-------------------------------------------------------------
----------------------- !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:    -1171.2098186602
# -----------------------------------------------------------
$ 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     6.1639     6.0000    -0.1639     3.8967     3.8967     0.0000
  1   0     6.1869     6.0000    -0.1869     3.8755     3.8755     0.0000
  2   0     6.1607     6.0000    -0.1607     3.8439     3.8439     0.0000
  3   0     6.2087     6.0000    -0.2087     3.8920     3.8920     0.0000
  4   0     6.1237     6.0000    -0.1237     3.9137     3.9137    -0.0000
  5   0     0.9063     1.0000     0.0937     0.9695     0.9695     0.0000
  6   0     0.9291     1.0000     0.0709     0.9730     0.9730    -0.0000
  7   0     0.9370     1.0000     0.0630     0.9806     0.9806     0.0000
  8   0     0.9062     1.0000     0.0938     0.9744     0.9744    -0.0000
  9   0     0.9036     1.0000     0.0964     0.9664     0.9664    -0.0000
 10   0     0.9213     1.0000     0.0787     0.9735     0.9735     0.0000
 11   0     0.9088     1.0000     0.0912     0.9778     0.9778     0.0000
 12   0     0.9135     1.0000     0.0865     0.9693     0.9693     0.0000
 13   0     0.9026     1.0000     0.0974     0.9720     0.9720    -0.0000
 14   0     0.9258     1.0000     0.0742     0.9874     0.9874     0.0000
 15   0     6.1668     6.0000    -0.1668     3.8595     3.8595     0.0000
 16   0     6.2130     6.0000    -0.2130     3.8760     3.8760     0.0000
 17   0     6.1748     6.0000    -0.1748     3.9002     3.9002    -0.0000
 18   0     6.1360     6.0000    -0.1360     3.8955     3.8955    -0.0000
 19   0     6.1630     6.0000    -0.1630     3.8994     3.8994    -0.0000
 20   0     0.9232     1.0000     0.0768     0.9722     0.9722     0.0000
 21   0     0.9048     1.0000     0.0952     0.9708     0.9708     0.0000
 22   0     0.9066     1.0000     0.0934     0.9694     0.9694     0.0000
 23   0     0.9245     1.0000     0.0755     0.9712     0.9712     0.0000
 24   0     0.9124     1.0000     0.0876     0.9751     0.9751    -0.0000
 25   0     0.9126     1.0000     0.0874     0.9773     0.9773    -0.0000
 26   0     0.8949     1.0000     0.1051     0.9692     0.9692    -0.0000
 27   0     0.9236     1.0000     0.0764     0.9723     0.9723    -0.0000
 28   0     0.9280     1.0000     0.0720     0.9776     0.9776    -0.0000
 29   0     0.9046     1.0000     0.0954     0.9791     0.9791     0.0000
 30   0     6.1991     6.0000    -0.1991     3.8892     3.8892     0.0000
 31   0     6.1073     6.0000    -0.1073     3.8734     3.8734     0.0000
 32   0     6.1841     6.0000    -0.1841     3.9094     3.9094    -0.0000
 33   0     6.1708     6.0000    -0.1708     3.9032     3.9032     0.0000
 34   0     6.1450     6.0000    -0.1450     3.8952     3.8952    -0.0000
 35   0     0.9188     1.0000     0.0812     0.9773     0.9773     0.0000
 36   0     0.9200     1.0000     0.0800     0.9746     0.9746    -0.0000
 37   0     0.9237     1.0000     0.0763     0.9784     0.9784     0.0000
 38   0     0.9291     1.0000     0.0709     0.9780     0.9780     0.0000
 39   0     0.9265     1.0000     0.0735     0.9745     0.9745    -0.0000
 40   0     0.9072     1.0000     0.0928     0.9725     0.9725    -0.0000
 41   0     0.9176     1.0000     0.0824     0.9758     0.9758     0.0000
 42   0     0.9172     1.0000     0.0828     0.9792     0.9792    -0.0000
 43   0     0.9151     1.0000     0.0849     0.9791     0.9791    -0.0000
 44   0     0.9184     1.0000     0.0816     0.9787     0.9787    -0.0000
 45   0     6.1854     6.0000    -0.1854     3.8805     3.8805    -0.0000
 46   0     6.2077     6.0000    -0.2077     3.8702     3.8702    -0.0000
 47   0     6.0998     6.0000    -0.0998     3.8886     3.8886    -0.0000
 48   0     6.1496     6.0000    -0.1496     3.9229     3.9229    -0.0000
 49   0     6.1244     6.0000    -0.1244     3.8993     3.8993     0.0000
 50   0     0.9380     1.0000     0.0620     0.9836     0.9836     0.0000
 51   0     0.9132     1.0000     0.0868     0.9744     0.9744     0.0000
 52   0     0.9247     1.0000     0.0753     0.9783     0.9783    -0.0000
 53   0     0.9100     1.0000     0.0900     0.9743     0.9743     0.0000
 54   0     0.9172     1.0000     0.0828     0.9878     0.9878     0.0000
 55   0     0.9174     1.0000     0.0826     0.9810     0.9810    -0.0000
 56   0     0.9227     1.0000     0.0773     0.9747     0.9747    -0.0000
 57   0     0.9522     1.0000     0.0478     0.9910     0.9910     0.0000
 58   0     0.9102     1.0000     0.0898     0.9784     0.9784     0.0000
 59   0     0.9296     1.0000     0.0704     0.9785     0.9785     0.0000
 60   0     6.0636     6.0000    -0.0636     3.8532     3.8532     0.0000
 61   0     6.1624     6.0000    -0.1624     3.9362     3.9362    -0.0000
 62   0     6.1934     6.0000    -0.1934     3.8829     3.8829    -0.0000
 63   0     6.1879     6.0000    -0.1879     3.9207     3.9207    -0.0000
 64   0     6.1612     6.0000    -0.1612     3.8862     3.8862     0.0000
 65   0     0.9114     1.0000     0.0886     0.9823     0.9823    -0.0000
 66   0     1.0072     1.0000    -0.0072     1.0217     1.0217    -0.0000
 67   0     0.9250     1.0000     0.0750     0.9744     0.9744     0.0000
 68   0     0.9057     1.0000     0.0943     0.9718     0.9718    -0.0000
 69   0     0.9210     1.0000     0.0790     0.9812     0.9812    -0.0000
 70   0     0.9123     1.0000     0.0877     0.9777     0.9777    -0.0000
 71   0     0.9159     1.0000     0.0841     0.9765     0.9765     0.0000
 72   0     0.9091     1.0000     0.0909     0.9782     0.9782    -0.0000
 73   0     0.9094     1.0000     0.0906     0.9761     0.9761     0.0000
 74   0     0.9239     1.0000     0.0761     0.9734     0.9734     0.0000
 75   0     6.1569     6.0000    -0.1569     3.8925     3.8925    -0.0000
 76   0     6.1647     6.0000    -0.1647     3.9356     3.9356    -0.0000
 77   0     6.1336     6.0000    -0.1336     3.8907     3.8907    -0.0000
 78   0     6.1920     6.0000    -0.1920     3.9066     3.9066     0.0000
 79   0     6.1069     6.0000    -0.1069     3.8413     3.8413    -0.0000
 80   0     0.9270     1.0000     0.0730     0.9694     0.9694    -0.0000
 81   0     0.9259     1.0000     0.0741     0.9836     0.9836    -0.0000
 82   0     0.9161     1.0000     0.0839     0.9770     0.9770     0.0000
 83   0     0.9144     1.0000     0.0856     0.9767     0.9767    -0.0000
