895867
               75             6              80            1                0.944434
               75             6              81            1                0.945885
               76             6              77            6                0.917536
               76             6              82            1                0.949479
               76             6              83            1                0.956973
               77             6              78            6                0.899030
               77             6              84            1                0.956227
               77             6              85            1                0.946507
               78             6              79            6                0.907346
               78             6              86            1                0.955414
               78             6              87            1                0.954576
               79             6              88            1                0.952046
               79             6              89            1                0.954816
# -----------------------------------------------------------
$ 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     6.1794     6.0000    -0.1794     3.9732     3.6708     0.3024
  1   0     6.2142     6.0000    -0.2142     3.9846     3.6656     0.3190
  2   0     6.2255     6.0000    -0.2255     4.0064     3.6870     0.3194
  3   0     6.2333     6.0000    -0.2333     4.0125     3.6983     0.3142
  4   0     6.2551     6.0000    -0.2551     3.9683     3.6458     0.3225
  5   0     0.8781     1.0000     0.1219     0.9809     0.9337     0.0472
  6   0     0.9028     1.0000     0.0972     0.9741     0.9216     0.0525
  7   0     0.8842     1.0000     0.1158     0.9713     0.9199     0.0514
  8   0     0.9142     1.0000     0.0858     0.9911     0.9381     0.0530
  9   0     0.8916     1.0000     0.1084     0.9765     0.9247     0.0518
 10   0     0.8735     1.0000     0.1265     0.9742     0.9223     0.0519
 11   0     0.8839     1.0000     0.1161     0.9712     0.9217     0.0495
 12   0     0.8829     1.0000     0.1171     0.9814     0.9328     0.0486
 13   0     0.8974     1.0000     0.1026     0.9664     0.9117     0.0547
 14   0     0.8824     1.0000     0.1176     0.9755     0.9253     0.0502
 15   0     6.1912     6.0000    -0.1912     3.9686     3.6450     0.3236
 16   0     6.2385     6.0000    -0.2385     3.9891     3.6668     0.3223
 17   0     6.2081     6.0000    -0.2081     3.9792     3.6593     0.3199
 18   0     6.2725     6.0000    -0.2725     3.9710     3.6403     0.3307
 19   0     6.2497     6.0000    -0.2497     4.0055     3.6841     0.3214
 20   0     0.9127     1.0000     0.0873     0.9863     0.9337     0.0526
 21   0     0.8929     1.0000     0.1071     0.9842     0.9306     0.0536
 22   0     0.8712     1.0000     0.1288     0.9669     0.9166     0.0503
 23   0     0.8759     1.0000     0.1241     0.9712     0.9218     0.0494
 24   0     0.8801     1.0000     0.1199     0.9708     0.9217     0.0491
 25   0     0.8756     1.0000     0.1244     0.9746     0.9284     0.0462
 26   0     0.8840     1.0000     0.1160     0.9729     0.9224     0.0505
 27   0     0.8810     1.0000     0.1190     0.9737     0.9244     0.0493
 28   0     0.8655     1.0000     0.1345     0.9793     0.9310     0.0483
 29   0     0.8837     1.0000     0.1163     0.9797     0.9306     0.0491
 30   0     6.2734     6.0000    -0.2734     3.9992     3.6763     0.3229
 31   0     6.1835     6.0000    -0.1835     3.9602     3.6477     0.3125
 32   0     6.2324     6.0000    -0.2324     4.0018     3.6866     0.3152
 33   0     6.1903     6.0000    -0.1903     3.9881     3.6658     0.3223
 34   0     6.2024     6.0000    -0.2024     3.9869     3.6709     0.3160
 35   0     0.8869     1.0000     0.1131     0.9749     0.9229     0.0520
 36   0     0.8872     1.0000     0.1128     0.9734     0.9193     0.0541
 37   0     0.8902     1.0000     0.1098     0.9744     0.9228     0.0516
 38   0     0.8970     1.0000     0.1030     0.9781     0.9263     0.0518
 39   0     0.8859     1.0000     0.1141     0.9809     0.9324     0.0485
 40   0     0.8966     1.0000     0.1034     0.9794     0.9263     0.0531
 41   0     0.8817     1.0000     0.1183     0.9758     0.9258     0.0500
 42   0     0.8917     1.0000     0.1083     0.9836     0.9293     0.0543
 43   0     0.8803     1.0000     0.1197     0.9788     0.9297     0.0491
 44   0     0.9213     1.0000     0.0787     1.0019     0.9476     0.0543
 45   0     6.1709     6.0000    -0.1709     3.9891     3.6821     0.3070
 46   0     6.2332     6.0000    -0.2332     3.9961     3.6751     0.3210
 47   0     6.2037     6.0000    -0.2037     3.9395     3.6232     0.3163
 48   0     6.2468     6.0000    -0.2468     3.9944     3.6726     0.3218
 49   0     6.1933     6.0000    -0.1933     3.9907     3.6803     0.3104
 50   0     0.8914     1.0000     0.1086     0.9843     0.9356     0.0487
 51   0     0.9091     1.0000     0.0909     0.9931     0.9413     0.0518
 52   0     0.8968     1.0000     0.1032     0.9815     0.9293     0.0522
 53   0     0.8752     1.0000     0.1248     0.9713     0.9227     0.0486
 54   0     0.9036     1.0000     0.0964     0.9883     0.9352     0.0531
 55   0     0.9082     1.0000     0.0918     0.9894     0.9389     0.0505
 56   0     0.8973     1.0000     0.1027     0.9801     0.9272     0.0529
 57   0     0.8869     1.0000     0.1131     0.9747     0.9230     0.0517
 58   0     0.8938     1.0000     0.1062     0.9824     0.9329     0.0495
 59   0     0.8958     1.0000     0.1042     0.9790     0.9285     0.0505
 60   0     6.1932     6.0000    -0.1932     3.9713     3.6616     0.3097
 61   0     6.2195     6.0000    -0.2195     4.0038     3.6867     0.3171
 62   0     6.2224     6.0000    -0.2224     4.0048     3.6882     0.3166
 63   0     6.2008     6.0000    -0.2008     3.9786     3.6646     0.3140
 64   0     6.2267     6.0000    -0.2267     3.9881     3.6758     0.3123
