-------------------------------------------------------------
----------------------- !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:    -1171.2028811137
# -----------------------------------------------------------
$ 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     6.1632     6.0000    -0.1632     3.9039     3.9039     0.0000
  1   0     6.1804     6.0000    -0.1804     3.9056     3.9056     0.0000
  2   0     6.1660     6.0000    -0.1660     3.8508     3.8508     0.0000
  3   0     6.1191     6.0000    -0.1191     3.8703     3.8703     0.0000
  4   0     6.1883     6.0000    -0.1883     3.9105     3.9105     0.0000
  5   0     0.9138     1.0000     0.0862     0.9778     0.9778    -0.0000
  6   0     0.9116     1.0000     0.0884     0.9792     0.9792     0.0000
  7   0     0.9029     1.0000     0.0971     0.9738     0.9738    -0.0000
  8   0     0.9196     1.0000     0.0804     0.9769     0.9769    -0.0000
  9   0     0.9396     1.0000     0.0604     0.9825     0.9825     0.0000
 10   0     0.9140     1.0000     0.0860     0.9850     0.9850    -0.0000
 11   0     0.9093     1.0000     0.0907     0.9733     0.9733    -0.0000
 12   0     0.9236     1.0000     0.0764     0.9648     0.9648     0.0000
 13   0     0.9178     1.0000     0.0822     0.9718     0.9718     0.0000
 14   0     0.9252     1.0000     0.0748     0.9756     0.9756     0.0000
 15   0     6.1878     6.0000    -0.1878     3.8671     3.8671     0.0000
 16   0     6.1943     6.0000    -0.1943     3.8563     3.8563    -0.0000
 17   0     6.1682     6.0000    -0.1682     3.8899     3.8899    -0.0000
 18   0     6.1482     6.0000    -0.1482     3.9070     3.9070    -0.0000
 19   0     6.1396     6.0000    -0.1396     3.8932     3.8932     0.0000
 20   0     0.9245     1.0000     0.0755     0.9763     0.9763     0.0000
 21   0     0.9142     1.0000     0.0858     0.9770     0.9770     0.0000
 22   0     0.9137     1.0000     0.0863     0.9741     0.9741    -0.0000
 23   0     0.9160     1.0000     0.0840     0.9713     0.9713    -0.0000
 24   0     0.9196     1.0000     0.0804     0.9743     0.9743    -0.0000
 25   0     0.9135     1.0000     0.0865     0.9755     0.9755     0.0000
 26   0     0.9150     1.0000     0.0850     0.9814     0.9814     0.0000
 27   0     0.9162     1.0000     0.0838     0.9757     0.9757    -0.0000
 28   0     0.9211     1.0000     0.0789     0.9769     0.9769     0.0000
 29   0     0.9070     1.0000     0.0930     0.9792     0.9792    -0.0000
 30   0     6.1502     6.0000    -0.1502     3.9246     3.9246    -0.0000
 31   0     6.1493     6.0000    -0.1493     3.8728     3.8728     0.0000
 32   0     6.1898     6.0000    -0.1898     3.8965     3.8965     0.0000
 33   0     6.2140     6.0000    -0.2140     3.8972     3.8972     0.0000
 34   0     6.1385     6.0000    -0.1385     3.8970     3.8970     0.0000
 35   0     0.9127     1.0000     0.0873     0.9785     0.9785     0.0000
 36   0     0.9189     1.0000     0.0811     0.9763     0.9763    -0.0000
 37   0     0.9146     1.0000     0.0854     0.9757     0.9757     0.0000
 38   0     0.9230     1.0000     0.0770     0.9727     0.9727     0.0000
 39   0     0.9153     1.0000     0.0847     0.9702     0.9702    -0.0000
 40   0     0.9021     1.0000     0.0979     0.9582     0.9582     0.0000
 41   0     0.9155     1.0000     0.0845     0.9705     0.9705    -0.0000
 42   0     0.9138     1.0000     0.0862     0.9714     0.9714     0.0000
 43   0     0.9081     1.0000     0.0919     0.9748     0.9748     0.0000
 44   0     0.9274     1.0000     0.0726     0.9737     0.9737     0.0000
 45   0     6.1536     6.0000    -0.1536     3.8923     3.8923     0.0000
 46   0     6.1670     6.0000    -0.1670     3.8878     3.8878    -0.0000
 47   0     6.1707     6.0000    -0.1707     3.8542     3.8542     0.0000
 48   0     6.1342     6.0000    -0.1342     3.9105     3.9105     0.0000
 49   0     6.1601     6.0000    -0.1601     3.9034     3.9034     0.0000
 50   0     0.9313     1.0000     0.0687     0.9792     0.9792     0.0000
 51   0     0.9148     1.0000     0.0852     0.9718     0.9718    -0.0000
 52   0     0.9337     1.0000     0.0663     0.9779     0.9779    -0.0000
 53   0     0.8961     1.0000     0.1039     0.9709     0.9709    -0.0000
 54   0     0.9215     1.0000     0.0785     0.9765     0.9765     0.0000
 55   0     0.9318     1.0000     0.0682     0.9867     0.9867     0.0000
 56   0     0.9199     1.0000     0.0801     0.9789     0.9789    -0.0000
 57   0     0.9162     1.0000     0.0838     0.9765     0.9765    -0.0000
 58   0     0.9275     1.0000     0.0725     0.9796     0.9796     0.0000
 59   0     0.9210     1.0000     0.0790     0.9760     0.9760     0.0000
 60   0     6.0986     6.0000    -0.0986     3.8867     3.8867    -0.0000
 61   0     6.1446     6.0000    -0.1446     3.8885     3.8885    -0.0000
 62   0     6.1728     6.0000    -0.1728     3.8970     3.8970     0.0000
 63   0     6.1473     6.0000    -0.1473     3.8911     3.8911     0.0000
 64   0     6.1949     6.0000    -0.1949     3.9188     3.9188    -0.0000
 65   0     0.9182     1.0000     0.0818     0.9781     0.9781     0.0000
 66   0     0.9664     1.0000     0.0336     1.0114     1.0114    -0.0000
 67   0     0.9737     1.0000     0.0263     0.9832     0.9832     0.0000
 68   0     0.9048     1.0000     0.0952     0.9741     0.9741     0.0000
 69   0     0.9157     1.0000     0.0843     0.9701     0.9701     0.0000
 70   0     0.9052     1.0000     0.0948     0.9737     0.9737     0.0000
 71   0     0.9290     1.0000     0.0710     0.9835     0.9835    -0.0000
 72   0     0.9135     1.0000     0.0865     0.9793     0.9793     0.0000
 73   0     0.9251     1.0000     0.0749     0.9796     0.9796     0.0000
 74   0     0.8999     1.0000     0.1001     0.9712     0.9712    -0.0000
 75   0     6.1617     6.0000    -0.1617     3.8900     3.8900    -0.0000
 76   0     6.2095     6.0000    -0.2095     3.8877     3.8877    -0.0000
 77   0     6.1552     6.0000    -0.1552     3.8943     3.8943    -0.0000
 78   0     6.1840     6.0000    -0.1840     3.8831     3.8831    -0.0000
 79   0     6.1289     6.0000    -0.1289     3.8935     3.8935    -0.0000
 80   0     0.9049     1.0000     0.0951     0.9753     0.9753     0.0000
 81   0     0.9638     1.0000     0.0362     0.9941     0.9941     0.0000
 82   0     0.9080     1.0000     0.0920     0.9745     0.9745    -0.0000
 83   0     0.9105     1.0000     0.0895     0.9775     0.9775    -0.0000
 84   0     0.9134     1.0000     0.0866     0.9781     0.9781    -0.0000