 84   0     0.9205     1.0000     0.0795     0.9780     0.9780    -0.0000
 85   0     0.9197     1.0000     0.0803     0.9759     0.9759    -0.0000
 86   0     0.9221     1.0000     0.0779     0.9723     0.9723     0.0000
 87   0     0.9168     1.0000     0.0832     0.9791     0.9791     0.0000
 88   0     0.9348     1.0000     0.0652     0.9821     0.9821     0.0000
 89   0     0.9502     1.0000     0.0498     0.9886     0.9886    -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                0.956762
                0             6               4            6                0.989902
                0             6               5            1                0.987989
                0             6               6            1                1.002387
                1             6               2            6                0.960104
                1             6               7            1                1.007297
                1             6               8            1                0.989350
                2             6               3            6                0.951139
                2             6               9            1                0.980876
                2             6              10            1                0.995931
                3             6               4            6                0.978865
                3             6              11            1                0.990622
                3             6              12            1                1.004040
                4             6              13            1                0.978094
                4             6              14            1                0.993113
               15             6              16            6                0.955866
               15             6              19            6                0.971678
               15             6              20            1                0.994677
               15             6              21            1                0.986889
               16             6              17            6                0.968628
               16             6              22            1                0.993232
               16             6              23            1                0.988432
               17             6              18            6                0.977606
               17             6              24            1                0.988283
               17             6              25            1                0.993936
               18             6              19            6                0.972528
               18             6              26            1                0.984095
               18             6              27            1                0.995703
               19             6              28            1                0.991654
               19             6              29            1                0.985812
               30             6              31            6                0.963597
               30             6              34            6                0.964721
               30             6              35            1                0.997107
               30             6              36            1                0.989990
               31             6              32            6                0.984811
               31             6              37            1                0.986024
               31             6              38            1                0.991457
               32             6              33            6                0.972032
               32             6              39            1                0.988035
               32             6              40            1                0.985717
               33             6              34            6                0.977136
               33             6              41            1                0.989511
               33             6              42            1                0.989716
               34             6              43            1                0.994260
               34             6              44            1                0.994287
               45             6              46            6                0.952252
               45             6              49            6                0.977712
               45             6              50            1                0.996358
               45             6              51            1                0.988360
               46             6              47            6                0.960569
               46             6              52            1                1.001607
               46             6              53            1                0.989514
               47             6              48            6                0.970853
               47             6              54            1                0.992461
               47             6              55            1                0.993967
               48             6              49            6                0.977211
               48             6              56            1                0.992019
               48             6              57            1                1.002924
               49             6              58            1                0.982146
               49             6              59            1                0.996356
               60             6              61            6                0.983128
               60             6              64            6                0.953063
               60             6              65            1                0.984322
               60             6              66            1                0.997950
               61             6              62            6                0.968268
               61             6              67            1                1.004514
               61             6              68            1                0.977237
               62             6              63            6                0.968794
               62             6              69            1                0.997887
               62             6              70            1                0.991704
               63             6              64            6                0.981393
