-------------------------------------------------------------
----------------------- !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:    -1171.2134114497
# -----------------------------------------------------------
$ 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     6.1734     6.0000    -0.1734     3.8746     3.8746    -0.0000
  1   0     6.1827     6.0000    -0.1827     3.8963     3.8963    -0.0000
  2   0     6.1598     6.0000    -0.1598     3.8834     3.8834    -0.0000
  3   0     6.1591     6.0000    -0.1591     3.8886     3.8886     0.0000
  4   0     6.1953     6.0000    -0.1953     3.8693     3.8693     0.0000
  5   0     0.9278     1.0000     0.0722     0.9747     0.9747    -0.0000
  6   0     0.9110     1.0000     0.0890     0.9714     0.9714    -0.0000
  7   0     0.9114     1.0000     0.0886     0.9725     0.9725     0.0000
  8   0     0.9101     1.0000     0.0899     0.9778     0.9778    -0.0000
  9   0     0.8994     1.0000     0.1006     0.9685     0.9685     0.0000
 10   0     0.9084     1.0000     0.0916     0.9704     0.9704    -0.0000
 11   0     0.9097     1.0000     0.0903     0.9738     0.9738    -0.0000
 12   0     0.9066     1.0000     0.0934     0.9711     0.9711     0.0000
 13   0     0.9131     1.0000     0.0869     0.9762     0.9762     0.0000
 14   0     0.9280     1.0000     0.0720     0.9777     0.9777     0.0000
 15   0     6.1932     6.0000    -0.1932     3.8655     3.8655    -0.0000
 16   0     6.1179     6.0000    -0.1179     3.8925     3.8925     0.0000
 17   0     6.1639     6.0000    -0.1639     3.9230     3.9230     0.0000
 18   0     6.1229     6.0000    -0.1229     3.8974     3.8974    -0.0000
 19   0     6.1874     6.0000    -0.1874     3.8910     3.8910    -0.0000
 20   0     0.9138     1.0000     0.0862     0.9705     0.9705    -0.0000
 21   0     0.9208     1.0000     0.0792     0.9750     0.9750    -0.0000
 22   0     0.9388     1.0000     0.0612     0.9861     0.9861     0.0000
 23   0     0.9253     1.0000     0.0747     0.9899     0.9899    -0.0000
 24   0     0.9239     1.0000     0.0761     0.9750     0.9750     0.0000
 25   0     0.9172     1.0000     0.0828     0.9788     0.9788     0.0000
 26   0     0.9230     1.0000     0.0770     0.9795     0.9795     0.0000
 27   0     0.9064     1.0000     0.0936     0.9759     0.9759     0.0000
 28   0     0.9371     1.0000     0.0629     0.9853     0.9853    -0.0000
 29   0     0.9116     1.0000     0.0884     0.9785     0.9785    -0.0000
 30   0     6.1814     6.0000    -0.1814     3.9011     3.9011    -0.0000
 31   0     6.1535     6.0000    -0.1535     3.8743     3.8743     0.0000
 32   0     6.0655     6.0000    -0.0655     3.8922     3.8922     0.0000
 33   0     6.2084     6.0000    -0.2084     3.8955     3.8955    -0.0000
 34   0     6.1982     6.0000    -0.1982     3.8930     3.8930    -0.0000
 35   0     0.9065     1.0000     0.0935     0.9795     0.9795    -0.0000
 36   0     0.9173     1.0000     0.0827     0.9743     0.9743    -0.0000
 37   0     0.9224     1.0000     0.0776     0.9738     0.9738    -0.0000
 38   0     0.9241     1.0000     0.0759     0.9779     0.9779    -0.0000
 39   0     0.9714     1.0000     0.0286     1.0204     1.0204     0.0000
 40   0     0.9100     1.0000     0.0900     0.9759     0.9759    -0.0000
 41   0     0.9152     1.0000     0.0848     0.9743     0.9743    -0.0000
 42   0     0.9098     1.0000     0.0902     0.9769     0.9769    -0.0000
 43   0     0.9229     1.0000     0.0771     0.9762     0.9762    -0.0000
 44   0     0.8978     1.0000     0.1022     0.9708     0.9708    -0.0000
 45   0     6.1775     6.0000    -0.1775     3.8866     3.8866     0.0000
 46   0     6.1837     6.0000    -0.1837     3.8971     3.8971     0.0000
 47   0     6.1889     6.0000    -0.1889     3.8886     3.8886     0.0000
 48   0     6.0991     6.0000    -0.0991     3.9131     3.9131    -0.0000
 49   0     6.1940     6.0000    -0.1940     3.9066     3.9066    -0.0000
 50   0     0.9114     1.0000     0.0886     0.9733     0.9733     0.0000
 51   0     0.9166     1.0000     0.0834     0.9739     0.9739     0.0000
 52   0     0.9005     1.0000     0.0995     0.9740     0.9740     0.0000
 53   0     0.9287     1.0000     0.0713     0.9732     0.9732     0.0000
 54   0     0.9254     1.0000     0.0746     0.9731     0.9731    -0.0000
 55   0     0.9076     1.0000     0.0924     0.9722     0.9722    -0.0000
 56   0     0.9202     1.0000     0.0798     0.9836     0.9836    -0.0000
 57   0     0.9187     1.0000     0.0813     0.9769     0.9769    -0.0000
 58   0     0.9133     1.0000     0.0867     0.9797     0.9797    -0.0000
 59   0     0.9150     1.0000     0.0850     0.9765     0.9765    -0.0000
 60   0     6.1760     6.0000    -0.1760     3.8752     3.8752     0.0000
 61   0     6.1426     6.0000    -0.1426     3.8923     3.8923    -0.0000
 62   0     6.1650     6.0000    -0.1650     3.9161     3.9161    -0.0000
 63   0     6.1627     6.0000    -0.1627     3.8888     3.8888    -0.0000
 64   0     6.2069     6.0000    -0.2069     3.9140     3.9140     0.0000
 65   0     0.9059     1.0000     0.0941     0.9755     0.9755     0.0000
 66   0     0.9252     1.0000     0.0748     0.9767     0.9767    -0.0000
 67   0     0.9127     1.0000     0.0873     0.9736     0.9736    -0.0000
 68   0     0.9254     1.0000     0.0746     0.9849     0.9849     0.0000
 69   0     0.9270     1.0000     0.0730     0.9769     0.9769    -0.0000
 70   0     0.9072     1.0000     0.0928     0.9775     0.9775    -0.0000
 71   0     0.9182     1.0000     0.0818     0.9775     0.9775    -0.0000
 72   0     0.9053     1.0000     0.0947     0.9723     0.9723    -0.0000
 73   0     0.9124     1.0000     0.0876     0.9724     0.9724     0.0000
 74   0     0.9049     1.0000     0.0951     0.9688     0.9688     0.0000
 75   0     6.1734     6.0000    -0.1734     3.8985     3.8985    -0.0000
 76   0     6.1391     6.0000    -0.1391     3.8906     3.8906    -0.0000
 77   0     6.1523     6.0000    -0.1523     3.8890     3.8890    -0.0000
 78   0     6.1678     6.0000    -0.1678     3.9083     3.9083    -0.0000
 79   0     6.1888     6.0000    -0.1888     3.8895     3.8895    -0.0000
 80   0     0.9052     1.0000     0.0948     0.9697     0.9697     0.0000
 81   0     0.9310     1.0000     0.0690     0.9723     0.9723    -0.0000
 82   0     0.9072     1.0000     0.0928     0.9765     0.9765    -0.0000
 83   0     0.9391     1.0000     0.0609     0.9757     0.9757    -0.0000
