-------------------------------------------------------------
----------------------- !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:    -1171.1805709525
# -----------------------------------------------------------
$ 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     6.2331     6.0000    -0.2331     3.9105     3.9105    -0.0000
  1   0     6.0927     6.0000    -0.0927     3.8915     3.8915    -0.0000
  2   0     6.1250     6.0000    -0.1250     3.9171     3.9171    -0.0000
  3   0     6.1835     6.0000    -0.1835     3.9029     3.9029     0.0000
  4   0     6.1666     6.0000    -0.1666     3.8549     3.8549     0.0000
  5   0     0.9241     1.0000     0.0759     0.9702     0.9702    -0.0000
  6   0     0.9019     1.0000     0.0981     0.9692     0.9692     0.0000
  7   0     0.9433     1.0000     0.0567     1.0081     1.0081    -0.0000
  8   0     0.9245     1.0000     0.0755     0.9830     0.9830    -0.0000
  9   0     0.9145     1.0000     0.0855     0.9741     0.9741    -0.0000
 10   0     0.9311     1.0000     0.0689     0.9840     0.9840     0.0000
 11   0     0.9074     1.0000     0.0926     0.9793     0.9793     0.0000
 12   0     0.9293     1.0000     0.0707     0.9724     0.9724     0.0000
 13   0     0.9016     1.0000     0.0984     0.9680     0.9680     0.0000
 14   0     0.9101     1.0000     0.0899     0.9666     0.9666     0.0000
 15   0     6.1295     6.0000    -0.1295     3.8596     3.8596     0.0000
 16   0     6.1942     6.0000    -0.1942     3.9108     3.9108     0.0000
 17   0     6.1297     6.0000    -0.1297     3.8718     3.8718     0.0000
 18   0     6.1345     6.0000    -0.1345     3.9288     3.9288     0.0000
 19   0     6.2118     6.0000    -0.2118     3.8740     3.8740    -0.0000
 20   0     0.9160     1.0000     0.0840     0.9767     0.9767     0.0000
 21   0     0.9083     1.0000     0.0917     0.9741     0.9741     0.0000
 22   0     0.9171     1.0000     0.0829     0.9747     0.9747    -0.0000
 23   0     0.9151     1.0000     0.0849     0.9732     0.9732     0.0000
 24   0     0.9262     1.0000     0.0738     0.9792     0.9792     0.0000
 25   0     0.9176     1.0000     0.0824     0.9744     0.9744     0.0000
 26   0     0.9234     1.0000     0.0766     0.9772     0.9772    -0.0000
 27   0     0.9116     1.0000     0.0884     0.9792     0.9792     0.0000
 28   0     0.9340     1.0000     0.0660     0.9798     0.9798    -0.0000
 29   0     0.9342     1.0000     0.0658     0.9795     0.9795     0.0000
 30   0     6.2045     6.0000    -0.2045     3.8733     3.8733     0.0000
 31   0     6.1383     6.0000    -0.1383     3.9086     3.9086    -0.0000
 32   0     6.1748     6.0000    -0.1748     3.8866     3.8866     0.0000
 33   0     6.1133     6.0000    -0.1133     3.8782     3.8782     0.0000
 34   0     6.1968     6.0000    -0.1968     3.8917     3.8917     0.0000
 35   0     0.9213     1.0000     0.0787     0.9776     0.9776     0.0000
 36   0     0.9048     1.0000     0.0952     0.9719     0.9719    -0.0000
 37   0     0.9131     1.0000     0.0869     0.9818     0.9818     0.0000
 38   0     0.9128     1.0000     0.0872     0.9783     0.9783    -0.0000
 39   0     0.9269     1.0000     0.0731     0.9746     0.9746     0.0000
 40   0     0.9197     1.0000     0.0803     0.9764     0.9764     0.0000
 41   0     0.9226     1.0000     0.0774     0.9789     0.9789     0.0000
 42   0     0.9261     1.0000     0.0739     0.9773     0.9773     0.0000
 43   0     0.9176     1.0000     0.0824     0.9755     0.9755     0.0000
 44   0     0.9065     1.0000     0.0935     0.9738     0.9738     0.0000
 45   0     6.1549     6.0000    -0.1549     3.8992     3.8992     0.0000
 46   0     6.1441     6.0000    -0.1441     3.8572     3.8572     0.0000
 47   0     6.1636     6.0000    -0.1636     3.8744     3.8744     0.0000
 48   0     6.1088     6.0000    -0.1088     3.9041     3.9041    -0.0000
 49   0     6.1710     6.0000    -0.1710     3.9506     3.9506    -0.0000
 50   0     0.9233     1.0000     0.0767     0.9816     0.9816     0.0000
 51   0     0.9154     1.0000     0.0846     0.9718     0.9718    -0.0000
 52   0     0.9841     1.0000     0.0159     1.0212     1.0212    -0.0000
 53   0     0.9172     1.0000     0.0828     0.9756     0.9756    -0.0000
 54   0     0.9309     1.0000     0.0691     0.9739     0.9739     0.0000
 55   0     0.9142     1.0000     0.0858     0.9773     0.9773     0.0000
 56   0     0.9227     1.0000     0.0773     0.9763     0.9763     0.0000
 57   0     0.9213     1.0000     0.0787     0.9776     0.9776    -0.0000
 58   0     0.9317     1.0000     0.0683     0.9762     0.9762    -0.0000
 59   0     0.9034     1.0000     0.0966     0.9725     0.9725     0.0000
 60   0     6.1400     6.0000    -0.1400     3.8808     3.8808    -0.0000
 61   0     6.1401     6.0000    -0.1401     3.9211     3.9211    -0.0000
 62   0     6.1470     6.0000    -0.1470     3.9081     3.9081    -0.0000
 63   0     6.1887     6.0000    -0.1887     3.8875     3.8875    -0.0000
 64   0     6.1390     6.0000    -0.1390     3.9193     3.9193     0.0000
 65   0     0.9621     1.0000     0.0379     0.9896     0.9896     0.0000
 66   0     0.9213     1.0000     0.0787     0.9725     0.9725     0.0000
 67   0     0.9246     1.0000     0.0754     0.9816     0.9816    -0.0000
 68   0     0.9263     1.0000     0.0737     0.9751     0.9751    -0.0000
 69   0     0.9176     1.0000     0.0824     0.9801     0.9801    -0.0000
 70   0     0.9202     1.0000     0.0798     0.9803     0.9803    -0.0000
 71   0     0.9182     1.0000     0.0818     0.9754     0.9754    -0.0000
 72   0     0.9171     1.0000     0.0829     0.9742     0.9742    -0.0000
 73   0     0.9171     1.0000     0.0829     0.9832     0.9832    -0.0000
 74   0     0.9206     1.0000     0.0794     0.9726     0.9726     0.0000
 75   0     6.2237     6.0000    -0.2237     3.9103     3.9103     0.0000
 76   0     6.1153     6.0000    -0.1153     3.8797     3.8797    -0.0000
 77   0     6.1919     6.0000    -0.1919     3.8501     3.8501     0.0000
 78   0     6.1482     6.0000    -0.1482     3.8527     3.8527     0.0000
 79   0     6.1452     6.0000    -0.1452     3.8954     3.8954     0.0000
 80   0     0.8975     1.0000     0.1025     0.9724     0.9724     0.0000
 81   0     0.9125     1.0000     0.0875     0.9756     0.9756    -0.0000
 82   0     0.9078     1.0000     0.0922     0.9777     0.9777    -0.0000
 83   0     0.9162     1.0000     0.0838     0.9801     0.9801    -0.0000