               63             6              71            1                0.989723
               63             6              72            1                0.990706
               64             6              73            1                0.990416
               64             6              74            1                0.989390
               75             6              76            6                0.979514
               75             6              79            6                0.951094
               75             6              80            1                0.995354
               75             6              81            1                1.004618
               76             6              77            6                0.984258
               76             6              82            1                0.993257
               76             6              83            1                0.986865
               77             6              78            6                0.964589
               77             6              84            1                0.995527
               77             6              85            1                0.988797
               78             6              79            6                0.964659
               78             6              86            1                0.998859
               78             6              87            1                0.993574
               79             6              88            1                0.985253
               79             6              89            1                0.997052
# -----------------------------------------------------------
$ 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     6.1716     6.0000    -0.1716     4.0055     3.6860     0.3195
  1   0     6.1948     6.0000    -0.1948     3.9878     3.6640     0.3238
  2   0     6.1684     6.0000    -0.1684     3.9558     3.6312     0.3246
  3   0     6.2164     6.0000    -0.2164     4.0059     3.6764     0.3295
  4   0     6.1313     6.0000    -0.1313     4.0195     3.7005     0.3190
  5   0     0.9025     1.0000     0.0975     0.9786     0.9256     0.0530
  6   0     0.9253     1.0000     0.0747     0.9829     0.9291     0.0538
  7   0     0.9333     1.0000     0.0667     0.9910     0.9340     0.0570
  8   0     0.9022     1.0000     0.0978     0.9831     0.9325     0.0506
  9   0     0.8998     1.0000     0.1002     0.9757     0.9246     0.0511
 10   0     0.9173     1.0000     0.0827     0.9832     0.9294     0.0538
 11   0     0.9052     1.0000     0.0948     0.9871     0.9334     0.0537
 12   0     0.9098     1.0000     0.0902     0.9788     0.9249     0.0539
 13   0     0.8989     1.0000     0.1011     0.9810     0.9316     0.0494
 14   0     0.9219     1.0000     0.0781     0.9968     0.9469     0.0499
 15   0     6.1758     6.0000    -0.1758     3.9743     3.6399     0.3344
 16   0     6.2204     6.0000    -0.2204     3.9910     3.6572     0.3338
 17   0     6.1823     6.0000    -0.1823     4.0095     3.6912     0.3183
 18   0     6.1446     6.0000    -0.1446     4.0046     3.6888     0.3158
 19   0     6.1703     6.0000    -0.1703     4.0079     3.6850     0.3229
 20   0     0.9194     1.0000     0.0806     0.9822     0.9280     0.0542
 21   0     0.9007     1.0000     0.0993     0.9797     0.9255     0.0542
 22   0     0.9025     1.0000     0.0975     0.9785     0.9243     0.0542
 23   0     0.9205     1.0000     0.0795     0.9812     0.9275     0.0537
 24   0     0.9085     1.0000     0.0915     0.9845     0.9322     0.0523
 25   0     0.9086     1.0000     0.0914     0.9863     0.9362     0.0501
 26   0     0.8907     1.0000     0.1093     0.9775     0.9289     0.0486
 27   0     0.9196     1.0000     0.0804     0.9821     0.9305     0.0516
 28   0     0.9241     1.0000     0.0759     0.9878     0.9325     0.0553
 29   0     0.9006     1.0000     0.0994     0.9878     0.9382     0.0496
 30   0     6.2067     6.0000    -0.2067     3.9997     3.6765     0.3232
 31   0     6.1152     6.0000    -0.1152     3.9792     3.6656     0.3136
 32   0     6.1919     6.0000    -0.1919     4.0184     3.6972     0.3212
 33   0     6.1784     6.0000    -0.1784     4.0120     3.6934     0.3186
 34   0     6.1528     6.0000    -0.1528     4.0032     3.6833     0.3199
 35   0     0.9149     1.0000     0.0851     0.9866     0.9357     0.0509
 36   0     0.9163     1.0000     0.0837     0.9843     0.9330     0.0513
 37   0     0.9197     1.0000     0.0803     0.9880     0.9362     0.0518
 38   0     0.9252     1.0000     0.0748     0.9880     0.9345     0.0535
 39   0     0.9226     1.0000     0.0774     0.9842     0.9293     0.0549
 40   0     0.9033     1.0000     0.0967     0.9814     0.9269     0.0545
 41   0     0.9137     1.0000     0.0863     0.9850     0.9315     0.0535
 42   0     0.9134     1.0000     0.0866     0.9885     0.9380     0.0505
 43   0     0.9113     1.0000     0.0887     0.9884     0.9376     0.0508
 44   0     0.9147     1.0000     0.0853     0.9882     0.9378     0.0504
 45   0     6.1931     6.0000    -0.1931     3.9929     3.6559     0.3370
 46   0     6.2139     6.0000    -0.2139     3.9812     3.6585     0.3227
 47   0     6.1078     6.0000    -0.1078     3.9945     3.6805     0.3140
 48   0     6.1578     6.0000    -0.1578     4.0304     3.7112     0.3192
 49   0     6.1319     6.0000    -0.1319     4.0059     3.6829     0.3230
 50   0     0.9350     1.0000     0.0650     0.9953     0.9378     0.0575
 51   0     0.9093     1.0000     0.0907     0.9837     0.9290     0.0547
 52   0     0.9210     1.0000     0.0790     0.9883     0.9353     0.0530
 53   0     0.9062     1.0000     0.0938     0.9838     0.9338     0.0500
 54   0     0.9130     1.0000     0.0870     0.9964     0.9472     0.0492
 55   0     0.9134     1.0000     0.0866     0.9901     0.9404     0.0497
 56   0     0.9187     1.0000     0.0813     0.9842     0.9302     0.0540
 57   0     0.9488     1.0000     0.0512     1.0023     0.9480     0.0543
 58   0     0.9064     1.0000     0.0936     0.9875     0.9347     0.0528
 59   0     0.9259     1.0000     0.0741     0.9886     0.9329     0.0557
 60   0     6.0707     6.0000    -0.0707     3.9562     3.6404     0.3158
 61   0     6.1711     6.0000    -0.1711     4.0459     3.7187     0.3272
 62   0     6.2007     6.0000    -0.2007     3.9945     3.6669     0.3276
 63   0     6.1953     6.0000    -0.1953     4.0309     3.7112     0.3197