 84   0     0.9120     1.0000     0.0880     0.9715     0.9715     0.0000
 85   0     0.9264     1.0000     0.0736     0.9791     0.9791    -0.0000
 86   0     0.9175     1.0000     0.0825     0.9810     0.9810    -0.0000
 87   0     0.9148     1.0000     0.0852     0.9721     0.9721    -0.0000
 88   0     0.9112     1.0000     0.0888     0.9678     0.9678     0.0000
 89   0     0.9129     1.0000     0.0871     0.9723     0.9723    -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                0.964904
                0             6               4            6                0.964656
                0             6               5            1                1.001789
                0             6               6            1                0.993166
                1             6               2            6                0.968752
                1             6               7            1                0.991638
                1             6               8            1                0.994037
                2             6               3            6                0.973384
                2             6               9            1                0.990274
                2             6              10            1                0.992801
                3             6               4            6                0.954735
                3             6              11            1                0.989998
                3             6              12            1                0.993080
                4             6              13            1                0.995552
                4             6              14            1                0.994995
               15             6              16            6                0.960967
               15             6              19            6                0.960609
               15             6              20            1                0.989853
               15             6              21            1                0.991307
               16             6              17            6                0.967259
               16             6              22            1                1.005676
               16             6              23            1                0.994707
               17             6              18            6                0.979888
               17             6              24            1                0.997836
               17             6              25            1                0.995498
               18             6              19            6                0.964333
               18             6              26            1                0.997770
               18             6              27            1                0.984850
               19             6              28            1                0.999879
               19             6              29            1                0.992679
               30             6              31            6                0.962519
               30             6              34            6                0.978753
               30             6              35            1                0.990353
               30             6              36            1                0.989139
               31             6              32            6                0.971427
               31             6              37            1                0.994483
               31             6              38            1                0.996020
               32             6              33            6                0.960779
               32             6              39            1                1.004626
               32             6              40            1                0.988654
               33             6              34            6                0.970149
               33             6              41            1                0.992388
               33             6              42            1                0.988277
               34             6              43            1                0.998776
               34             6              44            1                0.984907
               45             6              46            6                0.977268
               45             6              49            6                0.961831
               45             6              50            1                0.993286
               45             6              51            1                0.992064
               46             6              47            6                0.966214
               46             6              52            1                0.987617
               46             6              53            1                0.989297
               47             6              48            6                0.981107
               47             6              54            1                0.993536
               47             6              55            1                0.987851
               48             6              49            6                0.987935
               48             6              56            1                0.983792
               48             6              57            1                0.982683
               49             6              58            1                0.992589
               49             6              59            1                0.990652
               60             6              61            6                0.960103
               60             6              64            6                0.963149
               60             6              65            1                0.984394
               60             6              66            1                1.005424
               61             6              62            6                0.973038
               61             6              67            1                0.995129
               61             6              68            1                0.996222
               62             6              63            6                0.981157
               62             6              69            1                0.994747
               62             6              70            1                0.990210
               63             6              64            6                0.980318