 85   0     0.9056     1.0000     0.0944     0.9766     0.9766    -0.0000
 86   0     0.9184     1.0000     0.0816     0.9785     0.9785    -0.0000
 87   0     0.9114     1.0000     0.0886     0.9758     0.9758    -0.0000
 88   0     0.9230     1.0000     0.0770     0.9833     0.9833     0.0000
 89   0     0.9061     1.0000     0.0939     0.9800     0.9800     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                0.980305
                0             6               4            6                0.972678
                0             6               5            1                0.992535
                0             6               6            1                0.992586
                1             6               2            6                0.963365
                1             6               7            1                0.991877
                1             6               8            1                0.995817
                2             6               3            6                0.959731
                2             6               9            1                0.984069
                2             6              10            1                0.990158
                3             6               4            6                0.976856
                3             6              11            1                0.983863
                3             6              12            1                0.990038
                4             6              13            1                0.994995
                4             6              14            1                0.996809
               15             6              16            6                0.960318
               15             6              19            6                0.953732
               15             6              20            1                0.998793
               15             6              21            1                0.990644
               16             6              17            6                0.954689
               16             6              22            1                0.988876
               16             6              23            1                0.994796
               17             6              18            6                0.975351
               17             6              24            1                0.998879
               17             6              25            1                0.991554
               18             6              19            6                0.984459
               18             6              26            1                0.994428
               18             6              27            1                0.984298
               19             6              28            1                0.995217
               19             6              29            1                0.990090
               30             6              31            6                0.977066
               30             6              34            6                0.987391
               30             6              35            1                0.992378
               30             6              36            1                0.989822
               31             6              32            6                0.949557
               31             6              37            1                0.994769
               31             6              38            1                1.003725
               32             6              33            6                0.977528
               32             6              39            1                0.999377
               32             6              40            1                0.987117
               33             6              34            6                0.968367
               33             6              41            1                1.000028
               33             6              42            1                0.991166
               34             6              43            1                0.991745
               34             6              44            1                0.990264
               45             6              46            6                0.979878
               45             6              49            6                0.962412
               45             6              50            1                1.000368
               45             6              51            1                0.995735
               46             6              47            6                0.951277
               46             6              52            1                0.997781
               46             6              53            1                0.983713
               47             6              48            6                0.966830
               47             6              54            1                0.994099
               47             6              55            1                0.992216
               48             6              49            6                0.988817
               48             6              56            1                0.989421
               48             6              57            1                0.989381
               49             6              58            1                0.994010
               49             6              59            1                0.992539
               60             6              61            6                0.979981
               60             6              64            6                0.962287
               60             6              65            1                0.980734
               60             6              66            1                0.996261
               61             6              62            6                0.962138
               61             6              67            1                0.992182
               61             6              68            1                0.983778
               62             6              63            6                0.979163
               62             6              69            1                0.996434
               62             6              70            1                0.985218
               63             6              64            6                0.976877
               63             6              71            1                0.992511