 65   0     0.8882     1.0000     0.1118     0.9764     0.9267     0.0497
 66   0     0.9009     1.0000     0.0991     0.9780     0.9275     0.0505
 67   0     0.8949     1.0000     0.1051     0.9774     0.9257     0.0517
 68   0     0.8888     1.0000     0.1112     0.9814     0.9290     0.0524
 69   0     0.8954     1.0000     0.1046     0.9758     0.9224     0.0534
 70   0     0.8809     1.0000     0.1191     0.9775     0.9280     0.0495
 71   0     0.9168     1.0000     0.0832     0.9901     0.9369     0.0532
 72   0     0.8863     1.0000     0.1137     0.9805     0.9307     0.0498
 73   0     0.8985     1.0000     0.1015     0.9825     0.9322     0.0503
 74   0     0.8882     1.0000     0.1118     0.9800     0.9300     0.0500
 75   0     6.1501     6.0000    -0.1501     3.9542     3.6371     0.3171
 76   0     6.2155     6.0000    -0.2155     4.0147     3.7057     0.3090
 77   0     6.2293     6.0000    -0.2293     3.9739     3.6619     0.3120
 78   0     6.2229     6.0000    -0.2229     3.9684     3.6512     0.3172
 79   0     6.2301     6.0000    -0.2301     3.9793     3.6632     0.3161
 80   0     0.9417     1.0000     0.0583     1.0347     0.9769     0.0578
 81   0     0.8943     1.0000     0.1057     0.9806     0.9275     0.0531
 82   0     0.8876     1.0000     0.1124     0.9718     0.9177     0.0541
 83   0     0.8908     1.0000     0.1092     0.9823     0.9341     0.0482
 84   0     0.8953     1.0000     0.1047     0.9767     0.9253     0.0514
 85   0     0.8832     1.0000     0.1168     0.9754     0.9254     0.0500
 86   0     0.8960     1.0000     0.1040     0.9753     0.9221     0.0532
 87   0     0.8888     1.0000     0.1112     0.9859     0.9372     0.0487
 88   0     0.8936     1.0000     0.1064     0.9753     0.9241     0.0512
 89   0     0.8915     1.0000     0.1085     0.9912     0.9401     0.0511
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.912625
                0             6               4            6                0.924452
                0             6               5            1                0.933614
                0             6               6            1                0.944999
                1             6               2            6                0.910419
                1             6               7            1                0.934034
                1             6               8            1                0.941693
                2             6               3            6                0.941392
                2             6               9            1                0.933360
                2             6              10            1                0.926744
                3             6               4            6                0.902495
                3             6              11            1                0.943375
                3             6              12            1                0.940160
                4             6              13            1                0.940426
                4             6              14            1                0.933971
               15             6              16            6                0.906745
               15             6              19            6                0.913732
               15             6              20            1                0.943115
               15             6              21            1                0.929373
               16             6              17            6                0.922154
               16             6              22            1                0.936399
               16             6              23            1                0.938019
               17             6              18            6                0.887988
               17             6              24            1                0.943353
               17             6              25            1                0.939014
               18             6              19            6                0.915422
               18             6              26            1                0.939633
               18             6              27            1                0.944885
               19             6              28            1                0.937460
               19             6              29            1                0.943481
               30             6              31            6                0.916424
               30             6              34            6                0.915689
               30             6              35            1                0.939947
               30             6              36            1                0.935245
               31             6              32            6                0.923887
               31             6              37            1                0.934240
               31             6              38            1                0.937052
               32             6              33            6                0.913396
               32             6              39            1                0.938882
               32             6              40            1                0.938250
               33             6              34            6                0.913376
               33             6              41            1                0.938106
               33             6              42            1                0.933247
               34             6              43            1                0.939077
               34             6              44            1                0.933897
               45             6              46            6                0.923587
               45             6              49            6                0.927266
               45             6              50            1                0.938886
               45             6              51            1                0.933314
