-------------------------------------------------------------
----------------------- !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:    -1171.2027330797
# -----------------------------------------------------------
$ 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     6.1649     6.0000    -0.1649     3.8802     3.8802     0.0000
  1   0     6.1586     6.0000    -0.1586     3.8843     3.8843     0.0000
  2   0     6.1697     6.0000    -0.1697     3.8883     3.8883    -0.0000
  3   0     6.1843     6.0000    -0.1843     3.9050     3.9050    -0.0000
  4   0     6.1607     6.0000    -0.1607     3.8890     3.8890     0.0000
  5   0     0.9268     1.0000     0.0732     0.9788     0.9788     0.0000
  6   0     0.9031     1.0000     0.0969     0.9722     0.9722     0.0000
  7   0     0.9208     1.0000     0.0792     0.9820     0.9820     0.0000
  8   0     0.9319     1.0000     0.0681     0.9745     0.9745     0.0000
  9   0     0.9072     1.0000     0.0928     0.9694     0.9694    -0.0000
 10   0     0.9243     1.0000     0.0757     0.9690     0.9690    -0.0000
 11   0     0.8973     1.0000     0.1027     0.9756     0.9756    -0.0000
 12   0     0.9222     1.0000     0.0778     0.9722     0.9722     0.0000
 13   0     0.9122     1.0000     0.0878     0.9744     0.9744     0.0000
 14   0     0.9142     1.0000     0.0858     0.9741     0.9741    -0.0000
 15   0     6.1478     6.0000    -0.1478     3.9318     3.9318    -0.0000
 16   0     6.1771     6.0000    -0.1771     3.8996     3.8996    -0.0000
 17   0     6.2047     6.0000    -0.2047     3.8957     3.8957    -0.0000
 18   0     6.1389     6.0000    -0.1389     3.8677     3.8677    -0.0000
 19   0     6.1891     6.0000    -0.1891     3.9071     3.9071    -0.0000
 20   0     0.9057     1.0000     0.0943     0.9805     0.9805    -0.0000
 21   0     0.9151     1.0000     0.0849     0.9766     0.9766    -0.0000
 22   0     0.9155     1.0000     0.0845     0.9746     0.9746     0.0000
 23   0     0.8973     1.0000     0.1027     0.9734     0.9734    -0.0000
 24   0     0.8778     1.0000     0.1222     0.9646     0.9646     0.0000
 25   0     0.9302     1.0000     0.0698     0.9793     0.9793    -0.0000
 26   0     0.9195     1.0000     0.0805     0.9848     0.9848    -0.0000
 27   0     0.9422     1.0000     0.0578     0.9773     0.9773    -0.0000
 28   0     0.9164     1.0000     0.0836     0.9729     0.9729    -0.0000
 29   0     0.9192     1.0000     0.0808     0.9841     0.9841     0.0000
 30   0     6.1362     6.0000    -0.1362     3.8814     3.8814     0.0000
 31   0     6.1112     6.0000    -0.1112     3.8919     3.8919     0.0000
 32   0     6.1563     6.0000    -0.1563     3.8966     3.8966     0.0000
 33   0     6.1618     6.0000    -0.1618     3.8966     3.8966    -0.0000
 34   0     6.1859     6.0000    -0.1859     3.9026     3.9026     0.0000
 35   0     0.9316     1.0000     0.0684     0.9890     0.9890    -0.0000
 36   0     0.9209     1.0000     0.0791     0.9780     0.9780     0.0000
 37   0     0.9176     1.0000     0.0824     0.9839     0.9839     0.0000
 38   0     0.9660     1.0000     0.0340     1.0092     1.0092     0.0000
 39   0     0.9254     1.0000     0.0746     0.9749     0.9749     0.0000
 40   0     0.9118     1.0000     0.0882     0.9759     0.9759    -0.0000
 41   0     0.9308     1.0000     0.0692     0.9791     0.9791     0.0000
 42   0     0.9137     1.0000     0.0863     0.9738     0.9738    -0.0000
 43   0     0.9232     1.0000     0.0768     0.9737     0.9737    -0.0000
 44   0     0.9146     1.0000     0.0854     0.9793     0.9793    -0.0000
 45   0     6.1587     6.0000    -0.1587     3.8766     3.8766     0.0000
 46   0     6.1749     6.0000    -0.1749     3.8428     3.8428    -0.0000
 47   0     6.1776     6.0000    -0.1776     3.9180     3.9180    -0.0000
 48   0     6.1494     6.0000    -0.1494     3.8809     3.8809     0.0000
 49   0     6.1813     6.0000    -0.1813     3.9000     3.9000     0.0000
 50   0     0.9284     1.0000     0.0716     0.9803     0.9803    -0.0000
 51   0     0.9137     1.0000     0.0863     0.9779     0.9779     0.0000
 52   0     0.9166     1.0000     0.0834     0.9695     0.9695    -0.0000
 53   0     0.9237     1.0000     0.0763     0.9788     0.9788    -0.0000
 54   0     0.9097     1.0000     0.0903     0.9765     0.9765    -0.0000
 55   0     0.9068     1.0000     0.0932     0.9754     0.9754    -0.0000
 56   0     0.9195     1.0000     0.0805     0.9750     0.9750     0.0000
 57   0     0.9099     1.0000     0.0901     0.9737     0.9737     0.0000
 58   0     0.9191     1.0000     0.0809     0.9737     0.9737    -0.0000
 59   0     0.9093     1.0000     0.0907     0.9753     0.9753    -0.0000
 60   0     6.1643     6.0000    -0.1643     3.8983     3.8983     0.0000
 61   0     6.1604     6.0000    -0.1604     3.8665     3.8665     0.0000
 62   0     6.1638     6.0000    -0.1638     3.9290     3.9290     0.0000
 63   0     6.1889     6.0000    -0.1889     3.9073     3.9073     0.0000
 64   0     6.1259     6.0000    -0.1259     3.8802     3.8802     0.0000
 65   0     0.9879     1.0000     0.0121     1.0059     1.0059     0.0000
 66   0     0.9213     1.0000     0.0787     0.9883     0.9883     0.0000
 67   0     0.9204     1.0000     0.0796     0.9761     0.9761     0.0000
 68   0     0.9172     1.0000     0.0828     0.9688     0.9688     0.0000
 69   0     0.9225     1.0000     0.0775     0.9784     0.9784    -0.0000
 70   0     0.8917     1.0000     0.1083     0.9759     0.9759    -0.0000
 71   0     0.9040     1.0000     0.0960     0.9713     0.9713    -0.0000
 72   0     0.9175     1.0000     0.0825     0.9714     0.9714     0.0000
 73   0     0.9271     1.0000     0.0729     0.9747     0.9747     0.0000
 74   0     0.8928     1.0000     0.1072     0.9721     0.9721    -0.0000
 75   0     6.1246     6.0000    -0.1246     3.8481     3.8481    -0.0000
 76   0     6.1825     6.0000    -0.1825     3.9094     3.9094    -0.0000
 77   0     6.1624     6.0000    -0.1624     3.8915     3.8915    -0.0000
 78   0     6.1593     6.0000    -0.1593     3.8995     3.8995    -0.0000
 79   0     6.1880     6.0000    -0.1880     3.8518     3.8518    -0.0000
 80   0     0.9372     1.0000     0.0628     0.9897     0.9897    -0.0000
 81   0     0.9214     1.0000     0.0786     0.9735     0.9735    -0.0000
 82   0     0.9026     1.0000     0.0974     0.9765     0.9765    -0.0000
 83   0     0.9233     1.0000     0.0767     0.9709     0.9709    -0.0000