 84   0     0.9247     1.0000     0.0753     0.9735     0.9735     0.0000
 85   0     0.9371     1.0000     0.0629     0.9762     0.9762    -0.0000
 86   0     0.9176     1.0000     0.0824     0.9766     0.9766     0.0000
 87   0     0.9434     1.0000     0.0566     1.0017     1.0017     0.0000
 88   0     0.9065     1.0000     0.0935     0.9797     0.9797     0.0000
 89   0     0.9148     1.0000     0.0852     0.9754     0.9754     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                0.961888
                0             6               4            6                0.964926
                0             6               5            1                1.002681
                0             6               6            1                0.992015
                1             6               2            6                0.991439
                1             6               7            1                1.005028
                1             6               8            1                0.986115
                2             6               3            6                0.958312
                2             6               9            1                0.993856
                2             6              10            1                0.995443
                3             6               4            6                0.967683
                3             6              11            1                0.990793
                3             6              12            1                1.002655
                4             6              13            1                0.981481
                4             6              14            1                0.995773
               15             6              16            6                0.977389
               15             6              19            6                0.954974
               15             6              20            1                0.990969
               15             6              21            1                0.990119
               16             6              17            6                0.957228
               16             6              22            1                1.001809
               16             6              23            1                0.986062
               17             6              18            6                0.981524
               17             6              24            1                1.005946
               17             6              25            1                0.987456
               18             6              19            6                0.966054
               18             6              26            1                0.997548
               18             6              27            1                0.991617
               19             6              28            1                1.000753
               19             6              29            1                0.992181
               30             6              31            6                0.982012
               30             6              34            6                0.951839
               30             6              35            1                0.994496
               30             6              36            1                0.986336
               31             6              32            6                0.978346
               31             6              37            1                0.984109
               31             6              38            1                0.983066
               32             6              33            6                0.962295
               32             6              39            1                0.994203
               32             6              40            1                0.990897
               33             6              34            6                0.977084
               33             6              41            1                0.991155
               33             6              42            1                0.990305
               34             6              43            1                0.991349
               34             6              44            1                0.991267
               45             6              46            6                0.954391
               45             6              49            6                0.983669
               45             6              50            1                0.998010
               45             6              51            1                0.995420
               46             6              47            6                0.944415
               46             6              52            1                1.013716
               46             6              53            1                0.991980
               47             6              48            6                0.966128
               47             6              54            1                0.998764
               47             6              55            1                0.991074
               48             6              49            6                0.992422
               48             6              56            1                0.999794
               48             6              57            1                0.987046
               49             6              58            1                1.003673
               49             6              59            1                0.989686
               60             6              61            6                0.972760
               60             6              64            6                0.968775
               60             6              65            1                0.996110
               60             6              66            1                0.987873
               61             6              62            6                0.983490
               61             6              67            1                0.995856
               61             6              68            1                0.993963
               62             6              63            6                0.968450
               62             6              69            1                0.993322
               62             6              70            1                0.993014
               63             6              64            6                0.970716