               63             6              71            1                0.990268
               63             6              72            1                0.982006
               64             6              73            1                1.000564
               64             6              74            1                0.988647
               75             6              76            6                0.978998
               75             6              79            6                0.969562
               75             6              80            1                0.988162
               75             6              81            1                0.987957
               76             6              77            6                0.963409
               76             6              82            1                0.984257
               76             6              83            1                0.999702
               77             6              78            6                0.977903
               77             6              84            1                0.980096
               77             6              85            1                0.999365
               78             6              79            6                0.969758
               78             6              86            1                0.998146
               78             6              87            1                0.988107
               79             6              88            1                0.995796
               79             6              89            1                0.991782
# -----------------------------------------------------------
$ 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     6.1806     6.0000    -0.1806     3.9848     3.6612     0.3236
  1   0     6.1904     6.0000    -0.1904     4.0080     3.6795     0.3285
  2   0     6.1681     6.0000    -0.1681     3.9953     3.6660     0.3293
  3   0     6.1667     6.0000    -0.1667     3.9984     3.6804     0.3180
  4   0     6.2017     6.0000    -0.2017     3.9805     3.6557     0.3248
  5   0     0.9242     1.0000     0.0758     0.9850     0.9300     0.0550
  6   0     0.9072     1.0000     0.0928     0.9806     0.9267     0.0539
  7   0     0.9075     1.0000     0.0925     0.9818     0.9272     0.0546
  8   0     0.9065     1.0000     0.0935     0.9871     0.9365     0.0506
  9   0     0.8953     1.0000     0.1047     0.9773     0.9269     0.0504
 10   0     0.9045     1.0000     0.0955     0.9796     0.9253     0.0543
 11   0     0.9058     1.0000     0.0942     0.9830     0.9293     0.0537
 12   0     0.9029     1.0000     0.0971     0.9804     0.9320     0.0484
 13   0     0.9092     1.0000     0.0908     0.9854     0.9326     0.0528
 14   0     0.9254     1.0000     0.0746     0.9897     0.9330     0.0567
 15   0     6.2009     6.0000    -0.2009     3.9800     3.6470     0.3330
 16   0     6.1261     6.0000    -0.1261     4.0007     3.6813     0.3194
 17   0     6.1714     6.0000    -0.1714     4.0295     3.7168     0.3127
 18   0     6.1305     6.0000    -0.1305     4.0036     3.6854     0.3182
 19   0     6.1939     6.0000    -0.1939     4.0016     3.6699     0.3317
 20   0     0.9098     1.0000     0.0902     0.9800     0.9260     0.0540
 21   0     0.9173     1.0000     0.0827     0.9853     0.9295     0.0558
 22   0     0.9351     1.0000     0.0649     0.9960     0.9421     0.0539
 23   0     0.9208     1.0000     0.0792     0.9988     0.9484     0.0504
 24   0     0.9200     1.0000     0.0800     0.9846     0.9344     0.0502
 25   0     0.9135     1.0000     0.0865     0.9885     0.9403     0.0482
 26   0     0.9193     1.0000     0.0807     0.9892     0.9384     0.0508
 27   0     0.9026     1.0000     0.0974     0.9849     0.9346     0.0503
 28   0     0.9339     1.0000     0.0661     0.9964     0.9424     0.0540
 29   0     0.9079     1.0000     0.0921     0.9879     0.9365     0.0514
 30   0     6.1887     6.0000    -0.1887     4.0113     3.6842     0.3271
 31   0     6.1620     6.0000    -0.1620     3.9852     3.6644     0.3208
 32   0     6.0727     6.0000    -0.0727     3.9940     3.6807     0.3133
 33   0     6.2152     6.0000    -0.2152     4.0078     3.6786     0.3292
 34   0     6.2059     6.0000    -0.2059     4.0076     3.6738     0.3338
 35   0     0.9027     1.0000     0.0973     0.9884     0.9370     0.0514
 36   0     0.9136     1.0000     0.0864     0.9839     0.9305     0.0534
 37   0     0.9183     1.0000     0.0817     0.9834     0.9311     0.0523
 38   0     0.9200     1.0000     0.0800     0.9876     0.9366     0.0510
 39   0     0.9687     1.0000     0.0313     1.0329     0.9786     0.0543
 40   0     0.9060     1.0000     0.0940     0.9848     0.9333     0.0515
 41   0     0.9113     1.0000     0.0887     0.9838     0.9305     0.0533
 42   0     0.9060     1.0000     0.0940     0.9862     0.9341     0.0521
 43   0     0.9192     1.0000     0.0808     0.9862     0.9315     0.0547
 44   0     0.8939     1.0000     0.1061     0.9795     0.9282     0.0513
 45   0     6.1854     6.0000    -0.1854     3.9982     3.6679     0.3303
 46   0     6.1912     6.0000    -0.1912     4.0078     3.6806     0.3272
 47   0     6.1968     6.0000    -0.1968     4.0016     3.6718     0.3298
 48   0     6.1065     6.0000    -0.1065     4.0165     3.7054     0.3111
 49   0     6.2014     6.0000    -0.2014     4.0179     3.6927     0.3252
 50   0     0.9076     1.0000     0.0924     0.9826     0.9308     0.0518
 51   0     0.9129     1.0000     0.0871     0.9835     0.9288     0.0547
 52   0     0.8967     1.0000     0.1033     0.9828     0.9326     0.0502
 53   0     0.9249     1.0000     0.0751     0.9833     0.9269     0.0564
 54   0     0.9215     1.0000     0.0785     0.9831     0.9280     0.0551
 55   0     0.9038     1.0000     0.0962     0.9815     0.9282     0.0533
 56   0     0.9162     1.0000     0.0838     0.9928     0.9422     0.0506
 57   0     0.9149     1.0000     0.0851     0.9864     0.9350     0.0514
 58   0     0.9096     1.0000     0.0904     0.9892     0.9363     0.0529
 59   0     0.9109     1.0000     0.0891     0.9855     0.9346     0.0509
 60   0     6.1828     6.0000    -0.1828     3.9854     3.6639     0.3215
 61   0     6.1501     6.0000    -0.1501     3.9994     3.6898     0.3096
 62   0     6.1728     6.0000    -0.1728     4.0249     3.7015     0.3234
 63   0     6.1715     6.0000    -0.1715     4.0028     3.6710     0.3318