 64   0     6.1701     6.0000    -0.1701     3.9988     3.6705     0.3283
 65   0     0.9073     1.0000     0.0927     0.9911     0.9427     0.0484
 66   0     1.0034     1.0000    -0.0034     1.0345     0.9749     0.0596
 67   0     0.9211     1.0000     0.0789     0.9840     0.9318     0.0522
 68   0     0.9018     1.0000     0.0982     0.9809     0.9273     0.0536
 69   0     0.9172     1.0000     0.0828     0.9909     0.9357     0.0552
 70   0     0.9083     1.0000     0.0917     0.9869     0.9356     0.0513
 71   0     0.9119     1.0000     0.0881     0.9859     0.9338     0.0521
 72   0     0.9051     1.0000     0.0949     0.9870     0.9374     0.0496
 73   0     0.9054     1.0000     0.0946     0.9850     0.9332     0.0518
 74   0     0.9199     1.0000     0.0801     0.9832     0.9264     0.0568
 75   0     6.1649     6.0000    -0.1649     4.0010     3.6839     0.3171
 76   0     6.1724     6.0000    -0.1724     4.0422     3.7227     0.3195
 77   0     6.1413     6.0000    -0.1413     3.9961     3.6831     0.3130
 78   0     6.1997     6.0000    -0.1997     4.0170     3.6933     0.3237
 79   0     6.1149     6.0000    -0.1149     3.9485     3.6342     0.3143
 80   0     0.9231     1.0000     0.0769     0.9793     0.9243     0.0550
 81   0     0.9217     1.0000     0.0783     0.9929     0.9433     0.0496
 82   0     0.9124     1.0000     0.0876     0.9863     0.9338     0.0525
 83   0     0.9106     1.0000     0.0894     0.9859     0.9331     0.0528
 84   0     0.9166     1.0000     0.0834     0.9871     0.9360     0.0511
 85   0     0.9159     1.0000     0.0841     0.9854     0.9343     0.0511
 86   0     0.9181     1.0000     0.0819     0.9820     0.9266     0.0554
 87   0     0.9130     1.0000     0.0870     0.9887     0.9357     0.0530
 88   0     0.9303     1.0000     0.0697     0.9912     0.9417     0.0495
 89   0     0.9462     1.0000     0.0538     0.9992     0.9449     0.0543
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.899407
                0             6               4            6                0.924502
                0             6               5            1                0.945694
                0             6               6            1                0.959343
                1             6               2            6                0.895517
                1             6               7            1                0.961528
                1             6               8            1                0.948877
                2             6               3            6                0.890052
                2             6               9            1                0.940546
                2             6              10            1                0.952792
                3             6               4            6                0.913451
                3             6              11            1                0.947914
                3             6              12            1                0.960532
                4             6              13            1                0.939292
                4             6              14            1                0.953955
               15             6              16            6                0.891088
               15             6              19            6                0.906986
               15             6              20            1                0.951543
               15             6              21            1                0.943043
               16             6              17            6                0.904825
               16             6              22            1                0.949156
               16             6              23            1                0.945803
               17             6              18            6                0.917315
               17             6              24            1                0.946784
               17             6              25            1                0.954185
               18             6              19            6                0.909546
               18             6              26            1                0.945331
               18             6              27            1                0.954958
               19             6              28            1                0.947994
               19             6              29            1                0.946636
               30             6              31            6                0.901043
               30             6              34            6                0.898636
               30             6              35            1                0.956815
               30             6              36            1                0.949807
               31             6              32            6                0.925203
               31             6              37            1                0.945427
               31             6              38            1                0.949191
               32             6              33            6                0.911171
               32             6              39            1                0.944333
               32             6              40            1                0.941726
               33             6              34            6                0.914689
               33             6              41            1                0.946593
               33             6              42            1                0.950014
               34             6              43            1                0.953939
               34             6              44            1                0.954526
               45             6              46            6                0.886424
               45             6              49            6                0.911051
               45             6              50            1                0.951630
               45             6              51            1                0.944257
               46             6              47            6                0.898558
               46             6              52            1                0.959584
               46             6              53            1                0.950333
               47             6              48            6                0.908012
               47             6              54            1                0.953246