               63             6              71            1                0.997569
               63             6              72            1                0.994782
               64             6              73            1                0.995806
               64             6              74            1                0.996069
               75             6              76            6                0.976545
               75             6              79            6                0.963895
               75             6              80            1                0.989146
               75             6              81            1                0.993723
               76             6              77            6                0.954976
               76             6              82            1                0.987808
               76             6              83            1                0.995956
               77             6              78            6                0.946955
               77             6              84            1                0.993523
               77             6              85            1                0.995442
               78             6              79            6                0.960839
               78             6              86            1                0.988378
               78             6              87            1                1.003365
               79             6              88            1                0.993998
               79             6              89            1                1.000899
# -----------------------------------------------------------
$ 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     6.2413     6.0000    -0.2413     4.0249     3.6919     0.3330
  1   0     6.0999     6.0000    -0.0999     3.9972     3.6773     0.3199
  2   0     6.1329     6.0000    -0.1329     4.0239     3.7062     0.3177
  3   0     6.1919     6.0000    -0.1919     4.0154     3.6933     0.3221
  4   0     6.1745     6.0000    -0.1745     3.9680     3.6428     0.3252
  5   0     0.9201     1.0000     0.0799     0.9799     0.9253     0.0546
  6   0     0.8981     1.0000     0.1019     0.9782     0.9265     0.0517
  7   0     0.9390     1.0000     0.0610     1.0179     0.9673     0.0506
  8   0     0.9210     1.0000     0.0790     0.9930     0.9397     0.0533
  9   0     0.9104     1.0000     0.0896     0.9832     0.9324     0.0508
 10   0     0.9277     1.0000     0.0723     0.9950     0.9407     0.0543
 11   0     0.9032     1.0000     0.0968     0.9879     0.9397     0.0482
 12   0     0.9255     1.0000     0.0745     0.9824     0.9275     0.0549
 13   0     0.8974     1.0000     0.1026     0.9768     0.9234     0.0534
 14   0     0.9060     1.0000     0.0940     0.9756     0.9219     0.0537
 15   0     6.1374     6.0000    -0.1374     3.9700     3.6432     0.3268
 16   0     6.2022     6.0000    -0.2022     4.0213     3.6953     0.3260
 17   0     6.1369     6.0000    -0.1369     3.9780     3.6643     0.3137
 18   0     6.1421     6.0000    -0.1421     4.0330     3.7239     0.3091
 19   0     6.2198     6.0000    -0.2198     3.9890     3.6551     0.3339
 20   0     0.9119     1.0000     0.0881     0.9860     0.9305     0.0555
 21   0     0.9044     1.0000     0.0956     0.9833     0.9314     0.0519
 22   0     0.9133     1.0000     0.0867     0.9840     0.9326     0.0514
 23   0     0.9114     1.0000     0.0886     0.9826     0.9282     0.0544
 24   0     0.9224     1.0000     0.0776     0.9890     0.9380     0.0510
 25   0     0.9138     1.0000     0.0862     0.9840     0.9299     0.0541
 26   0     0.9194     1.0000     0.0806     0.9865     0.9363     0.0502
 27   0     0.9078     1.0000     0.0922     0.9883     0.9404     0.0479
 28   0     0.9299     1.0000     0.0701     0.9895     0.9328     0.0567
 29   0     0.9304     1.0000     0.0696     0.9900     0.9329     0.0571
 30   0     6.2116     6.0000    -0.2116     3.9864     3.6576     0.3288
 31   0     6.1457     6.0000    -0.1457     4.0159     3.6932     0.3227
 32   0     6.1829     6.0000    -0.1829     3.9964     3.6756     0.3208
 33   0     6.1209     6.0000    -0.1209     3.9828     3.6722     0.3106
 34   0     6.2051     6.0000    -0.2051     4.0053     3.6742     0.3311
 35   0     0.9173     1.0000     0.0827     0.9870     0.9346     0.0524
 36   0     0.9013     1.0000     0.0987     0.9814     0.9292     0.0522
 37   0     0.9092     1.0000     0.0908     0.9908     0.9396     0.0512
 38   0     0.9090     1.0000     0.0910     0.9875     0.9364     0.0511
 39   0     0.9230     1.0000     0.0770     0.9845     0.9313     0.0532
 40   0     0.9158     1.0000     0.0842     0.9858     0.9332     0.0526
 41   0     0.9185     1.0000     0.0815     0.9882     0.9367     0.0515
 42   0     0.9222     1.0000     0.0778     0.9870     0.9348     0.0522
 43   0     0.9138     1.0000     0.0862     0.9849     0.9300     0.0549
 44   0     0.9027     1.0000     0.0973     0.9828     0.9299     0.0529
 45   0     6.1628     6.0000    -0.1628     4.0085     3.6903     0.3182
 46   0     6.1489     6.0000    -0.1489     3.9622     3.6399     0.3223
 47   0     6.1717     6.0000    -0.1717     3.9861     3.6636     0.3225
 48   0     6.1170     6.0000    -0.1170     4.0094     3.6932     0.3162
 49   0     6.1792     6.0000    -0.1792     4.0584     3.7401     0.3183
 50   0     0.9193     1.0000     0.0807     0.9912     0.9396     0.0516
 51   0     0.9114     1.0000     0.0886     0.9809     0.9312     0.0497
 52   0     0.9813     1.0000     0.0187     1.0345     0.9782     0.0563
 53   0     0.9139     1.0000     0.0861     0.9862     0.9331     0.0531
 54   0     0.9269     1.0000     0.0731     0.9839     0.9316     0.0523
 55   0     0.9105     1.0000     0.0895     0.9868     0.9350     0.0518
 56   0     0.9187     1.0000     0.0813     0.9857     0.9358     0.0499
 57   0     0.9175     1.0000     0.0825     0.9871     0.9313     0.0558
 58   0     0.9278     1.0000     0.0722     0.9859     0.9327     0.0532
 59   0     0.8997     1.0000     0.1003     0.9814     0.9321     0.0493
 60   0     6.1484     6.0000    -0.1484     3.9900     3.6680     0.3220
 61   0     6.1473     6.0000    -0.1473     4.0255     3.7098     0.3157
 62   0     6.1547     6.0000    -0.1547     4.0150     3.6951     0.3199
 63   0     6.1962     6.0000    -0.1962     3.9987     3.6763     0.3224