 84   0     0.9113     1.0000     0.0887     0.9749     0.9749     0.0000
 85   0     0.9174     1.0000     0.0826     0.9737     0.9737     0.0000
 86   0     0.9056     1.0000     0.0944     0.9745     0.9745    -0.0000
 87   0     0.9154     1.0000     0.0846     0.9742     0.9742    -0.0000
 88   0     0.9213     1.0000     0.0787     0.9743     0.9743    -0.0000
 89   0     0.9219     1.0000     0.0781     0.9720     0.9720    -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                0.961469
                0             6               4            6                0.964344
                0             6               5            1                1.004356
                0             6               6            1                0.983807
                1             6               2            6                0.966419
                1             6               7            1                0.991109
                1             6               8            1                0.999937
                2             6               3            6                0.972040
                2             6               9            1                0.987288
                2             6              10            1                0.998206
                3             6               4            6                0.972733
                3             6              11            1                0.985083
                3             6              12            1                1.000290
                4             6              13            1                0.990044
                4             6              14            1                0.994385
               15             6              16            6                0.985995
               15             6              19            6                0.971143
               15             6              20            1                0.997339
               15             6              21            1                0.993219
               16             6              17            6                0.966501
               16             6              22            1                1.001124
               16             6              23            1                0.988529
               17             6              18            6                0.971802
               17             6              24            1                0.984864
               17             6              25            1                0.998824
               18             6              19            6                0.972860
               18             6              26            1                0.986275
               18             6              27            1                1.001277
               19             6              28            1                0.993904
               19             6              29            1                0.995225
               30             6              31            6                0.971688
               30             6              34            6                0.957478
               30             6              35            1                0.995046
               30             6              36            1                0.989729
               31             6              32            6                0.965213
               31             6              37            1                0.994288
               31             6              38            1                1.001628
               32             6              33            6                0.971310
               32             6              39            1                1.001124
               32             6              40            1                0.985103
               33             6              34            6                0.979215
               33             6              41            1                0.993187
               33             6              42            1                0.984700
               34             6              43            1                0.995845
               34             6              44            1                0.991867
               45             6              46            6                0.948732
               45             6              49            6                0.977580
               45             6              50            1                0.990029
               45             6              51            1                0.993720
               46             6              47            6                0.961996
               46             6              52            1                0.990686
               46             6              53            1                0.997968
               47             6              48            6                0.975799
               47             6              54            1                0.992261
               47             6              55            1                0.989041
               48             6              49            6                0.972327
               48             6              56            1                0.992267
               48             6              57            1                0.981463
               49             6              58            1                0.994751
               49             6              59            1                0.983230
               60             6              61            6                0.963024
               60             6              64            6                0.956629
               60             6              65            1                1.023295
               60             6              66            1                0.993685
               61             6              62            6                0.976347
               61             6              67            1                0.995125
               61             6              68            1                0.984867
               62             6              63            6                0.978581
               62             6              69            1                0.994687
               62             6              70            1                0.987740
               63             6              64            6                0.981306