               47             6              55            1                0.954085
               48             6              49            6                0.917169
               48             6              56            1                0.948772
               48             6              57            1                0.961156
               49             6              58            1                0.940182
               49             6              59            1                0.951868
               60             6              61            6                0.920157
               60             6              64            6                0.890037
               60             6              65            1                0.946191
               60             6              66            1                0.952579
               61             6              62            6                0.902440
               61             6              67            1                0.962525
               61             6              68            1                0.934640
               62             6              63            6                0.906872
               62             6              69            1                0.953609
               62             6              70            1                0.950786
               63             6              64            6                0.918708
               63             6              71            1                0.948311
               63             6              72            1                0.951332
               64             6              73            1                0.949160
               64             6              74            1                0.944118
               75             6              76            6                0.916861
               75             6              79            6                0.891610
               75             6              80            1                0.950892
               75             6              81            1                0.965195
               76             6              77            6                0.922073
               76             6              82            1                0.951284
               76             6              83            1                0.944721
               77             6              78            6                0.903420
               77             6              84            1                0.954838
               77             6              85            1                0.948645
               78             6              79            6                0.902440
               78             6              86            1                0.954275
               78             6              87            1                0.951587
               79             6              88            1                0.945867
               79             6              89            1                0.954205
# -----------------------------------------------------------
$ 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     6.2160     6.0000    -0.2160     3.9871     3.6721     0.3150
  1   0     6.2466     6.0000    -0.2466     3.9734     3.6540     0.3194
  2   0     6.2220     6.0000    -0.2220     3.9586     3.6383     0.3203
  3   0     6.2536     6.0000    -0.2536     3.9903     3.6654     0.3249
  4   0     6.1893     6.0000    -0.1893     4.0079     3.6925     0.3154
  5   0     0.8805     1.0000     0.1195     0.9725     0.9205     0.0520
  6   0     0.8966     1.0000     0.1034     0.9759     0.9234     0.0525
  7   0     0.8995     1.0000     0.1005     0.9804     0.9250     0.0554
  8   0     0.8800     1.0000     0.1200     0.9757     0.9262     0.0495
  9   0     0.8791     1.0000     0.1209     0.9718     0.9218     0.0500
 10   0     0.8925     1.0000     0.1075     0.9740     0.9214     0.0526
 11   0     0.8815     1.0000     0.1185     0.9777     0.9250     0.0527
 12   0     0.8855     1.0000     0.1145     0.9700     0.9171     0.0529
 13   0     0.8784     1.0000     0.1216     0.9758     0.9273     0.0485
 14   0     0.8966     1.0000     0.1034     0.9857     0.9368     0.0489
 15   0     6.2300     6.0000    -0.2300     3.9694     3.6395     0.3299
 16   0     6.2642     6.0000    -0.2642     3.9828     3.6537     0.3291
 17   0     6.2257     6.0000    -0.2257     3.9998     3.6858     0.3140
 18   0     6.2055     6.0000    -0.2055     4.0050     3.6931     0.3119
 19   0     6.2065     6.0000    -0.2065     3.9799     3.6613     0.3186
 20   0     0.8926     1.0000     0.1074     0.9777     0.9248     0.0529
 21   0     0.8790     1.0000     0.1210     0.9713     0.9182     0.0531
 22   0     0.8786     1.0000     0.1214     0.9686     0.9155     0.0531
 23   0     0.8937     1.0000     0.1063     0.9764     0.9240     0.0524
 24   0     0.8855     1.0000     0.1145     0.9754     0.9240     0.0514
 25   0     0.8841     1.0000     0.1159     0.9787     0.9297     0.0490
 26   0     0.8725     1.0000     0.1275     0.9715     0.9238     0.0477
 27   0     0.8919     1.0000     0.1081     0.9747     0.9242     0.0505
 28   0     0.9013     1.0000     0.0987     0.9793     0.9249     0.0544
 29   0     0.8789     1.0000     0.1211     0.9810     0.9324     0.0486
 30   0     6.2532     6.0000    -0.2532     3.9758     3.6564     0.3194
 31   0     6.1691     6.0000    -0.1691     3.9658     3.6565     0.3093
 32   0     6.2321     6.0000    -0.2321     4.0013     3.6848     0.3165
 33   0     6.2281     6.0000    -0.2281     4.0079     3.6935     0.3144
 34   0     6.2046     6.0000    -0.2046     3.9857     3.6696     0.3161
 35   0     0.8891     1.0000     0.1109     0.9778     0.9280     0.0498
 36   0     0.8919     1.0000     0.1081     0.9769     0.9266     0.0503
 37   0     0.8943     1.0000     0.1057     0.9800     0.9293     0.0507
 38   0     0.9011     1.0000     0.0989     0.9808     0.9283     0.0525
 39   0     0.8989     1.0000     0.1011     0.9768     0.9228     0.0540
 40   0     0.8797     1.0000     0.1203     0.9741     0.9208     0.0533
 41   0     0.8903     1.0000     0.1097     0.9772     0.9247     0.0525
 42   0     0.8901     1.0000     0.1099     0.9818     0.9323     0.0495
 43   0     0.8877     1.0000     0.1123     0.9803     0.9305     0.0498
 44   0     0.8901     1.0000     0.1099     0.9802     0.9308     0.0494