 64   0     6.2142     6.0000    -0.2142     4.0262     3.7023     0.3239
 65   0     0.9028     1.0000     0.0972     0.9860     0.9308     0.0552
 66   0     0.9212     1.0000     0.0788     0.9864     0.9347     0.0517
 67   0     0.9087     1.0000     0.0913     0.9829     0.9325     0.0504
 68   0     0.9217     1.0000     0.0783     0.9947     0.9457     0.0490
 69   0     0.9232     1.0000     0.0768     0.9868     0.9327     0.0541
 70   0     0.9033     1.0000     0.0967     0.9864     0.9353     0.0511
 71   0     0.9140     1.0000     0.0860     0.9869     0.9344     0.0525
 72   0     0.9016     1.0000     0.0984     0.9815     0.9276     0.0539
 73   0     0.9083     1.0000     0.0917     0.9814     0.9312     0.0502
 74   0     0.9013     1.0000     0.0987     0.9783     0.9243     0.0540
 75   0     6.1817     6.0000    -0.1817     4.0081     3.6917     0.3164
 76   0     6.1466     6.0000    -0.1466     3.9965     3.6848     0.3117
 77   0     6.1600     6.0000    -0.1600     3.9965     3.6786     0.3179
 78   0     6.1753     6.0000    -0.1753     4.0153     3.6989     0.3164
 79   0     6.1968     6.0000    -0.1968     4.0006     3.6815     0.3191
 80   0     0.9013     1.0000     0.0987     0.9786     0.9260     0.0526
 81   0     0.9270     1.0000     0.0730     0.9823     0.9284     0.0539
 82   0     0.9033     1.0000     0.0967     0.9855     0.9354     0.0501
 83   0     0.9352     1.0000     0.0648     0.9861     0.9313     0.0548
 84   0     0.9084     1.0000     0.0916     0.9810     0.9282     0.0528
 85   0     0.9224     1.0000     0.0776     0.9885     0.9365     0.0520
 86   0     0.9137     1.0000     0.0863     0.9902     0.9402     0.0500
 87   0     0.9111     1.0000     0.0889     0.9814     0.9285     0.0529
 88   0     0.9072     1.0000     0.0928     0.9769     0.9237     0.0532
 89   0     0.9092     1.0000     0.0908     0.9819     0.9293     0.0526
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.903526
                0             6               4            6                0.901916
                0             6               5            1                0.958042
                0             6               6            1                0.949826
                1             6               2            6                0.901013
                1             6               7            1                0.947437
                1             6               8            1                0.954035
                2             6               3            6                0.911407
                2             6               9            1                0.949728
                2             6              10            1                0.948688
                3             6               4            6                0.893342
                3             6              11            1                0.946914
                3             6              12            1                0.955080
                4             6              13            1                0.952947
                4             6              14            1                0.951355
               15             6              16            6                0.900315
               15             6              19            6                0.893001
               15             6              20            1                0.946433
               15             6              21            1                0.947211
               16             6              17            6                0.903235
               16             6              22            1                0.962467
               16             6              23            1                0.954670
               17             6              18            6                0.918229
               17             6              24            1                0.958135
               17             6              25            1                0.958252
               18             6              19            6                0.897151
               18             6              26            1                0.957588
               18             6              27            1                0.945166
               19             6              28            1                0.957776
               19             6              29            1                0.951889
               30             6              31            6                0.898716
               30             6              34            6                0.912822
               30             6              35            1                0.949482
               30             6              36            1                0.946839
               31             6              32            6                0.909170
               31             6              37            1                0.953055
               31             6              38            1                0.955972
               32             6              33            6                0.896988
               32             6              39            1                0.964175
               32             6              40            1                0.947206
               33             6              34            6                0.905000
               33             6              41            1                0.949620
               33             6              42            1                0.946823
               34             6              43            1                0.954883
               34             6              44            1                0.943725
               45             6              46            6                0.913763
               45             6              49            6                0.894717
               45             6              50            1                0.951961
               45             6              51            1                0.948302
               46             6              47            6                0.901814
               46             6              52            1                0.947789
               46             6              53            1                0.944335
               47             6              48            6                0.918117
               47             6              54            1                0.949704