               63             6              71            1                0.992115
               63             6              72            1                0.994123
               64             6              73            1                0.991302
               64             6              74            1                0.984135
               75             6              76            6                0.971492
               75             6              79            6                0.952006
               75             6              80            1                0.999004
               75             6              81            1                0.988793
               76             6              77            6                0.976260
               76             6              82            1                0.988092
               76             6              83            1                0.992652
               77             6              78            6                0.983771
               77             6              84            1                0.985852
               77             6              85            1                0.994069
               78             6              79            6                0.959111
               78             6              86            1                0.986615
               78             6              87            1                0.995035
               79             6              88            1                0.992107
               79             6              89            1                0.993720
# -----------------------------------------------------------
$ 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     6.1722     6.0000    -0.1722     3.9900     3.6706     0.3194
  1   0     6.1657     6.0000    -0.1657     3.9928     3.6744     0.3184
  2   0     6.1784     6.0000    -0.1784     4.0000     3.6738     0.3262
  3   0     6.1908     6.0000    -0.1908     4.0135     3.6898     0.3237
  4   0     6.1690     6.0000    -0.1690     4.0003     3.6733     0.3270
  5   0     0.9232     1.0000     0.0768     0.9889     0.9363     0.0526
  6   0     0.8991     1.0000     0.1009     0.9809     0.9301     0.0508
  7   0     0.9169     1.0000     0.0831     0.9916     0.9396     0.0520
  8   0     0.9281     1.0000     0.0719     0.9845     0.9308     0.0537
  9   0     0.9035     1.0000     0.0965     0.9786     0.9252     0.0534
 10   0     0.9203     1.0000     0.0797     0.9785     0.9226     0.0559
 11   0     0.8936     1.0000     0.1064     0.9845     0.9342     0.0503
 12   0     0.9185     1.0000     0.0815     0.9821     0.9281     0.0540
 13   0     0.9085     1.0000     0.0915     0.9840     0.9325     0.0515
 14   0     0.9103     1.0000     0.0897     0.9832     0.9315     0.0517
 15   0     6.1559     6.0000    -0.1559     4.0418     3.7133     0.3285
 16   0     6.1853     6.0000    -0.1853     4.0137     3.6816     0.3321
 17   0     6.2122     6.0000    -0.2122     4.0116     3.6768     0.3348
 18   0     6.1462     6.0000    -0.1462     3.9792     3.6485     0.3307
 19   0     6.1969     6.0000    -0.1969     4.0212     3.6874     0.3338
 20   0     0.9022     1.0000     0.0978     0.9898     0.9386     0.0512
 21   0     0.9112     1.0000     0.0888     0.9856     0.9328     0.0528
 22   0     0.9117     1.0000     0.0883     0.9841     0.9305     0.0536
 23   0     0.8933     1.0000     0.1067     0.9818     0.9324     0.0494
 24   0     0.8739     1.0000     0.1261     0.9726     0.9226     0.0500
 25   0     0.9262     1.0000     0.0738     0.9891     0.9365     0.0526
 26   0     0.9155     1.0000     0.0845     0.9942     0.9431     0.0511
 27   0     0.9383     1.0000     0.0617     0.9880     0.9294     0.0586
 28   0     0.9123     1.0000     0.0877     0.9822     0.9278     0.0544
 29   0     0.9154     1.0000     0.0846     0.9938     0.9420     0.0518
 30   0     6.1430     6.0000    -0.1430     3.9874     3.6700     0.3174
 31   0     6.1188     6.0000    -0.1188     3.9980     3.6750     0.3230
 32   0     6.1640     6.0000    -0.1640     4.0041     3.6888     0.3153
 33   0     6.1696     6.0000    -0.1696     4.0059     3.6841     0.3218
 34   0     6.1935     6.0000    -0.1935     4.0121     3.6904     0.3217
 35   0     0.9287     1.0000     0.0713     1.0004     0.9493     0.0511
 36   0     0.9169     1.0000     0.0831     0.9875     0.9368     0.0507
 37   0     0.9134     1.0000     0.0866     0.9928     0.9439     0.0489
 38   0     0.9630     1.0000     0.0370     1.0211     0.9626     0.0585
 39   0     0.9215     1.0000     0.0785     0.9847     0.9341     0.0506
 40   0     0.9079     1.0000     0.0921     0.9850     0.9348     0.0502
 41   0     0.9268     1.0000     0.0732     0.9889     0.9357     0.0532
 42   0     0.9100     1.0000     0.0900     0.9833     0.9310     0.0523
 43   0     0.9193     1.0000     0.0807     0.9834     0.9307     0.0527
 44   0     0.9108     1.0000     0.0892     0.9885     0.9378     0.0507
 45   0     6.1661     6.0000    -0.1661     3.9867     3.6590     0.3277
 46   0     6.1829     6.0000    -0.1829     3.9562     3.6308     0.3254
 47   0     6.1856     6.0000    -0.1856     4.0287     3.7029     0.3258
 48   0     6.1571     6.0000    -0.1571     3.9902     3.6685     0.3217
 49   0     6.1890     6.0000    -0.1890     4.0109     3.6820     0.3289
 50   0     0.9249     1.0000     0.0751     0.9908     0.9376     0.0532
 51   0     0.9097     1.0000     0.0903     0.9870     0.9362     0.0508
 52   0     0.9126     1.0000     0.0874     0.9791     0.9224     0.0567
 53   0     0.9198     1.0000     0.0802     0.9883     0.9369     0.0514
 54   0     0.9057     1.0000     0.0943     0.9856     0.9342     0.0514
 55   0     0.9030     1.0000     0.0970     0.9844     0.9326     0.0518
 56   0     0.9153     1.0000     0.0847     0.9843     0.9322     0.0521
 57   0     0.9062     1.0000     0.0938     0.9831     0.9292     0.0539
 58   0     0.9152     1.0000     0.0848     0.9833     0.9295     0.0538
 59   0     0.9055     1.0000     0.0945     0.9845     0.9316     0.0529
 60   0     6.1742     6.0000    -0.1742     4.0169     3.6763     0.3406
 61   0     6.1671     6.0000    -0.1671     3.9773     3.6530     0.3243
 62   0     6.1717     6.0000    -0.1717     4.0389     3.7114     0.3275
 63   0     6.1966     6.0000    -0.1966     4.0203     3.6940     0.3263