               63             6              72            1                0.985638
               64             6              73            1                1.002822
               64             6              74            1                0.988513
               75             6              76            6                0.969448
               75             6              79            6                0.975450
               75             6              80            1                0.977790
               75             6              81            1                1.004289
               76             6              77            6                0.967989
               76             6              82            1                0.991284
               76             6              83            1                0.988720
               77             6              78            6                0.969051
               77             6              84            1                0.995671
               77             6              85            1                0.988397
               78             6              79            6                0.972892
               78             6              86            1                0.991849
               78             6              87            1                0.982362
               79             6              88            1                0.997813
               79             6              89            1                0.978394
# -----------------------------------------------------------
$ Mayer_Pop
   description: The Mayer population analysis
   geom. index: 1
   prop. index: 2
     Number of atoms                     : 90
     Threshold for printing              : 0.1000000
     Number of bond orders printed       : 90
  NA   - Mulliken gross atomic population
  ZA   - Total nuclear charge
  QA   - Mulliken gross atomic charge
  VA   - Mayer's total valence
  BVA  - Mayer's bonded valence
  FA   - Mayer's free valence
  ATOM       NA         ZA         QA         VA         BVA        FA
  0   0     6.1703     6.0000    -0.1703     4.0122     3.6895     0.3227
  1   0     6.1882     6.0000    -0.1882     4.0169     3.6920     0.3249
  2   0     6.1735     6.0000    -0.1735     3.9638     3.6319     0.3319
  3   0     6.1280     6.0000    -0.1280     3.9810     3.6599     0.3211
  4   0     6.1962     6.0000    -0.1962     4.0212     3.6977     0.3235
  5   0     0.9101     1.0000     0.0899     0.9872     0.9347     0.0525
  6   0     0.9078     1.0000     0.0922     0.9883     0.9369     0.0514
  7   0     0.8991     1.0000     0.1009     0.9828     0.9344     0.0484
  8   0     0.9158     1.0000     0.0842     0.9866     0.9352     0.0514
  9   0     0.9360     1.0000     0.0640     0.9940     0.9361     0.0579
 10   0     0.9106     1.0000     0.0894     0.9956     0.9414     0.0542
 11   0     0.9048     1.0000     0.0952     0.9820     0.9326     0.0494
 12   0     0.9194     1.0000     0.0806     0.9749     0.9221     0.0528
 13   0     0.9139     1.0000     0.0861     0.9815     0.9286     0.0529
 14   0     0.9212     1.0000     0.0788     0.9853     0.9306     0.0547
 15   0     6.1948     6.0000    -0.1948     3.9778     3.6571     0.3207
 16   0     6.2020     6.0000    -0.2020     3.9707     3.6429     0.3278
 17   0     6.1764     6.0000    -0.1764     4.0007     3.6753     0.3254
 18   0     6.1555     6.0000    -0.1555     4.0136     3.6946     0.3190
 19   0     6.1477     6.0000    -0.1477     4.0016     3.6792     0.3224
 20   0     0.9207     1.0000     0.0793     0.9860     0.9308     0.0552
 21   0     0.9104     1.0000     0.0896     0.9863     0.9368     0.0495
 22   0     0.9098     1.0000     0.0902     0.9834     0.9296     0.0538
 23   0     0.9120     1.0000     0.0880     0.9807     0.9258     0.0549
 24   0     0.9158     1.0000     0.0842     0.9839     0.9317     0.0522
 25   0     0.9097     1.0000     0.0903     0.9847     0.9325     0.0522
 26   0     0.9111     1.0000     0.0889     0.9904     0.9400     0.0504
 27   0     0.9125     1.0000     0.0875     0.9852     0.9313     0.0539
 28   0     0.9173     1.0000     0.0827     0.9866     0.9324     0.0542
 29   0     0.9032     1.0000     0.0968     0.9881     0.9381     0.0500
 30   0     6.1575     6.0000    -0.1575     4.0308     3.7116     0.3192
 31   0     6.1579     6.0000    -0.1579     3.9858     3.6595     0.3263
 32   0     6.1975     6.0000    -0.1975     4.0094     3.6875     0.3219
 33   0     6.2218     6.0000    -0.2218     4.0120     3.6859     0.3261
 34   0     6.1463     6.0000    -0.1463     4.0056     3.6829     0.3227
 35   0     0.9088     1.0000     0.0912     0.9874     0.9369     0.0505
 36   0     0.9152     1.0000     0.0848     0.9860     0.9340     0.0520
 37   0     0.9105     1.0000     0.0895     0.9849     0.9326     0.0523
 38   0     0.9190     1.0000     0.0810     0.9823     0.9289     0.0534
 39   0     0.9109     1.0000     0.0891     0.9791     0.9269     0.0522
 40   0     0.8982     1.0000     0.1018     0.9677     0.9151     0.0526
 41   0     0.9116     1.0000     0.0884     0.9800     0.9276     0.0524
 42   0     0.9100     1.0000     0.0900     0.9808     0.9262     0.0546
 43   0     0.9042     1.0000     0.0958     0.9839     0.9325     0.0514
 44   0     0.9236     1.0000     0.0764     0.9837     0.9276     0.0561
 45   0     6.1615     6.0000    -0.1615     4.0003     3.6836     0.3167
 46   0     6.1747     6.0000    -0.1747     3.9991     3.6779     0.3212
 47   0     6.1775     6.0000    -0.1775     3.9643     3.6432     0.3211
 48   0     6.1421     6.0000    -0.1421     4.0177     3.6949     0.3228
 49   0     6.1678     6.0000    -0.1678     4.0103     3.6930     0.3173
 50   0     0.9275     1.0000     0.0725     0.9892     0.9368     0.0524
 51   0     0.9109     1.0000     0.0891     0.9811     0.9301     0.0510
 52   0     0.9298     1.0000     0.0702     0.9879     0.9357     0.0522
 53   0     0.8923     1.0000     0.1077     0.9796     0.9299     0.0497
 54   0     0.9178     1.0000     0.0822     0.9864     0.9329     0.0535
 55   0     0.9281     1.0000     0.0719     0.9973     0.9431     0.0542
 56   0     0.9160     1.0000     0.0840     0.9884     0.9363     0.0521
 57   0     0.9124     1.0000     0.0876     0.9858     0.9331     0.0527
 58   0     0.9237     1.0000     0.0763     0.9893     0.9372     0.0521
 59   0     0.9172     1.0000     0.0828     0.9854     0.9346     0.0508