               47             6              55            1                0.945475
               48             6              49            6                0.927716
               48             6              56            1                0.944172
               48             6              57            1                0.942232
               49             6              58            1                0.950262
               49             6              59            1                0.950005
               60             6              61            6                0.898867
               60             6              64            6                0.900904
               60             6              65            1                0.941363
               60             6              66            1                0.964028
               61             6              62            6                0.912879
               61             6              67            1                0.955399
               61             6              68            1                0.958342
               62             6              63            6                0.914059
               62             6              69            1                0.951796
               62             6              70            1                0.949612
               63             6              64            6                0.917681
               63             6              71            1                0.948550
               63             6              72            1                0.938900
               64             6              73            1                0.960489
               64             6              74            1                0.945480
               75             6              76            6                0.920000
               75             6              79            6                0.910093
               75             6              80            1                0.946018
               75             6              81            1                0.945557
               76             6              77            6                0.902853
               76             6              82            1                0.944953
               76             6              83            1                0.956510
               77             6              78            6                0.914944
               77             6              84            1                0.938497
               77             6              85            1                0.957950
               78             6              79            6                0.908827
               78             6              86            1                0.958519
               78             6              87            1                0.945944
               79             6              88            1                0.952768
               79             6              89            1                0.950177
# -----------------------------------------------------------
$ 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     6.2228     6.0000    -0.2228     3.9659     3.6468     0.3191
  1   0     6.2403     6.0000    -0.2403     3.9957     3.6715     0.3242
  2   0     6.2167     6.0000    -0.2167     3.9859     3.6607     0.3252
  3   0     6.2223     6.0000    -0.2223     3.9994     3.6857     0.3137
  4   0     6.2546     6.0000    -0.2546     3.9701     3.6496     0.3205
  5   0     0.8964     1.0000     0.1036     0.9787     0.9251     0.0536
  6   0     0.8828     1.0000     0.1172     0.9718     0.9189     0.0529
  7   0     0.8855     1.0000     0.1145     0.9728     0.9191     0.0537
  8   0     0.8817     1.0000     0.1183     0.9823     0.9328     0.0495
  9   0     0.8769     1.0000     0.1231     0.9701     0.9206     0.0495
 10   0     0.8791     1.0000     0.1209     0.9722     0.9191     0.0531
 11   0     0.8819     1.0000     0.1181     0.9735     0.9208     0.0527
 12   0     0.8770     1.0000     0.1230     0.9740     0.9268     0.0472
 13   0     0.8800     1.0000     0.1200     0.9741     0.9225     0.0516
 14   0     0.9004     1.0000     0.0996     0.9852     0.9299     0.0553
 15   0     6.2476     6.0000    -0.2476     3.9648     3.6364     0.3284
 16   0     6.1881     6.0000    -0.1881     3.9812     3.6656     0.3156
 17   0     6.2252     6.0000    -0.2252     3.9998     3.6908     0.3090
 18   0     6.1867     6.0000    -0.1867     3.9878     3.6734     0.3144
 19   0     6.2458     6.0000    -0.2458     3.9890     3.6615     0.3275
 20   0     0.8849     1.0000     0.1151     0.9719     0.9190     0.0529
 21   0     0.8902     1.0000     0.1098     0.9791     0.9247     0.0544
 22   0     0.9041     1.0000     0.0959     0.9882     0.9358     0.0524
 23   0     0.8930     1.0000     0.1070     0.9899     0.9407     0.0492
 24   0     0.8917     1.0000     0.1083     0.9761     0.9270     0.0491
 25   0     0.8875     1.0000     0.1125     0.9809     0.9338     0.0471
 26   0     0.8916     1.0000     0.1084     0.9822     0.9325     0.0497
 27   0     0.8816     1.0000     0.1184     0.9788     0.9294     0.0494
 28   0     0.9005     1.0000     0.0995     0.9878     0.9352     0.0526
 29   0     0.8833     1.0000     0.1167     0.9784     0.9282     0.0502
 30   0     6.2295     6.0000    -0.2295     3.9921     3.6692     0.3229
 31   0     6.2119     6.0000    -0.2119     3.9674     3.6508     0.3166
 32   0     6.1395     6.0000    -0.1395     3.9868     3.6773     0.3095
 33   0     6.2577     6.0000    -0.2577     4.0032     3.6785     0.3247
 34   0     6.2552     6.0000    -0.2552     3.9899     3.6604     0.3295
 35   0     0.8805     1.0000     0.1195     0.9798     0.9294     0.0504
 36   0     0.8906     1.0000     0.1094     0.9786     0.9262     0.0524
 37   0     0.8929     1.0000     0.1071     0.9779     0.9268     0.0511
 38   0     0.8953     1.0000     0.1047     0.9786     0.9287     0.0499
 39   0     0.9359     1.0000     0.0641     1.0269     0.9740     0.0529
 40   0     0.8845     1.0000     0.1155     0.9764     0.9258     0.0506
 41   0     0.8844     1.0000     0.1156     0.9758     0.9238     0.0520
 42   0     0.8831     1.0000     0.1169     0.9775     0.9264     0.0511
 43   0     0.8893     1.0000     0.1107     0.9756     0.9222     0.0534
 44   0     0.8727     1.0000     0.1273     0.9714     0.9210     0.0504