 64   0     6.1342     6.0000    -0.1342     3.9896     3.6637     0.3259
 65   0     0.9832     1.0000     0.0168     1.0162     0.9604     0.0558
 66   0     0.9166     1.0000     0.0834     0.9966     0.9456     0.0510
 67   0     0.9161     1.0000     0.0839     0.9854     0.9362     0.0492
 68   0     0.9136     1.0000     0.0864     0.9792     0.9255     0.0537
 69   0     0.9187     1.0000     0.0813     0.9881     0.9347     0.0534
 70   0     0.8879     1.0000     0.1121     0.9843     0.9365     0.0478
 71   0     0.8999     1.0000     0.1001     0.9802     0.9274     0.0528
 72   0     0.9137     1.0000     0.0863     0.9812     0.9287     0.0525
 73   0     0.9231     1.0000     0.0769     0.9847     0.9304     0.0543
 74   0     0.8889     1.0000     0.1111     0.9805     0.9288     0.0517
 75   0     6.1330     6.0000    -0.1330     3.9580     3.6353     0.3227
 76   0     6.1899     6.0000    -0.1899     4.0182     3.6950     0.3232
 77   0     6.1698     6.0000    -0.1698     4.0003     3.6748     0.3255
 78   0     6.1671     6.0000    -0.1671     4.0095     3.6821     0.3274
 79   0     6.1952     6.0000    -0.1952     3.9632     3.6420     0.3212
 80   0     0.9332     1.0000     0.0668     0.9999     0.9462     0.0537
 81   0     0.9173     1.0000     0.0827     0.9829     0.9289     0.0540
 82   0     0.8989     1.0000     0.1011     0.9854     0.9329     0.0525
 83   0     0.9195     1.0000     0.0805     0.9804     0.9241     0.0563
 84   0     0.9077     1.0000     0.0923     0.9843     0.9314     0.0529
 85   0     0.9136     1.0000     0.0864     0.9831     0.9279     0.0552
 86   0     0.9019     1.0000     0.0981     0.9835     0.9291     0.0544
 87   0     0.9116     1.0000     0.0884     0.9836     0.9304     0.0532
 88   0     0.9172     1.0000     0.0828     0.9836     0.9307     0.0529
 89   0     0.9183     1.0000     0.0817     0.9824     0.9291     0.0533
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.900722
                0             6               4            6                0.901031
                0             6               5            1                0.962613
                0             6               6            1                0.943259
                1             6               2            6                0.904575
                1             6               7            1                0.950039
                1             6               8            1                0.957029
                2             6               3            6                0.910328
                2             6               9            1                0.944698
                2             6              10            1                0.952896
                3             6               4            6                0.905628
                3             6              11            1                0.945363
                3             6              12            1                0.957079
                4             6              13            1                0.949371
                4             6              14            1                0.952992
               15             6              16            6                0.921599
               15             6              19            6                0.904068
               15             6              20            1                0.956647
               15             6              21            1                0.950478
               16             6              17            6                0.898238
               16             6              22            1                0.957916
               16             6              23            1                0.948900
               17             6              18            6                0.906611
               17             6              24            1                0.944209
               17             6              25            1                0.956721
               18             6              19            6                0.908409
               18             6              26            1                0.945653
               18             6              27            1                0.953996
               19             6              28            1                0.949738
               19             6              29            1                0.954103
               30             6              31            6                0.905187
               30             6              34            6                0.894650
               30             6              35            1                0.956372
               30             6              36            1                0.949737
               31             6              32            6                0.901988
               31             6              37            1                0.955638
               31             6              38            1                0.956266
               32             6              33            6                0.909399
               32             6              39            1                0.961328
               32             6              40            1                0.945665
               33             6              34            6                0.915233
               33             6              41            1                0.951175
               33             6              42            1                0.943463
               34             6              43            1                0.954010
               34             6              44            1                0.951847
               45             6              46            6                0.887188
               45             6              49            6                0.907028
               45             6              50            1                0.948773
               45             6              51            1                0.953256
               46             6              47            6                0.900259
               46             6              52            1                0.944912
               46             6              53            1                0.957362
               47             6              48            6                0.910211
               47             6              54            1                0.951152