 64   0     6.1463     6.0000    -0.1463     4.0239     3.7153     0.3086
 65   0     0.9580     1.0000     0.0420     1.0007     0.9434     0.0573
 66   0     0.9173     1.0000     0.0827     0.9818     0.9291     0.0527
 67   0     0.9206     1.0000     0.0794     0.9910     0.9410     0.0500
 68   0     0.9229     1.0000     0.0771     0.9857     0.9324     0.0533
 69   0     0.9137     1.0000     0.0863     0.9894     0.9390     0.0504
 70   0     0.9165     1.0000     0.0835     0.9899     0.9391     0.0508
 71   0     0.9145     1.0000     0.0855     0.9851     0.9349     0.0502
 72   0     0.9134     1.0000     0.0866     0.9837     0.9296     0.0541
 73   0     0.9133     1.0000     0.0867     0.9925     0.9448     0.0477
 74   0     0.9169     1.0000     0.0831     0.9822     0.9299     0.0523
 75   0     6.2311     6.0000    -0.2311     4.0247     3.6917     0.3330
 76   0     6.1227     6.0000    -0.1227     3.9866     3.6630     0.3236
 77   0     6.2001     6.0000    -0.2001     3.9657     3.6290     0.3367
 78   0     6.1554     6.0000    -0.1554     3.9631     3.6347     0.3284
 79   0     6.1521     6.0000    -0.1521     4.0022     3.6820     0.3202
 80   0     0.8939     1.0000     0.1061     0.9813     0.9280     0.0533
 81   0     0.9089     1.0000     0.0911     0.9851     0.9323     0.0528
 82   0     0.9039     1.0000     0.0961     0.9867     0.9357     0.0510
 83   0     0.9125     1.0000     0.0875     0.9897     0.9379     0.0518
 84   0     0.9209     1.0000     0.0791     0.9835     0.9270     0.0565
 85   0     0.9329     1.0000     0.0671     0.9863     0.9308     0.0555
 86   0     0.9138     1.0000     0.0862     0.9862     0.9325     0.0537
 87   0     0.9395     1.0000     0.0605     1.0115     0.9584     0.0531
 88   0     0.9030     1.0000     0.0970     0.9889     0.9409     0.0480
 89   0     0.9112     1.0000     0.0888     0.9849     0.9344     0.0505
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.894081
                0             6               4            6                0.902413
                0             6               5            1                0.958666
                0             6               6            1                0.950770
                1             6               2            6                0.929736
                1             6               7            1                0.965256
                1             6               8            1                0.943866
                2             6               3            6                0.895544
                2             6               9            1                0.953179
                2             6              10            1                0.953142
                3             6               4            6                0.907616
                3             6              11            1                0.952680
                3             6              12            1                0.958483
                4             6              13            1                0.938492
                4             6              14            1                0.951984
               15             6              16            6                0.911547
               15             6              19            6                0.893473
               15             6              20            1                0.945901
               15             6              21            1                0.948578
               16             6              17            6                0.895813
               16             6              22            1                0.960946
               16             6              23            1                0.942649
               17             6              18            6                0.920983
               17             6              24            1                0.965633
               17             6              25            1                0.944563
               18             6              19            6                0.903261
               18             6              26            1                0.957699
               18             6              27            1                0.954156
               19             6              28            1                0.954622
               19             6              29            1                0.946755
               30             6              31            6                0.917252
               30             6              34            6                0.886878
               30             6              35            1                0.952710
               30             6              36            1                0.945022
               31             6              32            6                0.912983
               31             6              37            1                0.943502
               31             6              38            1                0.942685
               32             6              33            6                0.903581
               32             6              39            1                0.952133
               32             6              40            1                0.949329
               33             6              34            6                0.914963
               33             6              41            1                0.950377
               33             6              42            1                0.949266
               34             6              43            1                0.947189
               34             6              44            1                0.948878
               45             6              46            6                0.889844
               45             6              49            6                0.922347
               45             6              50            1                0.957058
               45             6              51            1                0.955755
               46             6              47            6                0.879114
               46             6              52            1                0.971303
               46             6              53            1                0.950140
               47             6              48            6                0.906424
               47             6              54            1                0.957232