 45   0     6.2431     6.0000    -0.2431     3.9746     3.6421     0.3325
 46   0     6.2556     6.0000    -0.2556     3.9611     3.6429     0.3182
 47   0     6.1718     6.0000    -0.1718     3.9835     3.6733     0.3102
 48   0     6.2109     6.0000    -0.2109     4.0077     3.6929     0.3148
 49   0     6.1849     6.0000    -0.1849     3.9929     3.6744     0.3185
 50   0     0.9030     1.0000     0.0970     0.9864     0.9304     0.0560
 51   0     0.8876     1.0000     0.1124     0.9758     0.9220     0.0538
 52   0     0.8946     1.0000     0.1054     0.9788     0.9269     0.0519
 53   0     0.8796     1.0000     0.1204     0.9786     0.9298     0.0488
 54   0     0.8846     1.0000     0.1154     0.9865     0.9385     0.0480
 55   0     0.8875     1.0000     0.1125     0.9830     0.9344     0.0486
 56   0     0.8940     1.0000     0.1060     0.9752     0.9222     0.0530
 57   0     0.9208     1.0000     0.0792     1.0010     0.9482     0.0528
 58   0     0.8841     1.0000     0.1159     0.9794     0.9276     0.0518
 59   0     0.8989     1.0000     0.1011     0.9809     0.9264     0.0545
 60   0     6.1432     6.0000    -0.1432     3.9504     3.6386     0.3118
 61   0     6.2179     6.0000    -0.2179     4.0190     3.6961     0.3229
 62   0     6.2423     6.0000    -0.2423     3.9836     3.6606     0.3230
 63   0     6.2440     6.0000    -0.2440     4.0215     3.7060     0.3155
 64   0     6.2125     6.0000    -0.2125     3.9809     3.6572     0.3237
 65   0     0.8824     1.0000     0.1176     0.9806     0.9333     0.0473
 66   0     0.9612     1.0000     0.0388     1.0266     0.9687     0.0579
 67   0     0.8962     1.0000     0.1038     0.9803     0.9294     0.0509
 68   0     0.8824     1.0000     0.1176     0.9751     0.9224     0.0527
 69   0     0.8912     1.0000     0.1088     0.9839     0.9299     0.0540
 70   0     0.8855     1.0000     0.1145     0.9779     0.9276     0.0503
 71   0     0.8887     1.0000     0.1113     0.9788     0.9278     0.0510
 72   0     0.8806     1.0000     0.1194     0.9784     0.9300     0.0484
 73   0     0.8822     1.0000     0.1178     0.9774     0.9267     0.0507
 74   0     0.8974     1.0000     0.1026     0.9758     0.9200     0.0558
 75   0     6.2226     6.0000    -0.2226     3.9851     3.6722     0.3129
 76   0     6.2142     6.0000    -0.2142     4.0171     3.7018     0.3153
 77   0     6.2018     6.0000    -0.2018     3.9926     3.6834     0.3092
 78   0     6.2376     6.0000    -0.2376     3.9855     3.6663     0.3192
 79   0     6.1840     6.0000    -0.1840     3.9389     3.6288     0.3101
 80   0     0.8954     1.0000     0.1046     0.9716     0.9178     0.0538
 81   0     0.8911     1.0000     0.1089     0.9841     0.9358     0.0483
 82   0     0.8899     1.0000     0.1101     0.9796     0.9281     0.0515
 83   0     0.8880     1.0000     0.1120     0.9782     0.9264     0.0518
 84   0     0.8902     1.0000     0.1098     0.9778     0.9278     0.0500
 85   0     0.8916     1.0000     0.1084     0.9780     0.9279     0.0501
 86   0     0.8933     1.0000     0.1067     0.9738     0.9195     0.0543
 87   0     0.8878     1.0000     0.1122     0.9818     0.9300     0.0518
 88   0     0.9001     1.0000     0.0999     0.9858     0.9376     0.0482
 89   0     0.9151     1.0000     0.0849     0.9882     0.9352     0.0530
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.914229
                0             6               4            6                0.929918
                0             6               5            1                0.930233
                0             6               6            1                0.946535
                1             6               2            6                0.903466
                1             6               7            1                0.943988
                1             6               8            1                0.935730
                2             6               3            6                0.908666
                2             6               9            1                0.929796
                2             6              10            1                0.939100
                3             6               4            6                0.919189
                3             6              11            1                0.931979
                3             6              12            1                0.944646
                4             6              13            1                0.931239
                4             6              14            1                0.941155
               15             6              16            6                0.903136
               15             6              19            6                0.913509
               15             6              20            1                0.937888
               15             6              21            1                0.927792
               16             6              17            6                0.914940
               16             6              22            1                0.933745
               16             6              23            1                0.930475
               17             6              18            6                0.930745
               17             6              24            1                0.931533
               17             6              25            1                0.941803
               18             6              19            6                0.918904
               18             6              26            1                0.931612
               18             6              27            1                0.941725
               19             6              28            1                0.929466
               19             6              29            1                0.935906
               30             6              31            6                0.908363
               30             6              34            6                0.899712
               30             6              35            1                0.944270
               30             6              36            1                0.937417
               31             6              32            6                0.938187
               31             6              37            1                0.932807
               31             6              38            1                0.935508