               47             6              55            1                0.947562
               48             6              49            6                0.913294
               48             6              56            1                0.950789
               48             6              57            1                0.938623
               49             6              58            1                0.951863
               49             6              59            1                0.941144
               60             6              61            6                0.899452
               60             6              64            6                0.888246
               60             6              65            1                0.977826
               60             6              66            1                0.952232
               61             6              62            6                0.909928
               61             6              67            1                0.956200
               61             6              68            1                0.942496
               62             6              63            6                0.912080
               62             6              69            1                0.952201
               62             6              70            1                0.949825
               63             6              64            6                0.921355
               63             6              71            1                0.949895
               63             6              72            1                0.952671
               64             6              73            1                0.948300
               64             6              74            1                0.942414
               75             6              76            6                0.908936
               75             6              79            6                0.890368
               75             6              80            1                0.956375
               75             6              81            1                0.945347
               76             6              77            6                0.915422
               76             6              82            1                0.946102
               76             6              83            1                0.947134
               77             6              78            6                0.917396
               77             6              84            1                0.944006
               77             6              85            1                0.949515
               78             6              79            6                0.898093
               78             6              86            1                0.942997
               78             6              87            1                0.952315
               79             6              88            1                0.949623
               79             6              89            1                0.951786
# -----------------------------------------------------------
$ 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     6.2262     6.0000    -0.2262     3.9826     3.6674     0.3152
  1   0     6.2177     6.0000    -0.2177     3.9773     3.6631     0.3142
  2   0     6.2282     6.0000    -0.2282     3.9843     3.6625     0.3218
  3   0     6.2360     6.0000    -0.2360     3.9966     3.6769     0.3197
  4   0     6.2190     6.0000    -0.2190     3.9857     3.6626     0.3231
  5   0     0.8931     1.0000     0.1069     0.9799     0.9286     0.0513
  6   0     0.8765     1.0000     0.1235     0.9742     0.9245     0.0497
  7   0     0.8902     1.0000     0.1098     0.9832     0.9324     0.0508
  8   0     0.9013     1.0000     0.0987     0.9790     0.9265     0.0525
  9   0     0.8803     1.0000     0.1197     0.9718     0.9194     0.0524
 10   0     0.8930     1.0000     0.1070     0.9697     0.9149     0.0548
 11   0     0.8725     1.0000     0.1275     0.9767     0.9274     0.0493
 12   0     0.8923     1.0000     0.1077     0.9727     0.9198     0.0529
 13   0     0.8859     1.0000     0.1141     0.9758     0.9253     0.0505
 14   0     0.8860     1.0000     0.1140     0.9752     0.9246     0.0506
 15   0     6.2131     6.0000    -0.2131     4.0334     3.7090     0.3244
 16   0     6.2409     6.0000    -0.2409     4.0077     3.6798     0.3279
 17   0     6.2472     6.0000    -0.2472     3.9881     3.6580     0.3301
 18   0     6.2082     6.0000    -0.2082     3.9753     3.6494     0.3259
 19   0     6.2410     6.0000    -0.2410     4.0105     3.6816     0.3289
 20   0     0.8818     1.0000     0.1182     0.9845     0.9344     0.0501
 21   0     0.8870     1.0000     0.1130     0.9761     0.9243     0.0518
 22   0     0.8857     1.0000     0.1143     0.9730     0.9205     0.0525
 23   0     0.8696     1.0000     0.1304     0.9731     0.9247     0.0484
 24   0     0.8541     1.0000     0.1459     0.9677     0.9189     0.0488
 25   0     0.8974     1.0000     0.1026     0.9781     0.9268     0.0513
 26   0     0.8864     1.0000     0.1136     0.9845     0.9347     0.0498
 27   0     0.9105     1.0000     0.0895     0.9830     0.9260     0.0570
 28   0     0.8876     1.0000     0.1124     0.9751     0.9220     0.0531
 29   0     0.8903     1.0000     0.1097     0.9858     0.9353     0.0505
 30   0     6.2038     6.0000    -0.2038     3.9767     3.6632     0.3135
 31   0     6.1810     6.0000    -0.1810     3.9795     3.6603     0.3192
 32   0     6.2142     6.0000    -0.2142     3.9862     3.6750     0.3112
 33   0     6.2159     6.0000    -0.2159     3.9804     3.6627     0.3177
 34   0     6.2367     6.0000    -0.2367     3.9893     3.6717     0.3176
 35   0     0.8987     1.0000     0.1013     0.9926     0.9427     0.0499
 36   0     0.8911     1.0000     0.1089     0.9790     0.9294     0.0496
 37   0     0.8906     1.0000     0.1094     0.9842     0.9363     0.0479
 38   0     0.9223     1.0000     0.0777     1.0130     0.9561     0.0569
 39   0     0.8960     1.0000     0.1040     0.9762     0.9266     0.0496
 40   0     0.8846     1.0000     0.1154     0.9779     0.9288     0.0491
 41   0     0.8989     1.0000     0.1011     0.9796     0.9276     0.0520
 42   0     0.8878     1.0000     0.1122     0.9778     0.9265     0.0513
 43   0     0.8950     1.0000     0.1050     0.9757     0.9239     0.0518
 44   0     0.8868     1.0000     0.1132     0.9812     0.9316     0.0496