 45   0     6.2302     6.0000    -0.2302     3.9878     3.6616     0.3262
 46   0     6.2352     6.0000    -0.2352     3.9978     3.6750     0.3228
 47   0     6.2388     6.0000    -0.2388     3.9852     3.6598     0.3254
 48   0     6.1670     6.0000    -0.1670     4.0119     3.7048     0.3071
 49   0     6.2492     6.0000    -0.2492     4.0100     3.6891     0.3209
 50   0     0.8846     1.0000     0.1154     0.9739     0.9231     0.0508
 51   0     0.8901     1.0000     0.1099     0.9753     0.9216     0.0537
 52   0     0.8753     1.0000     0.1247     0.9745     0.9253     0.0492
 53   0     0.9006     1.0000     0.0994     0.9744     0.9189     0.0555
 54   0     0.8969     1.0000     0.1031     0.9744     0.9203     0.0541
 55   0     0.8807     1.0000     0.1193     0.9727     0.9205     0.0522
 56   0     0.8900     1.0000     0.1100     0.9839     0.9344     0.0495
 57   0     0.8922     1.0000     0.1078     0.9789     0.9284     0.0505
 58   0     0.8855     1.0000     0.1145     0.9802     0.9284     0.0518
 59   0     0.8840     1.0000     0.1160     0.9759     0.9262     0.0497
 60   0     6.2243     6.0000    -0.2243     3.9765     3.6593     0.3172
 61   0     6.2071     6.0000    -0.2071     3.9999     3.6943     0.3056
 62   0     6.2177     6.0000    -0.2177     4.0079     3.6888     0.3191
 63   0     6.2174     6.0000    -0.2174     3.9915     3.6641     0.3274
 64   0     6.2597     6.0000    -0.2597     4.0169     3.6976     0.3193
 65   0     0.8825     1.0000     0.1175     0.9821     0.9282     0.0539
 66   0     0.8947     1.0000     0.1053     0.9747     0.9242     0.0505
 67   0     0.8853     1.0000     0.1147     0.9748     0.9255     0.0493
 68   0     0.8944     1.0000     0.1056     0.9839     0.9360     0.0479
 69   0     0.9005     1.0000     0.0995     0.9778     0.9246     0.0532
 70   0     0.8810     1.0000     0.1190     0.9784     0.9283     0.0501
 71   0     0.8903     1.0000     0.1097     0.9764     0.9250     0.0514
 72   0     0.8809     1.0000     0.1191     0.9769     0.9241     0.0528
 73   0     0.8838     1.0000     0.1162     0.9719     0.9228     0.0491
 74   0     0.8779     1.0000     0.1221     0.9720     0.9192     0.0528
 75   0     6.2238     6.0000    -0.2238     3.9988     3.6869     0.3119
 76   0     6.1984     6.0000    -0.1984     3.9853     3.6778     0.3075
 77   0     6.2111     6.0000    -0.2111     3.9858     3.6719     0.3139
 78   0     6.2235     6.0000    -0.2235     4.0035     3.6912     0.3123
 79   0     6.2442     6.0000    -0.2442     3.9945     3.6796     0.3149
 80   0     0.8792     1.0000     0.1208     0.9712     0.9196     0.0516
 81   0     0.9023     1.0000     0.0977     0.9732     0.9203     0.0529
 82   0     0.8801     1.0000     0.1199     0.9771     0.9280     0.0491
 83   0     0.9072     1.0000     0.0928     0.9776     0.9239     0.0537
 84   0     0.8873     1.0000     0.1127     0.9756     0.9237     0.0519
 85   0     0.8955     1.0000     0.1045     0.9796     0.9287     0.0509
 86   0     0.8886     1.0000     0.1114     0.9813     0.9323     0.0490
 87   0     0.8885     1.0000     0.1115     0.9745     0.9225     0.0520
 88   0     0.8851     1.0000     0.1149     0.9693     0.9170     0.0523
 89   0     0.8842     1.0000     0.1158     0.9742     0.9228     0.0514
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.916105
                0             6               4            6                0.909676
                0             6               5            1                0.945164
                0             6               6            1                0.932652
                1             6               2            6                0.905557
                1             6               7            1                0.930162
                1             6               8            1                0.944876
                2             6               3            6                0.925151
                2             6               9            1                0.935858
                2             6              10            1                0.934323
                3             6               4            6                0.905648
                3             6              11            1                0.930581
                3             6              12            1                0.946130
                4             6              13            1                0.938566
                4             6              14            1                0.937530
               15             6              16            6                0.914473
               15             6              19            6                0.897475
               15             6              20            1                0.933017
               15             6              21            1                0.932963
               16             6              17            6                0.903739
               16             6              22            1                0.949731
               16             6              23            1                0.938895
               17             6              18            6                0.923471
               17             6              24            1                0.947609
               17             6              25            1                0.946883
               18             6              19            6                0.904381
               18             6              26            1                0.947891
               18             6              27            1                0.933191
               19             6              28            1                0.948358
               19             6              29            1                0.938071
               30             6              31            6                0.906156
               30             6              34            6                0.919333
               30             6              35            1                0.936021
               30             6              36            1                0.934889
               31             6              32            6                0.921291
               31             6              37            1                0.939101
               31             6              38            1                0.941852