 60   0     6.1057     6.0000    -0.1057     3.9928     3.6706     0.3222
 61   0     6.1525     6.0000    -0.1525     3.9979     3.6726     0.3253
 62   0     6.1811     6.0000    -0.1811     4.0084     3.6841     0.3243
 63   0     6.1555     6.0000    -0.1555     4.0022     3.6671     0.3351
 64   0     6.2033     6.0000    -0.2033     4.0323     3.7006     0.3317
 65   0     0.9137     1.0000     0.0863     0.9875     0.9345     0.0530
 66   0     0.9623     1.0000     0.0377     1.0220     0.9680     0.0540
 67   0     0.9700     1.0000     0.0300     0.9952     0.9370     0.0582
 68   0     0.9008     1.0000     0.0992     0.9830     0.9338     0.0492
 69   0     0.9117     1.0000     0.0883     0.9794     0.9282     0.0512
 70   0     0.9011     1.0000     0.0989     0.9825     0.9301     0.0524
 71   0     0.9250     1.0000     0.0750     0.9934     0.9393     0.0541
 72   0     0.9094     1.0000     0.0906     0.9886     0.9356     0.0530
 73   0     0.9213     1.0000     0.0787     0.9893     0.9358     0.0535
 74   0     0.8961     1.0000     0.1039     0.9800     0.9270     0.0530
 75   0     6.1707     6.0000    -0.1707     4.0041     3.6695     0.3346
 76   0     6.2162     6.0000    -0.2162     3.9997     3.6681     0.3316
 77   0     6.1633     6.0000    -0.1633     4.0044     3.6794     0.3250
 78   0     6.1916     6.0000    -0.1916     3.9950     3.6668     0.3282
 79   0     6.1362     6.0000    -0.1362     4.0011     3.6805     0.3206
 80   0     0.9009     1.0000     0.0991     0.9842     0.9341     0.0501
 81   0     0.9596     1.0000     0.0404     1.0052     0.9478     0.0574
 82   0     0.9042     1.0000     0.0958     0.9837     0.9302     0.0535
 83   0     0.9069     1.0000     0.0931     0.9871     0.9315     0.0556
 84   0     0.9095     1.0000     0.0905     0.9873     0.9356     0.0517
 85   0     0.9018     1.0000     0.0982     0.9855     0.9354     0.0501
 86   0     0.9146     1.0000     0.0854     0.9882     0.9367     0.0515
 87   0     0.9076     1.0000     0.0924     0.9851     0.9330     0.0521
 88   0     0.9191     1.0000     0.0809     0.9928     0.9395     0.0533
 89   0     0.9021     1.0000     0.0979     0.9890     0.9380     0.0510
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.914090
                0             6               4            6                0.910831
                0             6               5            1                0.950747
                0             6               6            1                0.951653
                1             6               2            6                0.897978
                1             6               7            1                0.953877
                1             6               8            1                0.955099
                2             6               3            6                0.896365
                2             6               9            1                0.938969
                2             6              10            1                0.948058
                3             6               4            6                0.914472
                3             6              11            1                0.944686
                3             6              12            1                0.948072
                4             6              13            1                0.953138
                4             6              14            1                0.953189
               15             6              16            6                0.902033
               15             6              19            6                0.888617
               15             6              20            1                0.954315
               15             6              21            1                0.951789
               16             6              17            6                0.890096
               16             6              22            1                0.945708
               16             6              23            1                0.950319
               17             6              18            6                0.911768
               17             6              24            1                0.957456
               17             6              25            1                0.949957
               18             6              19            6                0.922029
               18             6              26            1                0.954404
               18             6              27            1                0.941461
               19             6              28            1                0.951862
               19             6              29            1                0.950432
               30             6              31            6                0.911381
               30             6              34            6                0.924782
               30             6              35            1                0.952296
               30             6              36            1                0.948871
               31             6              32            6                0.889448
               31             6              37            1                0.953017
               31             6              38            1                0.960532
               32             6              33            6                0.917589
               32             6              39            1                0.956873
               32             6              40            1                0.944653
               33             6              34            6                0.905605
               33             6              41            1                0.958237
               33             6              42            1                0.947485
               34             6              43            1                0.950899
               34             6              44            1                0.945506
               45             6              46            6                0.915443
               45             6              49            6                0.902423
               45             6              50            1                0.958956
               45             6              51            1                0.955315
               46             6              47            6                0.890563
               46             6              52            1                0.956429