 45   0     6.2158     6.0000    -0.2158     3.9654     3.6418     0.3236
 46   0     6.2293     6.0000    -0.2293     3.9520     3.6316     0.3204
 47   0     6.2308     6.0000    -0.2308     4.0078     3.6861     0.3217
 48   0     6.2096     6.0000    -0.2096     3.9826     3.6653     0.3173
 49   0     6.2299     6.0000    -0.2299     3.9876     3.6632     0.3244
 50   0     0.8988     1.0000     0.1012     0.9873     0.9353     0.0520
 51   0     0.8866     1.0000     0.1134     0.9788     0.9291     0.0497
 52   0     0.8904     1.0000     0.1096     0.9716     0.9159     0.0557
 53   0     0.8907     1.0000     0.1093     0.9821     0.9320     0.0501
 54   0     0.8840     1.0000     0.1160     0.9763     0.9259     0.0504
 55   0     0.8818     1.0000     0.1182     0.9806     0.9299     0.0507
 56   0     0.8907     1.0000     0.1093     0.9755     0.9245     0.0510
 57   0     0.8829     1.0000     0.1171     0.9773     0.9245     0.0528
 58   0     0.8925     1.0000     0.1075     0.9759     0.9230     0.0529
 59   0     0.8831     1.0000     0.1169     0.9773     0.9255     0.0518
 60   0     6.2417     6.0000    -0.2417     4.0089     3.6729     0.3360
 61   0     6.2126     6.0000    -0.2126     3.9747     3.6550     0.3197
 62   0     6.2171     6.0000    -0.2171     4.0246     3.7011     0.3235
 63   0     6.2445     6.0000    -0.2445     4.0114     3.6895     0.3219
 64   0     6.1814     6.0000    -0.1814     3.9804     3.6589     0.3215
 65   0     0.9350     1.0000     0.0650     1.0028     0.9489     0.0539
 66   0     0.8883     1.0000     0.1117     0.9858     0.9361     0.0497
 67   0     0.8907     1.0000     0.1093     0.9774     0.9294     0.0480
 68   0     0.8939     1.0000     0.1061     0.9791     0.9266     0.0525
 69   0     0.8940     1.0000     0.1060     0.9782     0.9258     0.0524
 70   0     0.8687     1.0000     0.1313     0.9784     0.9316     0.0468
 71   0     0.8776     1.0000     0.1224     0.9706     0.9188     0.0518
 72   0     0.8885     1.0000     0.1115     0.9741     0.9227     0.0514
 73   0     0.9001     1.0000     0.0999     0.9756     0.9223     0.0533
 74   0     0.8685     1.0000     0.1315     0.9741     0.9235     0.0506
 75   0     6.1990     6.0000    -0.1990     3.9467     3.6283     0.3184
 76   0     6.2264     6.0000    -0.2264     4.0034     3.6850     0.3184
 77   0     6.2234     6.0000    -0.2234     3.9941     3.6728     0.3213
 78   0     6.2128     6.0000    -0.2128     4.0008     3.6779     0.3229
 79   0     6.2492     6.0000    -0.2492     3.9583     3.6416     0.3167
 80   0     0.8998     1.0000     0.1002     0.9885     0.9362     0.0523
 81   0     0.8920     1.0000     0.1080     0.9750     0.9222     0.0528
 82   0     0.8780     1.0000     0.1220     0.9780     0.9265     0.0515
 83   0     0.8954     1.0000     0.1046     0.9733     0.9180     0.0553
 84   0     0.8849     1.0000     0.1151     0.9764     0.9245     0.0519
 85   0     0.8885     1.0000     0.1115     0.9740     0.9199     0.0541
 86   0     0.8808     1.0000     0.1192     0.9760     0.9226     0.0534
 87   0     0.8881     1.0000     0.1119     0.9756     0.9234     0.0522
 88   0     0.8891     1.0000     0.1109     0.9737     0.9220     0.0517
 89   0     0.8910     1.0000     0.1090     0.9774     0.9255     0.0519
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.908703
                0             6               4            6                0.911520
                0             6               5            1                0.951461
                0             6               6            1                0.930151
                1             6               2            6                0.915562
                1             6               7            1                0.935928
                1             6               8            1                0.944691
                2             6               3            6                0.919995
                2             6               9            1                0.929396
                2             6              10            1                0.937639
                3             6               4            6                0.911201
                3             6              11            1                0.933094
                3             6              12            1                0.943794
                4             6              13            1                0.935644
                4             6              14            1                0.941193
               15             6              16            6                0.931982
               15             6              19            6                0.912653
               15             6              20            1                0.939524
               15             6              21            1                0.936809
               16             6              17            6                0.903143
               16             6              22            1                0.940179
               16             6              23            1                0.937186
               17             6              18            6                0.915096
               17             6              24            1                0.929207
               17             6              25            1                0.943752
               18             6              19            6                0.920352
               18             6              26            1                0.934786
               18             6              27            1                0.936068
               19             6              28            1                0.935041
               19             6              29            1                0.940395
               30             6              31            6                0.909985
               30             6              34            6                0.903864
               30             6              35            1                0.947643
               30             6              36            1                0.939278
               31             6              32            6                0.909815
               31             6              37            1                0.943068
               31             6              38            1                0.940545