               32             6              33            6                0.908309
               32             6              39            1                0.954325
               32             6              40            1                0.930926
               33             6              34            6                0.916070
               33             6              41            1                0.938287
               33             6              42            1                0.931914
               34             6              43            1                0.939604
               34             6              44            1                0.930129
               45             6              46            6                0.925107
               45             6              49            6                0.905181
               45             6              50            1                0.938672
               45             6              51            1                0.934399
               46             6              47            6                0.913680
               46             6              52            1                0.935084
               46             6              53            1                0.928554
               47             6              48            6                0.927648
               47             6              54            1                0.933942
               47             6              55            1                0.930672
               48             6              49            6                0.939016
               48             6              56            1                0.932229
               48             6              57            1                0.930936
               49             6              58            1                0.936414
               49             6              59            1                0.937635
               60             6              61            6                0.914545
               60             6              64            6                0.913121
               60             6              65            1                0.925985
               60             6              66            1                0.949328
               61             6              62            6                0.927317
               61             6              67            1                0.939525
               61             6              68            1                0.946674
               62             6              63            6                0.920856
               62             6              69            1                0.934199
               62             6              70            1                0.936573
               63             6              64            6                0.931355
               63             6              71            1                0.932518
               63             6              72            1                0.924548
               64             6              73            1                0.945673
               64             6              74            1                0.927112
               75             6              76            6                0.932989
               75             6              79            6                0.926329
               75             6              80            1                0.929659
               75             6              81            1                0.929166
               76             6              77            6                0.914463
               76             6              82            1                0.930656
               76             6              83            1                0.941095
               77             6              78            6                0.923775
               77             6              84            1                0.924504
               77             6              85            1                0.946126
               78             6              79            6                0.921238
               78             6              86            1                0.946643
               78             6              87            1                0.931952
               79             6              88            1                0.936967
               79             6              89            1                0.936187
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2134114497
        Correlation Energy:       -5.0634017394
        Total MP2 Energy:      -1176.2768131891
# -----------------------------------------------------------
$ 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) :        0.1642071119
        Electronic Contribution:
                  0    
      0      -0.476313
      1      -0.576387
      2      -0.882800
        Nuclear Contribution:
                  0    
      0       0.465937
      1       0.626604
      2       0.843506
        Total Dipole moment:
                  0    
      0      -0.010376
      1       0.050218
      2      -0.039294
# -----------------------------------------------------------
$ 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) :        0.1650931972
        Electronic Contribution:
                  0    
      0      -0.475904
      1      -0.574746
      2      -0.881322
        Nuclear Contribution:
                  0    
      0       0.465937
      1       0.626604
      2       0.843506
        Total Dipole moment:
                  0    
      0      -0.009967
      1       0.051858
      2      -0.037816
# -----------------------------------------------------------
$ 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) :        0.1658087433
        Electronic Contribution:
                  0    
      0      -0.454715
      1      -0.562472
      2      -0.847565
        Nuclear Contribution:
                  0    
      0       0.465937
      1       0.626604
      2       0.843506
        Total Dipole moment:
                  0    
      0       0.011221
      1       0.064132
      2      -0.004059
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     22.600000000000   18.430000000000   23.060000000000
               1 C     23.220000000000   18.820000000000   21.720000000000
               2 C     22.710000000000   17.680000000000   20.690000000000
               3 C     21.670000000000   16.800000000000   21.410000000000