               46             6              53            1                0.944207
               47             6              48            6                0.904306
               47             6              54            1                0.951437
               47             6              55            1                0.949825
               48             6              49            6                0.922680
               48             6              56            1                0.948161
               48             6              57            1                0.947315
               49             6              58            1                0.952960
               49             6              59            1                0.952475
               60             6              61            6                0.913780
               60             6              64            6                0.901863
               60             6              65            1                0.938372
               60             6              66            1                0.953699
               61             6              62            6                0.900840
               61             6              67            1                0.946893
               61             6              68            1                0.944829
               62             6              63            6                0.913065
               62             6              69            1                0.955454
               62             6              70            1                0.943392
               63             6              64            6                0.907880
               63             6              71            1                0.949513
               63             6              72            1                0.943257
               64             6              73            1                0.960207
               64             6              74            1                0.945840
               75             6              76            6                0.902716
               75             6              79            6                0.911027
               75             6              80            1                0.937962
               75             6              81            1                0.959087
               76             6              77            6                0.906170
               76             6              82            1                0.948269
               76             6              83            1                0.944135
               77             6              78            6                0.900630
               77             6              84            1                0.954420
               77             6              85            1                0.948615
               78             6              79            6                0.910384
               78             6              86            1                0.951436
               78             6              87            1                0.941370
               79             6              88            1                0.955311
               79             6              89            1                0.938481
# -----------------------------------------------------------
$ 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     6.2186     6.0000    -0.2186     3.9987     3.6801     0.3186
  1   0     6.2347     6.0000    -0.2347     4.0001     3.6794     0.3207
  2   0     6.2151     6.0000    -0.2151     3.9475     3.6205     0.3270
  3   0     6.1886     6.0000    -0.1886     3.9757     3.6590     0.3167
  4   0     6.2332     6.0000    -0.2332     3.9905     3.6718     0.3187
  5   0     0.8861     1.0000     0.1139     0.9801     0.9287     0.0514
  6   0     0.8856     1.0000     0.1144     0.9805     0.9301     0.0504
  7   0     0.8770     1.0000     0.1230     0.9754     0.9281     0.0473
  8   0     0.8903     1.0000     0.1097     0.9783     0.9280     0.0503
  9   0     0.9112     1.0000     0.0888     0.9937     0.9374     0.0563
 10   0     0.8902     1.0000     0.1098     0.9905     0.9376     0.0529
 11   0     0.8829     1.0000     0.1171     0.9757     0.9275     0.0482
 12   0     0.8966     1.0000     0.1034     0.9755     0.9241     0.0514
 13   0     0.8901     1.0000     0.1099     0.9748     0.9230     0.0518
 14   0     0.8941     1.0000     0.1059     0.9780     0.9247     0.0533
 15   0     6.2499     6.0000    -0.2499     3.9727     3.6565     0.3162
 16   0     6.2470     6.0000    -0.2470     3.9615     3.6386     0.3229
 17   0     6.2275     6.0000    -0.2275     3.9783     3.6568     0.3215
 18   0     6.2096     6.0000    -0.2096     4.0037     3.6888     0.3149
 19   0     6.1940     6.0000    -0.1940     3.9816     3.6633     0.3183
 20   0     0.8917     1.0000     0.1083     0.9765     0.9225     0.0540
 21   0     0.8837     1.0000     0.1163     0.9782     0.9299     0.0483
 22   0     0.8840     1.0000     0.1160     0.9753     0.9227     0.0526
 23   0     0.8870     1.0000     0.1130     0.9730     0.9193     0.0537
 24   0     0.8905     1.0000     0.1095     0.9758     0.9246     0.0512
 25   0     0.8841     1.0000     0.1159     0.9756     0.9245     0.0511
 26   0     0.8863     1.0000     0.1137     0.9817     0.9324     0.0493
 27   0     0.8893     1.0000     0.1107     0.9776     0.9246     0.0530
 28   0     0.8936     1.0000     0.1064     0.9787     0.9255     0.0532
 29   0     0.8816     1.0000     0.1184     0.9818     0.9328     0.0490
 30   0     6.2076     6.0000    -0.2076     4.0188     3.7035     0.3153
 31   0     6.2095     6.0000    -0.2095     3.9823     3.6602     0.3221
 32   0     6.2477     6.0000    -0.2477     4.0150     3.6975     0.3175
 33   0     6.2649     6.0000    -0.2649     4.0047     3.6833     0.3214
 34   0     6.1977     6.0000    -0.1977     3.9996     3.6811     0.3185
 35   0     0.8853     1.0000     0.1147     0.9787     0.9292     0.0495
 36   0     0.8926     1.0000     0.1074     0.9772     0.9261     0.0511
 37   0     0.8873     1.0000     0.1127     0.9755     0.9243     0.0512
 38   0     0.8937     1.0000     0.1063     0.9772     0.9250     0.0522
 39   0     0.8858     1.0000     0.1142     0.9695     0.9185     0.0510
 40   0     0.8702     1.0000     0.1298     0.9585     0.9073     0.0512
 41   0     0.8829     1.0000     0.1171     0.9684     0.9172     0.0512
 42   0     0.8859     1.0000     0.1141     0.9721     0.9187     0.0534