               32             6              33            6                0.917131
               32             6              39            1                0.948371
               32             6              40            1                0.933109
               33             6              34            6                0.920661
               33             6              41            1                0.938099
               33             6              42            1                0.930778
               34             6              43            1                0.939848
               34             6              44            1                0.940074
               45             6              46            6                0.900470
               45             6              49            6                0.903162
               45             6              50            1                0.937652
               45             6              51            1                0.941790
               46             6              47            6                0.912682
               46             6              52            1                0.927890
               46             6              53            1                0.947133
               47             6              48            6                0.914603
               47             6              54            1                0.935939
               47             6              55            1                0.935331
               48             6              49            6                0.930088
               48             6              56            1                0.937704
               48             6              57            1                0.925695
               49             6              58            1                0.938105
               49             6              59            1                0.928785
               60             6              61            6                0.910447
               60             6              64            6                0.896172
               60             6              65            1                0.964815
               60             6              66            1                0.932832
               61             6              62            6                0.918517
               61             6              67            1                0.946127
               61             6              68            1                0.930227
               62             6              63            6                0.919405
               62             6              69            1                0.937515
               62             6              70            1                0.937579
               63             6              64            6                0.940140
               63             6              71            1                0.931081
               63             6              72            1                0.938339
               64             6              73            1                0.931728
               64             6              74            1                0.926503
               75             6              76            6                0.919183
               75             6              79            6                0.895643
               75             6              80            1                0.941697
               75             6              81            1                0.933468
               76             6              77            6                0.929979
               76             6              82            1                0.929851
               76             6              83            1                0.932466
               77             6              78            6                0.928554
               77             6              84            1                0.929432
               77             6              85            1                0.934369
               78             6              79            6                0.912313
               78             6              86            1                0.925551
               78             6              87            1                0.940170
               79             6              88            1                0.932761
               79             6              89            1                0.941441
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2027330797
        Correlation Energy:       -5.0753379631
        Total MP2 Energy:      -1176.2780710428
# -----------------------------------------------------------
$ 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) :        0.2255401993
        Electronic Contribution:
                  0    
      0       0.436654
      1       0.614184
      2      -0.071953
        Nuclear Contribution:
                  0    
      0      -0.433803
      1      -0.562337
      2      -0.000000
        Total Dipole moment:
                  0    
      0       0.002850
      1       0.051846
      2      -0.071953
# -----------------------------------------------------------
$ 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) :        0.2227922477
        Electronic Contribution:
                  0    
      0       0.435269
      1       0.613175
      2      -0.071388
        Nuclear Contribution:
                  0    
      0      -0.433803
      1      -0.562337
      2      -0.000000
        Total Dipole moment:
                  0    
      0       0.001466
      1       0.050837
      2      -0.071388
# -----------------------------------------------------------
$ 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) :        0.2091689312
        Electronic Contribution:
                  0    
      0       0.406185
      1       0.599199
      2      -0.068194
        Nuclear Contribution:
                  0    
      0      -0.433803
      1      -0.562337
      2      -0.000000
        Total Dipole moment:
                  0    
      0      -0.027618
      1       0.036862
      2      -0.068194
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     15.170000000000   17.580000000000   19.830000000000
               1 C     16.010000000000   16.330000000000   20.040000000000
               2 C     15.510000000000   15.570000000000   21.280000000000
               3 C     14.190000000000   16.190000000000   21.730000000000