               46             6              47            6                0.896084
               46             6              52            1                0.943230
               46             6              53            1                0.939584
               47             6              48            6                0.906995
               47             6              54            1                0.926718
               47             6              55            1                0.943218
               48             6              49            6                0.923131
               48             6              56            1                0.940671
               48             6              57            1                0.932210
               49             6              58            1                0.937530
               49             6              59            1                0.938449
               60             6              61            6                0.918652
               60             6              64            6                0.920083
               60             6              65            1                0.935955
               60             6              66            1                0.945607
               61             6              62            6                0.932329
               61             6              67            1                0.938410
               61             6              68            1                0.928497
               62             6              63            6                0.918467
               62             6              69            1                0.936631
               62             6              70            1                0.934178
               63             6              64            6                0.914186
               63             6              71            1                0.944440
               63             6              72            1                0.932271
               64             6              73            1                0.945507
               64             6              74            1                0.930914
               75             6              76            6                0.920998
               75             6              79            6                0.904544
               75             6              80            1                0.932874
               75             6              81            1                0.931468
               76             6              77            6                0.929242
               76             6              82            1                0.932436
               76             6              83            1                0.944828
               77             6              78            6                0.901683
               77             6              84            1                0.942409
               77             6              85            1                0.933383
               78             6              79            6                0.909209
               78             6              86            1                0.940432
               78             6              87            1                0.945066
               79             6              88            1                0.939657
               79             6              89            1                0.944223
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2149866144
        Correlation Energy:       -5.0746974690
        Total MP2 Energy:      -1176.2896840834
# -----------------------------------------------------------
$ 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) :        0.4159467241
        Electronic Contribution:
                  0    
      0      -0.094112
      1       0.010065
      2      -0.856916
        Nuclear Contribution:
                  0    
      0       0.064267
      1       0.048200
      2       0.706938
        Total Dipole moment:
                  0    
      0      -0.029845
      1       0.058266
      2      -0.149978
# -----------------------------------------------------------
$ 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) :        0.4135876907
        Electronic Contribution:
                  0    
      0      -0.094676
      1       0.010354
      2      -0.855675
        Nuclear Contribution:
                  0    
      0       0.064267
      1       0.048200
      2       0.706938
        Total Dipole moment:
                  0    
      0      -0.030409
      1       0.058555
      2      -0.148737
# -----------------------------------------------------------
$ 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) :        0.3030915134
        Electronic Contribution:
                  0    
      0      -0.089579
      1       0.017441
      2      -0.803216
        Nuclear Contribution:
                  0    
      0       0.064267
      1       0.048200
      2       0.706938
        Total Dipole moment:
                  0    
      0      -0.025312
      1       0.065641
      2      -0.096278
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     16.550000000000   17.150000000000   21.570000000000
               1 C     17.760000000000   17.390000000000   20.710000000000
               2 C     18.970000000000   16.540000000000   21.240000000000
               3 C     18.440000000000   15.700000000000   22.360000000000
               4 C     16.880000000000   15.970000000000   22.360000000000
               5 H     15.610000000000   17.140000000000   21.100000000000
               6 H     16.500000000000   17.950000000000   22.330000000000
               7 H     17.910000000000   18.490000000000   20.630000000000
               8 H     17.540000000000   17.040000000000   19.730000000000
               9 H     19.640000000000   17.300000000000   21.670000000000