 43   0     0.8814     1.0000     0.1186     0.9751     0.9247     0.0504
 44   0     0.8991     1.0000     0.1009     0.9750     0.9199     0.0551
 45   0     6.2159     6.0000    -0.2159     3.9732     3.6604     0.3128
 46   0     6.2283     6.0000    -0.2283     3.9784     3.6612     0.3172
 47   0     6.2294     6.0000    -0.2294     3.9617     3.6453     0.3164
 48   0     6.1870     6.0000    -0.1870     3.9925     3.6739     0.3186
 49   0     6.2207     6.0000    -0.2207     3.9868     3.6734     0.3134
 50   0     0.8982     1.0000     0.1018     0.9792     0.9280     0.0512
 51   0     0.8860     1.0000     0.1140     0.9746     0.9247     0.0499
 52   0     0.8992     1.0000     0.1008     0.9775     0.9266     0.0509
 53   0     0.8701     1.0000     0.1299     0.9754     0.9268     0.0486
 54   0     0.8921     1.0000     0.1079     0.9805     0.9283     0.0522
 55   0     0.8999     1.0000     0.1001     0.9882     0.9353     0.0529
 56   0     0.8938     1.0000     0.1062     0.9822     0.9311     0.0511
 57   0     0.8903     1.0000     0.1097     0.9803     0.9286     0.0517
 58   0     0.8968     1.0000     0.1032     0.9811     0.9301     0.0510
 59   0     0.8917     1.0000     0.1083     0.9783     0.9286     0.0497
 60   0     6.1710     6.0000    -0.1710     3.9865     3.6688     0.3177
 61   0     6.2158     6.0000    -0.2158     3.9760     3.6550     0.3210
 62   0     6.2231     6.0000    -0.2231     3.9829     3.6631     0.3198
 63   0     6.2074     6.0000    -0.2074     3.9894     3.6587     0.3307
 64   0     6.2427     6.0000    -0.2427     4.0121     3.6850     0.3271
 65   0     0.8864     1.0000     0.1136     0.9792     0.9276     0.0516
 66   0     0.9306     1.0000     0.0694     1.0126     0.9601     0.0525
 67   0     0.9339     1.0000     0.0661     0.9904     0.9339     0.0565
 68   0     0.8755     1.0000     0.1245     0.9743     0.9262     0.0481
 69   0     0.8860     1.0000     0.1140     0.9745     0.9245     0.0500
 70   0     0.8803     1.0000     0.1197     0.9758     0.9244     0.0514
 71   0     0.8989     1.0000     0.1011     0.9910     0.9381     0.0529
 72   0     0.8899     1.0000     0.1101     0.9812     0.9292     0.0520
 73   0     0.8935     1.0000     0.1065     0.9832     0.9310     0.0522
 74   0     0.8762     1.0000     0.1238     0.9725     0.9204     0.0521
 75   0     6.2348     6.0000    -0.2348     3.9950     3.6646     0.3304
 76   0     6.2495     6.0000    -0.2495     3.9863     3.6597     0.3266
 77   0     6.2154     6.0000    -0.2154     4.0000     3.6791     0.3209
 78   0     6.2328     6.0000    -0.2328     3.9802     3.6563     0.3239
 79   0     6.1842     6.0000    -0.1842     3.9837     3.6674     0.3163
 80   0     0.8805     1.0000     0.1195     0.9771     0.9280     0.0491
 81   0     0.9201     1.0000     0.0799     0.9958     0.9402     0.0556
 82   0     0.8830     1.0000     0.1170     0.9805     0.9281     0.0524
 83   0     0.8842     1.0000     0.1158     0.9790     0.9245     0.0545
 84   0     0.8858     1.0000     0.1142     0.9781     0.9274     0.0507
 85   0     0.8802     1.0000     0.1198     0.9771     0.9280     0.0491
 86   0     0.8902     1.0000     0.1098     0.9781     0.9277     0.0504
 87   0     0.8862     1.0000     0.1138     0.9774     0.9263     0.0511
 88   0     0.8954     1.0000     0.1046     0.9871     0.9349     0.0522
 89   0     0.8809     1.0000     0.1191     0.9816     0.9316     0.0500
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.920188
                0             6               4            6                0.921643
                0             6               5            1                0.937041
                0             6               6            1                0.937397
                1             6               2            6                0.907222
                1             6               7            1                0.941796
                1             6               8            1                0.942400
                2             6               3            6                0.906474
                2             6               9            1                0.922890
                2             6              10            1                0.933893
                3             6               4            6                0.920767
                3             6              11            1                0.930683
                3             6              12            1                0.936189
                4             6              13            1                0.938064
                4             6              14            1                0.934355
               15             6              16            6                0.914893
               15             6              19            6                0.895855
               15             6              20            1                0.940172
               15             6              21            1                0.940797
               16             6              17            6                0.895802
               16             6              22            1                0.933520
               16             6              23            1                0.934501
               17             6              18            6                0.919110
               17             6              24            1                0.943630
               17             6              25            1                0.935713
               18             6              19            6                0.932541
               18             6              26            1                0.943305
               18             6              27            1                0.927718
               19             6              28            1                0.936674
               19             6              29            1                0.939357
               30             6              31            6                0.918918
               30             6              34            6                0.936429
               30             6              35            1                0.939669
               30             6              36            1                0.934217
               31             6              32            6                0.908235
               31             6              37            1                0.936640