               32             6              33            6                0.922225
               32             6              39            1                0.930307
               32             6              40            1                0.924946
               33             6              34            6                0.928178
               33             6              41            1                0.933068
               33             6              42            1                0.938995
               34             6              43            1                0.941915
               34             6              44            1                0.943112
               45             6              46            6                0.891628
               45             6              49            6                0.920014
               45             6              50            1                0.936393
               45             6              51            1                0.929258
               46             6              47            6                0.906894
               46             6              52            1                0.944265
               46             6              53            1                0.941361
               47             6              48            6                0.915020
               47             6              54            1                0.941005
               47             6              55            1                0.944667
               48             6              49            6                0.930122
               48             6              56            1                0.929958
               48             6              57            1                0.947841
               49             6              58            1                0.925963
               49             6              59            1                0.936938
               60             6              61            6                0.926228
               60             6              64            6                0.903031
               60             6              65            1                0.933593
               60             6              66            1                0.939321
               61             6              62            6                0.909559
               61             6              67            1                0.951277
               61             6              68            1                0.918710
               62             6              63            6                0.918460
               62             6              69            1                0.938668
               62             6              70            1                0.937521
               63             6              64            6                0.929266
               63             6              71            1                0.935218
               63             6              72            1                0.939528
               64             6              73            1                0.935616
               64             6              74            1                0.925329
               75             6              76            6                0.925438
               75             6              79            6                0.896907
               75             6              80            1                0.936322
               75             6              81            1                0.953547
               76             6              77            6                0.929391
               76             6              82            1                0.938205
               76             6              83            1                0.931144
               77             6              78            6                0.916063
               77             6              84            1                0.942404
               77             6              85            1                0.936248
               78             6              79            6                0.908282
               78             6              86            1                0.936961
               78             6              87            1                0.936873
               79             6              88            1                0.935061
               79             6              89            1                0.940547
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2098186602
        Correlation Energy:       -5.0666806502
        Total MP2 Energy:      -1176.2764993104
# -----------------------------------------------------------
$ 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) :        0.2117548977
        Electronic Contribution:
                  0    
      0       0.948952
      1      -0.022033
      2      -0.232715
        Nuclear Contribution:
                  0    
      0      -0.939907
      1       0.104434
      2       0.241002
        Total Dipole moment:
                  0    
      0       0.009046
      1       0.082401
      2       0.008287
# -----------------------------------------------------------
$ 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) :        0.2132832944
        Electronic Contribution:
                  0    
      0       0.948309
      1      -0.021477
      2      -0.231598
        Nuclear Contribution:
                  0    
      0      -0.939907
      1       0.104434
      2       0.241002
        Total Dipole moment:
                  0    
      0       0.008402
      1       0.082957
      2       0.009403
# -----------------------------------------------------------
$ 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) :        0.1948024514
        Electronic Contribution:
                  0    
      0       0.935745
      1      -0.032614
      2      -0.214580
        Nuclear Contribution:
                  0    
      0      -0.939907
      1       0.104434
      2       0.241002
        Total Dipole moment:
                  0    
      0      -0.004162
      1       0.071821
      2       0.026422
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     19.660000000000   16.520000000000   13.020000000000
               1 C     19.430000000000   16.810000000000   14.430000000000
               2 C     20.320000000000   18.030000000000   14.830000000000
               3 C     20.930000000000   18.550000000000   13.530000000000