               47             6              55            1                0.950018
               48             6              49            6                0.928398
               48             6              56            1                0.960166
               48             6              57            1                0.942346
               49             6              58            1                0.961134
               49             6              59            1                0.950668
               60             6              61            6                0.910932
               60             6              64            6                0.908382
               60             6              65            1                0.951034
               60             6              66            1                0.945485
               61             6              62            6                0.917908
               61             6              67            1                0.956430
               61             6              68            1                0.952251
               62             6              63            6                0.904014
               62             6              69            1                0.953490
               62             6              70            1                0.953046
               63             6              64            6                0.909648
               63             6              71            1                0.958161
               63             6              72            1                0.951440
               64             6              73            1                0.958820
               64             6              74            1                0.954498
               75             6              76            6                0.911702
               75             6              79            6                0.899256
               75             6              80            1                0.946224
               75             6              81            1                0.951562
               76             6              77            6                0.888237
               76             6              82            1                0.947075
               76             6              83            1                0.954875
               77             6              78            6                0.884846
               77             6              84            1                0.947896
               77             6              85            1                0.951183
               78             6              79            6                0.893270
               78             6              86            1                0.945362
               78             6              87            1                0.961005
               79             6              88            1                0.956532
               79             6              89            1                0.960734
# -----------------------------------------------------------
$ 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     6.2787     6.0000    -0.2787     3.9976     3.6690     0.3286
  1   0     6.1709     6.0000    -0.1709     3.9888     3.6729     0.3159
  2   0     6.1854     6.0000    -0.1854     3.9969     3.6834     0.3135
  3   0     6.2484     6.0000    -0.2484     4.0104     3.6926     0.3178
  4   0     6.2217     6.0000    -0.2217     3.9564     3.6359     0.3205
  5   0     0.8920     1.0000     0.1080     0.9710     0.9176     0.0534
  6   0     0.8756     1.0000     0.1244     0.9715     0.9209     0.0506
  7   0     0.9009     1.0000     0.0991     1.0004     0.9514     0.0490
  8   0     0.8977     1.0000     0.1023     0.9895     0.9375     0.0520
  9   0     0.8878     1.0000     0.1122     0.9756     0.9258     0.0498
 10   0     0.8954     1.0000     0.1046     0.9895     0.9367     0.0528
 11   0     0.8811     1.0000     0.1189     0.9800     0.9328     0.0472
 12   0     0.8965     1.0000     0.1035     0.9770     0.9236     0.0534
 13   0     0.8785     1.0000     0.1215     0.9704     0.9180     0.0524
 14   0     0.8792     1.0000     0.1208     0.9689     0.9165     0.0524
 15   0     6.1878     6.0000    -0.1878     3.9619     3.6396     0.3223
 16   0     6.2475     6.0000    -0.2475     4.0004     3.6786     0.3218
 17   0     6.1912     6.0000    -0.1912     3.9636     3.6540     0.3096
 18   0     6.1972     6.0000    -0.1972     4.0127     3.7074     0.3053
 19   0     6.2724     6.0000    -0.2724     3.9816     3.6526     0.3290
 20   0     0.8876     1.0000     0.1124     0.9779     0.9236     0.0543
 21   0     0.8806     1.0000     0.1194     0.9770     0.9263     0.0507
 22   0     0.8890     1.0000     0.1110     0.9770     0.9267     0.0503
 23   0     0.8880     1.0000     0.1120     0.9743     0.9209     0.0534
 24   0     0.8952     1.0000     0.1048     0.9800     0.9301     0.0499
 25   0     0.8889     1.0000     0.1111     0.9761     0.9231     0.0530
 26   0     0.8933     1.0000     0.1067     0.9784     0.9292     0.0492
 27   0     0.8836     1.0000     0.1164     0.9811     0.9342     0.0469
 28   0     0.8973     1.0000     0.1027     0.9799     0.9247     0.0552
 29   0     0.9025     1.0000     0.0975     0.9839     0.9282     0.0557
 30   0     6.2580     6.0000    -0.2580     3.9842     3.6598     0.3244
 31   0     6.1926     6.0000    -0.1926     3.9973     3.6787     0.3186
 32   0     6.2309     6.0000    -0.2309     3.9785     3.6620     0.3165
 33   0     6.1759     6.0000    -0.1759     3.9670     3.6605     0.3065
 34   0     6.2469     6.0000    -0.2469     3.9855     3.6587     0.3268
 35   0     0.8913     1.0000     0.1087     0.9775     0.9263     0.0512
 36   0     0.8784     1.0000     0.1216     0.9746     0.9234     0.0512
 37   0     0.8876     1.0000     0.1124     0.9840     0.9338     0.0502
 38   0     0.8884     1.0000     0.1116     0.9817     0.9315     0.0502
 39   0     0.8978     1.0000     0.1022     0.9776     0.9254     0.0522
 40   0     0.8896     1.0000     0.1104     0.9771     0.9256     0.0515
 41   0     0.8938     1.0000     0.1062     0.9814     0.9310     0.0504
 42   0     0.8980     1.0000     0.1020     0.9800     0.9288     0.0512
 43   0     0.8900     1.0000     0.1100     0.9767     0.9228     0.0539
 44   0     0.8804     1.0000     0.1196     0.9752     0.9233     0.0519