               31             6              38            1                0.944115
               32             6              33            6                0.932471
               32             6              39            1                0.939412
               32             6              40            1                0.930361
               33             6              34            6                0.921005
               33             6              41            1                0.942231
               33             6              42            1                0.927399
               34             6              43            1                0.935342
               34             6              44            1                0.929532
               45             6              46            6                0.917493
               45             6              49            6                0.909076
               45             6              50            1                0.943962
               45             6              51            1                0.943522
               46             6              47            6                0.898257
               46             6              52            1                0.946275
               46             6              53            1                0.931626
               47             6              48            6                0.915904
               47             6              54            1                0.938881
               47             6              55            1                0.936653
               48             6              49            6                0.924192
               48             6              56            1                0.935101
               48             6              57            1                0.936409
               49             6              58            1                0.940966
               49             6              59            1                0.940988
               60             6              61            6                0.919253
               60             6              64            6                0.917260
               60             6              65            1                0.922844
               60             6              66            1                0.939837
               61             6              62            6                0.907653
               61             6              67            1                0.930899
               61             6              68            1                0.934215
               62             6              63            6                0.919870
               62             6              69            1                0.944227
               62             6              70            1                0.928763
               63             6              64            6                0.914538
               63             6              71            1                0.937808
               63             6              72            1                0.928282
               64             6              73            1                0.945226
               64             6              74            1                0.927720
               75             6              76            6                0.909887
               75             6              79            6                0.918796
               75             6              80            1                0.926485
               75             6              81            1                0.943252
               76             6              77            6                0.923271
               76             6              82            1                0.935612
               76             6              83            1                0.926749
               77             6              78            6                0.907685
               77             6              84            1                0.941115
               77             6              85            1                0.935053
               78             6              79            6                0.922181
               78             6              86            1                0.936273
               78             6              87            1                0.928067
               79             6              88            1                0.937393
               79             6              89            1                0.927382
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2028811137
        Correlation Energy:       -5.0790643544
        Total MP2 Energy:      -1176.2819454680
# -----------------------------------------------------------
$ 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) :        0.2446833546
        Electronic Contribution:
                  0    
      0       0.112360
      1       0.009815
      2      -0.646875
        Nuclear Contribution:
                  0    
      0      -0.152634
      1      -0.032134
      2       0.562337
        Total Dipole moment:
                  0    
      0      -0.040274
      1      -0.022318
      2      -0.084538
# -----------------------------------------------------------
$ 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) :        0.2441196274
        Electronic Contribution:
                  0    
      0       0.112714
      1       0.009614
      2      -0.646737
        Nuclear Contribution:
                  0    
      0      -0.152634
      1      -0.032134
      2       0.562337
        Total Dipole moment:
                  0    
      0      -0.039920
      1      -0.022520
      2      -0.084400
# -----------------------------------------------------------
$ 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) :        0.1938978392
        Electronic Contribution:
                  0    
      0       0.122899
      1       0.005176
      2      -0.627209
        Nuclear Contribution:
                  0    
      0      -0.152634
      1      -0.032134
      2       0.562337
        Total Dipole moment:
                  0    
      0      -0.029736
      1      -0.026957
      2      -0.064871
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     15.750000000000   22.370000000000   21.990000000000
               1 C     16.700000000000   21.480000000000   22.920000000000
               2 C     18.160000000000   22.000000000000   22.720000000000