               4 C     20.820000000000   17.400000000000   12.440000000000
               5 H     18.690000000000   16.470000000000   12.450000000000
               6 H     20.090000000000   15.530000000000   12.910000000000
               7 H     19.790000000000   15.940000000000   15.050000000000
               8 H     18.370000000000   16.790000000000   14.650000000000
               9 H     21.010000000000   17.840000000000   15.650000000000
              10 H     19.550000000000   18.750000000000   15.170000000000
              11 H     21.930000000000   19.060000000000   13.590000000000
              12 H     20.310000000000   19.440000000000   13.310000000000
              13 H     21.770000000000   16.920000000000   12.270000000000
              14 H     20.430000000000   17.820000000000   11.560000000000
              15 C     22.320000000000   17.620000000000   24.500000000000
              16 C     21.820000000000   17.910000000000   23.040000000000
              17 C     22.860000000000   18.900000000000   22.410000000000
              18 C     23.840000000000   19.300000000000   23.480000000000
              19 C     23.280000000000   18.800000000000   24.830000000000
              20 H     22.810000000000   16.630000000000   24.540000000000
              21 H     21.450000000000   17.540000000000   25.240000000000
              22 H     20.770000000000   18.310000000000   23.150000000000
              23 H     21.640000000000   17.000000000000   22.460000000000
              24 H     22.400000000000   19.840000000000   22.070000000000
              25 H     23.290000000000   18.460000000000   21.540000000000
              26 H     24.160000000000   20.330000000000   23.490000000000
              27 H     24.740000000000   18.730000000000   23.400000000000
              28 H     22.520000000000   19.520000000000   25.260000000000
              29 H     24.020000000000   18.500000000000   25.550000000000
              30 C     16.110000000000   23.650000000000   19.480000000000
              31 C     17.520000000000   23.080000000000   19.320000000000
              32 C     17.680000000000   21.800000000000   20.060000000000
              33 C     16.290000000000   21.240000000000   20.230000000000
              34 C     15.280000000000   22.380000000000   19.950000000000
              35 H     15.830000000000   24.070000000000   18.530000000000
              36 H     15.940000000000   24.430000000000   20.210000000000
              37 H     18.200000000000   23.850000000000   19.670000000000
              38 H     17.560000000000   22.950000000000   18.220000000000
              39 H     18.120000000000   22.010000000000   21.090000000000
              40 H     18.430000000000   21.170000000000   19.460000000000
              41 H     16.210000000000   20.900000000000   21.300000000000
              42 H     16.160000000000   20.430000000000   19.540000000000
              43 H     14.710000000000   22.700000000000   20.810000000000
              44 H     14.600000000000   22.100000000000   19.180000000000
              45 C     18.730000000000   15.880000000000   18.390000000000
              46 C     18.780000000000   17.450000000000   18.530000000000
              47 C     18.950000000000   17.810000000000   20.020000000000
              48 C     19.100000000000   16.480000000000   20.780000000000
              49 C     19.140000000000   15.330000000000   19.820000000000
              50 H     19.460000000000   15.580000000000   17.600000000000
              51 H     17.690000000000   15.560000000000   18.030000000000
              52 H     17.820000000000   17.700000000000   18.100000000000
              53 H     19.490000000000   17.920000000000   17.910000000000
              54 H     18.080000000000   18.350000000000   20.320000000000
              55 H     19.880000000000   18.300000000000   20.170000000000
              56 H     18.250000000000   16.380000000000   21.500000000000
              57 H     19.950000000000   16.440000000000   21.430000000000
              58 H     18.480000000000   14.460000000000   20.060000000000
              59 H     20.210000000000   15.000000000000   19.680000000000
              60 C     25.020000000000   15.410000000000   22.910000000000
              61 C     23.910000000000   14.360000000000   22.960000000000
              62 C     23.490000000000   14.130000000000   21.460000000000
              63 C     24.530000000000   14.840000000000   20.580000000000
              64 C     25.650000000000   15.360000000000   21.510000000000
              65 H     25.740000000000   15.310000000000   23.660000000000
              66 H     24.570000000000   16.430000000000   23.000000000000
              67 H     23.080000000000   14.850000000000   23.430000000000
              68 H     24.170000000000   13.380000000000   23.490000000000
              69 H     22.420000000000   14.490000000000   21.450000000000
              70 H     23.470000000000   13.070000000000   21.220000000000
              71 H     24.090000000000   15.710000000000   20.080000000000
              72 H     24.940000000000   14.170000000000   19.860000000000
              73 H     26.050000000000   16.350000000000   21.240000000000
              74 H     26.550000000000   14.620000000000   21.610000000000
              75 C     23.410000000000   14.450000000000   16.820000000000
              76 C     24.280000000000   13.460000000000   16.020000000000
              77 C     23.370000000000   12.800000000000   14.980000000000
              78 C     21.990000000000   13.330000000000   15.300000000000
              79 C     22.060000000000   14.550000000000   16.240000000000
              80 H     23.720000000000   15.520000000000   16.800000000000
              81 H     23.390000000000   14.230000000000   17.850000000000
              82 H     24.680000000000   12.720000000000   16.740000000000
              83 H     25.120000000000   13.990000000000   15.510000000000
              84 H     23.350000000000   11.720000000000   15.080000000000
              85 H     23.630000000000   13.020000000000   13.950000000000
              86 H     21.490000000000   12.450000000000   15.810000000000
              87 H     21.370000000000   13.520000000000   14.410000000000
              88 H     21.360000000000   14.600000000000   17.010000000000
              89 H     21.970000000000   15.520000000000   15.720000000000