 45   0     6.2222     6.0000    -0.2222     4.0029     3.6887     0.3142
 46   0     6.2036     6.0000    -0.2036     3.9470     3.6290     0.3180
 47   0     6.2253     6.0000    -0.2253     3.9786     3.6603     0.3183
 48   0     6.1702     6.0000    -0.1702     3.9923     3.6803     0.3120
 49   0     6.2297     6.0000    -0.2297     4.0350     3.7207     0.3143
 50   0     0.8884     1.0000     0.1116     0.9791     0.9288     0.0503
 51   0     0.8865     1.0000     0.1135     0.9749     0.9263     0.0486
 52   0     0.9457     1.0000     0.0543     1.0196     0.9648     0.0548
 53   0     0.8882     1.0000     0.1118     0.9791     0.9273     0.0518
 54   0     0.8996     1.0000     0.1004     0.9795     0.9285     0.0510
 55   0     0.8851     1.0000     0.1149     0.9779     0.9272     0.0507
 56   0     0.8943     1.0000     0.1057     0.9786     0.9297     0.0489
 57   0     0.8930     1.0000     0.1070     0.9795     0.9247     0.0548
 58   0     0.8987     1.0000     0.1013     0.9754     0.9233     0.0521
 59   0     0.8771     1.0000     0.1229     0.9748     0.9265     0.0483
 60   0     6.2119     6.0000    -0.2119     3.9783     3.6605     0.3178
 61   0     6.2026     6.0000    -0.2026     3.9965     3.6848     0.3117
 62   0     6.2076     6.0000    -0.2076     3.9922     3.6760     0.3162
 63   0     6.2458     6.0000    -0.2458     3.9820     3.6636     0.3184
 64   0     6.2002     6.0000    -0.2002     4.0099     3.7052     0.3047
 65   0     0.9213     1.0000     0.0787     0.9928     0.9372     0.0556
 66   0     0.8911     1.0000     0.1089     0.9740     0.9225     0.0515
 67   0     0.8954     1.0000     0.1046     0.9838     0.9348     0.0490
 68   0     0.8926     1.0000     0.1074     0.9828     0.9308     0.0520
 69   0     0.8891     1.0000     0.1109     0.9818     0.9325     0.0493
 70   0     0.8911     1.0000     0.1089     0.9831     0.9334     0.0497
 71   0     0.8871     1.0000     0.1129     0.9752     0.9261     0.0491
 72   0     0.8873     1.0000     0.1127     0.9743     0.9213     0.0530
 73   0     0.8870     1.0000     0.1130     0.9834     0.9368     0.0466
 74   0     0.8909     1.0000     0.1091     0.9734     0.9221     0.0513
 75   0     6.2722     6.0000    -0.2722     4.0148     3.6861     0.3287
 76   0     6.1746     6.0000    -0.1746     3.9748     3.6551     0.3197
 77   0     6.2492     6.0000    -0.2492     3.9487     3.6168     0.3319
 78   0     6.2158     6.0000    -0.2158     3.9497     3.6256     0.3241
 79   0     6.2048     6.0000    -0.2048     3.9910     3.6746     0.3164
 80   0     0.8730     1.0000     0.1270     0.9728     0.9204     0.0524
 81   0     0.8840     1.0000     0.1160     0.9743     0.9225     0.0518
 82   0     0.8821     1.0000     0.1179     0.9796     0.9296     0.0500
 83   0     0.8909     1.0000     0.1091     0.9831     0.9322     0.0509
 84   0     0.8939     1.0000     0.1061     0.9746     0.9193     0.0553
 85   0     0.9021     1.0000     0.0979     0.9812     0.9271     0.0541
 86   0     0.8886     1.0000     0.1114     0.9808     0.9282     0.0526
 87   0     0.9017     1.0000     0.0983     0.9972     0.9456     0.0516
 88   0     0.8802     1.0000     0.1198     0.9807     0.9337     0.0470
 89   0     0.8871     1.0000     0.1129     0.9758     0.9263     0.0495
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.901036
                0             6               4            6                0.912076
                0             6               5            1                0.943811
                0             6               6            1                0.934810
                1             6               2            6                0.935908
                1             6               7            1                0.953101
                1             6               8            1                0.931987
                2             6               3            6                0.904459
                2             6               9            1                0.936395
                2             6              10            1                0.940755
                3             6               4            6                0.919465
                3             6              11            1                0.938920
                3             6              12            1                0.943775
                4             6              13            1                0.921877
                4             6              14            1                0.937843
               15             6              16            6                0.917958
               15             6              19            6                0.911011
               15             6              20            1                0.930146
               15             6              21            1                0.937772
               16             6              17            6                0.905163
               16             6              22            1                0.948234
               16             6              23            1                0.926242
               17             6              18            6                0.930410
               17             6              24            1                0.954026
               17             6              25            1                0.929291
               18             6              19            6                0.905603
               18             6              26            1                0.945025
               18             6              27            1                0.942899
               19             6              28            1                0.941366
               19             6              29            1                0.929535
               30             6              31            6                0.925867
               30             6              34            6                0.898107
               30             6              35            1                0.941790
               30             6              36            1                0.933339
               31             6              32            6                0.917916
               31             6              37            1                0.932896
               31             6              38            1                0.931638