               4 C     14.050000000000   17.570000000000   20.910000000000
               5 H     14.680000000000   17.540000000000   18.880000000000
               6 H     15.670000000000   18.550000000000   19.810000000000
               7 H     17.080000000000   16.520000000000   20.090000000000
               8 H     15.900000000000   15.730000000000   19.140000000000
               9 H     16.330000000000   15.440000000000   22.040000000000
              10 H     15.300000000000   14.490000000000   20.980000000000
              11 H     14.030000000000   16.140000000000   22.800000000000
              12 H     13.400000000000   15.530000000000   21.340000000000
              13 H     14.130000000000   18.380000000000   21.630000000000
              14 H     13.060000000000   17.670000000000   20.460000000000
              15 C     16.830000000000   15.860000000000   13.990000000000
              16 C     17.770000000000   16.670000000000   14.960000000000
              17 C     16.950000000000   16.950000000000   16.330000000000
              18 C     15.460000000000   16.550000000000   16.040000000000
              19 C     15.430000000000   15.670000000000   14.760000000000
              20 H     17.210000000000   14.910000000000   13.650000000000
              21 H     16.640000000000   16.490000000000   13.100000000000
              22 H     17.940000000000   17.660000000000   14.500000000000
              23 H     18.750000000000   16.280000000000   15.110000000000
              24 H     17.030000000000   17.920000000000   16.830000000000
              25 H     17.270000000000   16.180000000000   17.000000000000
              26 H     14.870000000000   17.440000000000   16.020000000000
              27 H     15.120000000000   15.890000000000   16.910000000000
              28 H     14.590000000000   15.990000000000   14.090000000000
              29 H     15.220000000000   14.680000000000   15.090000000000
              30 C     19.670000000000   18.540000000000   18.630000000000
              31 C     19.920000000000   18.910000000000   17.090000000000
              32 C     21.350000000000   18.450000000000   16.760000000000
              33 C     21.780000000000   17.530000000000   17.900000000000
              34 C     20.930000000000   17.850000000000   19.170000000000
              35 H     18.920000000000   17.860000000000   18.800000000000
              36 H     19.500000000000   19.440000000000   19.190000000000
              37 H     19.850000000000   19.950000000000   16.940000000000
              38 H     19.250000000000   18.320000000000   16.400000000000
              39 H     21.950000000000   19.330000000000   16.790000000000
              40 H     21.480000000000   17.980000000000   15.800000000000
              41 H     22.820000000000   17.830000000000   18.050000000000
              42 H     21.710000000000   16.440000000000   17.720000000000
              43 H     21.440000000000   18.580000000000   19.820000000000
              44 H     20.720000000000   16.960000000000   19.750000000000
              45 C     13.390000000000   12.810000000000   12.360000000000
              46 C     14.420000000000   12.080000000000   13.200000000000
              47 C     15.850000000000   12.270000000000   12.670000000000
              48 C     15.660000000000   13.080000000000   11.310000000000
              49 C     14.220000000000   13.160000000000   10.980000000000
              50 H     13.080000000000   13.680000000000   12.930000000000
              51 H     12.570000000000   12.160000000000   12.080000000000
              52 H     13.970000000000   11.010000000000   13.260000000000
              53 H     14.360000000000   12.420000000000   14.200000000000
              54 H     16.260000000000   11.280000000000   12.460000000000
              55 H     16.540000000000   12.740000000000   13.390000000000
              56 H     16.110000000000   12.530000000000   10.480000000000
              57 H     16.120000000000   14.110000000000   11.340000000000
              58 H     13.960000000000   12.350000000000   10.250000000000
              59 H     13.880000000000   14.150000000000   10.590000000000
              60 C     12.150000000000   15.690000000000   17.320000000000
              61 C     12.520000000000   14.670000000000   16.210000000000
              62 C     11.240000000000   13.760000000000   15.940000000000
              63 C     10.090000000000   14.450000000000   16.820000000000
              64 C     10.720000000000   15.260000000000   17.910000000000
              65 H     12.040000000000   16.700000000000   16.930000000000
              66 H     12.900000000000   15.920000000000   18.060000000000
              67 H     13.280000000000   14.070000000000   16.590000000000
              68 H     12.790000000000   15.160000000000   15.270000000000
              69 H     11.440000000000   12.780000000000   16.420000000000
              70 H     11.000000000000   13.610000000000   14.930000000000
              71 H      9.260000000000   13.800000000000   17.180000000000
              72 H      9.450000000000   15.080000000000   16.230000000000
              73 H     10.980000000000   14.580000000000   18.760000000000
              74 H     10.250000000000   16.190000000000   18.300000000000
              75 C     10.540000000000   18.660000000000   15.960000000000
              76 C      9.500000000000   19.440000000000   15.150000000000
              77 C     10.320000000000   20.180000000000   14.120000000000
              78 C     11.760000000000   19.500000000000   14.050000000000
              79 C     11.900000000000   18.640000000000   15.300000000000
              80 H     10.300000000000   17.610000000000   16.030000000000
              81 H     10.610000000000   19.110000000000   16.990000000000
              82 H      8.860000000000   19.980000000000   15.890000000000
              83 H      8.810000000000   18.680000000000   14.610000000000
              84 H     10.370000000000   21.270000000000   14.320000000000
              85 H      9.780000000000   20.110000000000   13.120000000000
              86 H     12.560000000000   20.300000000000   13.870000000000
              87 H     11.790000000000   18.840000000000   13.160000000000
              88 H     12.600000000000   19.040000000000   16.050000000000
              89 H     12.280000000000   17.660000000000   15.020000000000