              10 H     19.470000000000   15.960000000000   20.400000000000
              11 H     18.770000000000   15.970000000000   23.350000000000
              12 H     18.620000000000   14.660000000000   22.340000000000
              13 H     16.630000000000   16.110000000000   23.450000000000
              14 H     16.270000000000   15.100000000000   22.200000000000
              15 C     16.990000000000   14.240000000000   18.930000000000
              16 C     17.780000000000   13.490000000000   17.860000000000
              17 C     16.880000000000   12.550000000000   17.070000000000
              18 C     15.450000000000   12.580000000000   17.800000000000
              19 C     15.560000000000   13.540000000000   19.040000000000
              20 H     16.880000000000   15.260000000000   18.620000000000
              21 H     17.600000000000   14.290000000000   19.890000000000
              22 H     18.610000000000   12.970000000000   18.360000000000
              23 H     18.310000000000   14.190000000000   17.230000000000
              24 H     17.240000000000   11.540000000000   17.130000000000
              25 H     16.690000000000   12.740000000000   16.070000000000
              26 H     15.180000000000   11.550000000000   18.000000000000
              27 H     14.780000000000   12.960000000000   17.070000000000
              28 H     15.420000000000   13.120000000000   20.000000000000
              29 H     14.770000000000   14.230000000000   18.910000000000
              30 C     18.500000000000   19.310000000000   17.470000000000
              31 C     19.020000000000   20.130000000000   16.290000000000
              32 C     19.430000000000   19.180000000000   15.210000000000
              33 C     19.630000000000   17.810000000000   15.930000000000
              34 C     18.920000000000   17.840000000000   17.320000000000
              35 H     17.420000000000   19.510000000000   17.540000000000
              36 H     18.910000000000   19.830000000000   18.390000000000
              37 H     19.850000000000   20.800000000000   16.600000000000
              38 H     18.200000000000   20.760000000000   15.920000000000
              39 H     20.270000000000   19.580000000000   14.700000000000
              40 H     18.680000000000   19.160000000000   14.390000000000
              41 H     20.670000000000   17.580000000000   16.130000000000
              42 H     19.250000000000   16.990000000000   15.250000000000
              43 H     19.590000000000   17.640000000000   18.150000000000
              44 H     18.090000000000   17.150000000000   17.320000000000
              45 C     16.040000000000   17.750000000000   13.740000000000
              46 C     16.670000000000   16.360000000000   13.860000000000
              47 C     16.340000000000   15.700000000000   15.230000000000
              48 C     15.130000000000   16.530000000000   15.700000000000
              49 C     14.870000000000   17.650000000000   14.680000000000
              50 H     15.690000000000   17.870000000000   12.740000000000
              51 H     16.760000000000   18.520000000000   14.030000000000
              52 H     17.740000000000   16.510000000000   13.730000000000
              53 H     16.430000000000   15.620000000000   13.130000000000
              54 H     17.130000000000   15.650000000000   15.960000000000
              55 H     15.980000000000   14.710000000000   15.060000000000
              56 H     15.380000000000   17.010000000000   16.660000000000
              57 H     14.200000000000   15.940000000000   15.840000000000
              58 H     14.700000000000   18.530000000000   15.270000000000
              59 H     14.020000000000   17.380000000000   14.060000000000
              60 C     10.750000000000   11.280000000000   17.430000000000
              61 C     10.540000000000    9.870000000000   18.030000000000
              62 C     11.340000000000    9.860000000000   19.340000000000
              63 C     12.290000000000   11.060000000000   19.270000000000
              64 C     12.020000000000   11.840000000000   17.960000000000
              65 H      9.900000000000   11.940000000000   17.550000000000
              66 H     10.890000000000   11.170000000000   16.380000000000
              67 H     10.990000000000    9.160000000000   17.310000000000
              68 H      9.440000000000    9.670000000000   18.190000000000
              69 H     11.960000000000    8.920000000000   19.340000000000
              70 H     10.690000000000    9.820000000000   20.210000000000
              71 H     13.320000000000   10.740000000000   19.170000000000
              72 H     12.210000000000   11.650000000000   20.170000000000
              73 H     12.840000000000   11.670000000000   17.280000000000
              74 H     11.890000000000   12.910000000000   18.050000000000
              75 C     17.630000000000   10.590000000000   20.310000000000
              76 C     18.180000000000    9.170000000000   20.100000000000
              77 C     17.150000000000    8.150000000000   20.380000000000
              78 C     16.000000000000    8.880000000000   21.110000000000
              79 C     16.340000000000   10.380000000000   21.100000000000
              80 H     17.390000000000   11.180000000000   19.380000000000
              81 H     18.330000000000   11.160000000000   20.990000000000
              82 H     19.080000000000    9.000000000000   20.800000000000
              83 H     18.510000000000    9.060000000000   19.120000000000
              84 H     17.510000000000    7.400000000000   21.080000000000
              85 H     16.800000000000    7.530000000000   19.560000000000
              86 H     16.030000000000    8.530000000000   22.180000000000
              87 H     15.040000000000    8.750000000000   20.690000000000
              88 H     16.510000000000   10.640000000000   22.150000000000
              89 H     15.450000000000   10.830000000000   20.730000000000