               32             6              33            6                0.913519
               32             6              39            1                0.940142
               32             6              40            1                0.935846
               33             6              34            6                0.923843
               33             6              41            1                0.938763
               33             6              42            1                0.935187
               34             6              43            1                0.933260
               34             6              44            1                0.933867
               45             6              46            6                0.899335
               45             6              49            6                0.934694
               45             6              50            1                0.941847
               45             6              51            1                0.946136
               46             6              47            6                0.886626
               46             6              52            1                0.955535
               46             6              53            1                0.936073
               47             6              48            6                0.923669
               47             6              54            1                0.944204
               47             6              55            1                0.935427
               48             6              49            6                0.929721
               48             6              56            1                0.948335
               48             6              57            1                0.926031
               49             6              58            1                0.945944
               49             6              59            1                0.937597
               60             6              61            6                0.913388
               60             6              64            6                0.920204
               60             6              65            1                0.937302
               60             6              66            1                0.934228
               61             6              62            6                0.920007
               61             6              67            1                0.944708
               61             6              68            1                0.942174
               62             6              63            6                0.909869
               62             6              69            1                0.942061
               62             6              70            1                0.942703
               63             6              64            6                0.919047
               63             6              71            1                0.945644
               63             6              72            1                0.935855
               64             6              73            1                0.946939
               64             6              74            1                0.939481
               75             6              76            6                0.922538
               75             6              79            6                0.910384
               75             6              80            1                0.931301
               75             6              81            1                0.937934
               76             6              77            6                0.894960
               76             6              82            1                0.936326
               76             6              83            1                0.941837
               77             6              78            6                0.892765
               77             6              84            1                0.933030
               77             6              85            1                0.941292
               78             6              79            6                0.899395
               78             6              86            1                0.934324
               78             6              87            1                0.946612
               79             6              88            1                0.946054
               79             6              89            1                0.947381
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1805709525
        Correlation Energy:       -5.0656733798
        Total MP2 Energy:      -1176.2462443323
# -----------------------------------------------------------
$ 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) :        0.2647359475
        Electronic Contribution:
                  0    
      0       0.036892
      1       0.536270
      2      -0.086764
        Nuclear Contribution:
                  0    
      0      -0.136568
      1      -0.506104
      2       0.088367
        Total Dipole moment:
                  0    
      0      -0.099676
      1       0.030167
      2       0.001603
# -----------------------------------------------------------
$ 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) :        0.2643150074
        Electronic Contribution:
                  0    
      0       0.036556
      1       0.534537
      2      -0.086743
        Nuclear Contribution:
                  0    
      0      -0.136568
      1      -0.506104
      2       0.088367
        Total Dipole moment:
                  0    
      0      -0.100011
      1       0.028433
      2       0.001624
# -----------------------------------------------------------
$ 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) :        0.2442898436
        Electronic Contribution:
                  0    
      0       0.041762
      1       0.515042
      2      -0.075373
        Nuclear Contribution:
                  0    
      0      -0.136568
      1      -0.506104
      2       0.088367
        Total Dipole moment:
                  0    
      0      -0.094806
      1       0.008939
      2       0.012994
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     23.370000000000   18.070000000000   18.840000000000
               1 C     22.500000000000   18.230000000000   17.530000000000
               2 C     22.490000000000   19.720000000000   17.230000000000
               3 C     23.650000000000   20.410000000000   17.980000000000