               4 C     21.670000000000   17.210000000000   22.900000000000
               5 H     22.020000000000   19.270000000000   23.470000000000
               6 H     23.330000000000   18.280000000000   23.900000000000
               7 H     24.360000000000   18.830000000000   21.800000000000
               8 H     23.010000000000   19.820000000000   21.440000000000
               9 H     23.590000000000   17.140000000000   20.350000000000
              10 H     22.310000000000   18.170000000000   19.750000000000
              11 H     21.910000000000   15.710000000000   21.260000000000
              12 H     20.750000000000   16.850000000000   20.970000000000
              13 H     21.960000000000   16.450000000000   23.640000000000
              14 H     20.710000000000   17.480000000000   23.340000000000
              15 C     16.780000000000   16.830000000000   23.160000000000
              16 C     16.090000000000   17.130000000000   21.840000000000
              17 C     16.530000000000   16.060000000000   20.790000000000
              18 C     17.550000000000   15.110000000000   21.420000000000
              19 C     17.830000000000   15.630000000000   22.920000000000
              20 H     16.080000000000   16.560000000000   23.990000000000
              21 H     17.260000000000   17.740000000000   23.590000000000
              22 H     16.420000000000   18.080000000000   21.430000000000
              23 H     15.020000000000   17.260000000000   21.890000000000
              24 H     16.960000000000   16.550000000000   19.960000000000
              25 H     15.720000000000   15.580000000000   20.400000000000
              26 H     18.490000000000   15.260000000000   20.960000000000
              27 H     17.230000000000   14.070000000000   21.420000000000
              28 H     18.830000000000   15.990000000000   23.070000000000
              29 H     17.710000000000   14.900000000000   23.700000000000
              30 C     19.640000000000   22.000000000000   22.130000000000
              31 C     20.360000000000   21.690000000000   20.800000000000
              32 C     19.940000000000   20.360000000000   20.170000000000
              33 C     18.660000000000   19.890000000000   20.950000000000
              34 C     18.350000000000   21.080000000000   21.930000000000
              35 H     19.430000000000   23.080000000000   22.200000000000
              36 H     20.300000000000   21.710000000000   22.980000000000
              37 H     21.430000000000   21.740000000000   21.000000000000
              38 H     20.070000000000   22.510000000000   20.180000000000
              39 H     20.710000000000   19.670000000000   20.280000000000
              40 H     19.820000000000   20.550000000000   19.090000000000
              41 H     18.830000000000   18.960000000000   21.520000000000
              42 H     17.770000000000   19.680000000000   20.350000000000
              43 H     18.060000000000   20.600000000000   22.870000000000
              44 H     17.430000000000   21.640000000000   21.740000000000
              45 C     19.760000000000   11.750000000000   26.450000000000
              46 C     20.880000000000   10.700000000000   26.230000000000
              47 C     22.030000000000   11.530000000000   25.550000000000
              48 C     21.880000000000   13.020000000000   25.930000000000
              49 C     20.400000000000   13.190000000000   26.100000000000
              50 H     19.390000000000   11.680000000000   27.470000000000
              51 H     18.850000000000   11.520000000000   25.810000000000
              52 H     20.530000000000    9.810000000000   25.730000000000
              53 H     21.280000000000   10.290000000000   27.230000000000
              54 H     21.890000000000   11.370000000000   24.450000000000
              55 H     23.070000000000   11.130000000000   25.680000000000
              56 H     22.200000000000   13.660000000000   25.130000000000
              57 H     22.480000000000   13.150000000000   26.840000000000
              58 H     19.790000000000   13.490000000000   25.230000000000
              59 H     20.210000000000   13.930000000000   26.860000000000
              60 C     19.680000000000   17.330000000000   26.340000000000
              61 C     18.530000000000   16.970000000000   27.290000000000
              62 C     17.800000000000   18.230000000000   27.640000000000
              63 C     18.160000000000   19.200000000000   26.430000000000
              64 C     19.580000000000   18.810000000000   25.980000000000
              65 H     19.930000000000   16.700000000000   25.450000000000
              66 H     20.580000000000   17.320000000000   26.910000000000
              67 H     18.960000000000   16.370000000000   28.070000000000
              68 H     17.810000000000   16.370000000000   26.890000000000
              69 H     18.240000000000   18.630000000000   28.590000000000
              70 H     16.710000000000   18.150000000000   27.760000000000
              71 H     18.120000000000   20.210000000000   26.850000000000
              72 H     17.300000000000   19.150000000000   25.700000000000
              73 H     20.360000000000   19.310000000000   26.500000000000
              74 H     19.730000000000   19.230000000000   24.960000000000
              75 C     11.530000000000   16.800000000000   22.330000000000
              76 C     11.310000000000   15.760000000000   21.310000000000
              77 C     10.800000000000   16.420000000000   20.050000000000
              78 C     11.370000000000   17.850000000000   20.100000000000
              79 C     11.670000000000   18.080000000000   21.570000000000
              80 H     12.330000000000   16.590000000000   23.090000000000
              81 H     10.620000000000   16.790000000000   22.970000000000
              82 H     10.820000000000   14.880000000000   21.700000000000
              83 H     12.290000000000   15.370000000000   20.980000000000
              84 H      9.700000000000   16.500000000000   19.850000000000
              85 H     11.270000000000   15.840000000000   19.260000000000
              86 H     10.660000000000   18.590000000000   19.810000000000
              87 H     12.240000000000   17.920000000000   19.400000000000
              88 H     11.010000000000   18.910000000000   21.940000000000
              89 H     12.650000000000   18.510000000000   21.780000000000