               3 C     18.100000000000   23.200000000000   21.760000000000
               4 C     16.710000000000   23.200000000000   21.150000000000
               5 H     15.120000000000   23.020000000000   22.610000000000
               6 H     15.090000000000   21.850000000000   21.290000000000
               7 H     16.510000000000   20.470000000000   22.760000000000
               8 H     16.520000000000   21.630000000000   23.960000000000
               9 H     18.660000000000   21.130000000000   22.200000000000
              10 H     18.620000000000   22.250000000000   23.690000000000
              11 H     18.840000000000   23.120000000000   21.000000000000
              12 H     18.290000000000   24.100000000000   22.350000000000
              13 H     16.660000000000   22.840000000000   20.110000000000
              14 H     16.550000000000   24.290000000000   21.070000000000
              15 C     19.600000000000   20.350000000000   19.550000000000
              16 C     18.960000000000   19.270000000000   20.320000000000
              17 C     19.130000000000   17.910000000000   19.530000000000
              18 C     20.190000000000   18.150000000000   18.430000000000
              19 C     20.380000000000   19.680000000000   18.350000000000
              20 H     20.400000000000   20.890000000000   20.140000000000
              21 H     18.930000000000   21.090000000000   19.250000000000
              22 H     17.860000000000   19.350000000000   20.500000000000
              23 H     19.470000000000   19.240000000000   21.330000000000
              24 H     18.170000000000   17.620000000000   19.100000000000
              25 H     19.360000000000   17.080000000000   20.210000000000
              26 H     19.800000000000   17.730000000000   17.520000000000
              27 H     21.100000000000   17.570000000000   18.770000000000
              28 H     19.850000000000   20.020000000000   17.420000000000
              29 H     21.380000000000   20.070000000000   18.400000000000
              30 C     23.640000000000   25.560000000000   22.430000000000
              31 C     22.310000000000   24.730000000000   22.260000000000
              32 C     22.320000000000   23.500000000000   23.160000000000
              33 C     23.580000000000   23.590000000000   23.960000000000
              34 C     24.200000000000   25.000000000000   23.750000000000
              35 H     23.430000000000   26.620000000000   22.470000000000
              36 H     24.280000000000   25.360000000000   21.560000000000
              37 H     22.150000000000   24.540000000000   21.190000000000
              38 H     21.470000000000   25.390000000000   22.500000000000
              39 H     22.390000000000   22.540000000000   22.630000000000
              40 H     21.350000000000   23.420000000000   23.680000000000
              41 H     24.300000000000   22.830000000000   23.710000000000
              42 H     23.580000000000   23.250000000000   25.020000000000
              43 H     25.290000000000   25.030000000000   23.820000000000
              44 H     23.870000000000   25.680000000000   24.610000000000
              45 C     20.930000000000   19.030000000000   26.490000000000
              46 C     20.470000000000   20.350000000000   25.790000000000
              47 C     21.530000000000   20.680000000000   24.750000000000
              48 C     22.480000000000   19.480000000000   24.640000000000
              49 C     22.080000000000   18.430000000000   25.750000000000
              50 H     20.090000000000   18.360000000000   26.450000000000
              51 H     21.180000000000   19.080000000000   27.540000000000
              52 H     20.590000000000   21.050000000000   26.580000000000
              53 H     19.430000000000   20.380000000000   25.500000000000
              54 H     21.980000000000   21.630000000000   25.070000000000
              55 H     21.100000000000   20.800000000000   23.750000000000
              56 H     23.490000000000   19.820000000000   24.880000000000
              57 H     22.330000000000   18.960000000000   23.670000000000
              58 H     22.870000000000   18.260000000000   26.480000000000
              59 H     21.810000000000   17.490000000000   25.300000000000
              60 C     18.430000000000   24.490000000000   25.110000000000
              61 C     19.660000000000   25.480000000000   25.060000000000
              62 C     19.090000000000   26.870000000000   25.220000000000
              63 C     17.700000000000   26.710000000000   25.950000000000
              64 C     17.400000000000   25.130000000000   26.020000000000
              65 H     18.810000000000   23.510000000000   25.470000000000
              66 H     18.050000000000   24.390000000000   24.110000000000
              67 H     20.100000000000   25.480000000000   24.050000000000
              68 H     20.490000000000   25.280000000000   25.680000000000
              69 H     18.900000000000   27.270000000000   24.240000000000
              70 H     19.820000000000   27.520000000000   25.770000000000
              71 H     16.860000000000   27.160000000000   25.380000000000
              72 H     17.880000000000   27.060000000000   26.990000000000
              73 H     16.380000000000   24.990000000000   25.660000000000
              74 H     17.330000000000   24.820000000000   27.100000000000
              75 C     15.680000000000   27.300000000000   22.710000000000
              76 C     14.410000000000   26.400000000000   23.000000000000
              77 C     13.220000000000   27.370000000000   23.160000000000
              78 C     13.760000000000   28.840000000000   22.860000000000
              79 C     15.270000000000   28.730000000000   23.170000000000
              80 H     16.020000000000   27.230000000000   21.690000000000
              81 H     16.550000000000   27.030000000000   23.370000000000
              82 H     14.640000000000   25.750000000000   23.880000000000
              83 H     14.370000000000   25.740000000000   22.070000000000
              84 H     12.870000000000   27.320000000000   24.200000000000
              85 H     12.400000000000   27.280000000000   22.480000000000
              86 H     13.130000000000   29.330000000000   23.560000000000
              87 H     13.540000000000   29.250000000000   21.850000000000
              88 H     15.410000000000   28.670000000000   24.260000000000
              89 H     15.780000000000   29.590000000000   22.720000000000