               4 C     24.110000000000   19.410000000000   19.010000000000
               5 H     24.060000000000   17.220000000000   18.660000000000
               6 H     22.800000000000   17.660000000000   19.680000000000
               7 H     21.590000000000   17.890000000000   17.910000000000
               8 H     22.900000000000   17.520000000000   16.800000000000
               9 H     21.610000000000   20.210000000000   17.600000000000
              10 H     22.510000000000   19.870000000000   16.150000000000
              11 H     23.390000000000   21.360000000000   18.350000000000
              12 H     24.430000000000   20.590000000000   17.210000000000
              13 H     24.090000000000   19.740000000000   20.090000000000
              14 H     25.190000000000   19.190000000000   18.940000000000
              15 C     20.950000000000   17.930000000000   13.880000000000
              16 C     20.100000000000   17.240000000000   12.740000000000
              17 C     21.150000000000   16.410000000000   12.030000000000
              18 C     22.560000000000   16.550000000000   12.580000000000
              19 C     22.420000000000   17.560000000000   13.730000000000
              20 H     20.610000000000   17.480000000000   14.880000000000
              21 H     20.750000000000   19.000000000000   13.820000000000
              22 H     19.640000000000   17.900000000000   12.010000000000
              23 H     19.220000000000   16.680000000000   13.190000000000
              24 H     21.070000000000   16.820000000000   11.070000000000
              25 H     20.860000000000   15.330000000000   11.900000000000
              26 H     23.210000000000   16.990000000000   11.860000000000
              27 H     23.010000000000   15.680000000000   12.920000000000
              28 H     23.020000000000   18.510000000000   13.530000000000
              29 H     22.900000000000   17.200000000000   14.700000000000
              30 C     18.790000000000   16.400000000000   18.840000000000
              31 C     18.590000000000   17.030000000000   20.260000000000
              32 C     17.020000000000   17.020000000000   20.460000000000
              33 C     16.460000000000   15.950000000000   19.630000000000
              34 C     17.460000000000   15.600000000000   18.510000000000
              35 H     19.630000000000   15.700000000000   18.890000000000
              36 H     19.010000000000   17.120000000000   18.040000000000
              37 H     18.880000000000   18.080000000000   20.230000000000
              38 H     19.040000000000   16.350000000000   20.990000000000
              39 H     16.520000000000   17.950000000000   20.130000000000
              40 H     16.720000000000   16.860000000000   21.510000000000
              41 H     15.540000000000   16.370000000000   19.230000000000
              42 H     16.300000000000   15.080000000000   20.280000000000
              43 H     17.070000000000   15.920000000000   17.490000000000
              44 H     17.710000000000   14.520000000000   18.370000000000
              45 C     26.160000000000   17.330000000000   15.460000000000
              46 C     26.130000000000   18.800000000000   15.990000000000
              47 C     27.650000000000   19.270000000000   15.930000000000
              48 C     28.490000000000   18.040000000000   15.700000000000
              49 C     27.590000000000   16.920000000000   15.140000000000
              50 H     25.560000000000   17.290000000000   14.570000000000
              51 H     25.710000000000   16.670000000000   16.150000000000
              52 H     25.750000000000   18.760000000000   16.960000000000
              53 H     25.360000000000   19.400000000000   15.550000000000
              54 H     27.870000000000   19.790000000000   16.840000000000
              55 H     27.770000000000   20.050000000000   15.190000000000
              56 H     28.860000000000   17.730000000000   16.640000000000
              57 H     29.350000000000   18.220000000000   14.940000000000
              58 H     27.810000000000   16.020000000000   15.720000000000
              59 H     27.950000000000   16.650000000000   14.180000000000
              60 C     22.900000000000   21.580000000000   13.180000000000
              61 C     24.330000000000   21.910000000000   12.830000000000
              62 C     24.380000000000   23.390000000000   12.320000000000
              63 C     22.880000000000   23.870000000000   12.330000000000
              64 C     22.030000000000   22.810000000000   13.030000000000
              65 H     22.910000000000   21.180000000000   14.240000000000
              66 H     22.590000000000   20.740000000000   12.540000000000
              67 H     24.610000000000   21.300000000000   12.010000000000
              68 H     24.960000000000   21.870000000000   13.720000000000
              69 H     24.800000000000   23.390000000000   11.330000000000
              70 H     24.960000000000   23.980000000000   13.000000000000
              71 H     22.600000000000   24.090000000000   11.350000000000
              72 H     22.710000000000   24.910000000000   12.710000000000
              73 H     21.140000000000   22.560000000000   12.610000000000
              74 H     21.700000000000   23.260000000000   13.970000000000
              75 C     27.770000000000   24.990000000000   17.780000000000
              76 C     27.630000000000   24.350000000000   16.330000000000
              77 C     27.240000000000   22.820000000000   16.510000000000
              78 C     27.000000000000   22.520000000000   17.990000000000
              79 C     27.340000000000   23.860000000000   18.820000000000
              80 H     27.300000000000   25.980000000000   18.030000000000
              81 H     28.800000000000   25.310000000000   17.960000000000
              82 H     28.560000000000   24.330000000000   15.760000000000
              83 H     26.770000000000   24.750000000000   15.800000000000
              84 H     28.100000000000   22.190000000000   16.100000000000
              85 H     26.400000000000   22.640000000000   15.790000000000
              86 H     27.580000000000   21.620000000000   18.300000000000
              87 H     25.960000000000   22.240000000000   18.040000000000
              88 H     27.960000000000   23.520000000000   19.560000000000
              89 H     26.430000000000   24.120000000000   19.300000000000
