-------------------------------------------------------------
----------------------- !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:    -1171.1745068606
# -----------------------------------------------------------
$ 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     6.2136     6.0000    -0.2136     3.8743     3.8743     0.0000
  1   0     6.1015     6.0000    -0.1015     3.8799     3.8799     0.0000
  2   0     6.1782     6.0000    -0.1782     3.9241     3.9241     0.0000
  3   0     6.1408     6.0000    -0.1408     3.8914     3.8914     0.0000
  4   0     6.1969     6.0000    -0.1969     3.8792     3.8792     0.0000
  5   0     0.9094     1.0000     0.0906     0.9731     0.9731     0.0000
  6   0     0.9187     1.0000     0.0813     0.9766     0.9766     0.0000
  7   0     0.9181     1.0000     0.0819     0.9756     0.9756     0.0000
  8   0     0.9337     1.0000     0.0663     0.9853     0.9853     0.0000
  9   0     0.9153     1.0000     0.0847     0.9788     0.9788    -0.0000
 10   0     0.9230     1.0000     0.0770     0.9711     0.9711     0.0000
 11   0     0.9084     1.0000     0.0916     0.9728     0.9728    -0.0000
 12   0     0.9205     1.0000     0.0795     0.9804     0.9804    -0.0000
 13   0     0.9166     1.0000     0.0834     0.9753     0.9753    -0.0000
 14   0     0.9098     1.0000     0.0902     0.9758     0.9758    -0.0000
 15   0     6.1418     6.0000    -0.1418     3.9243     3.9243     0.0000
 16   0     6.1775     6.0000    -0.1775     3.9563     3.9563     0.0000
 17   0     6.1452     6.0000    -0.1452     3.8672     3.8672     0.0000
 18   0     6.1353     6.0000    -0.1353     3.8404     3.8404    -0.0000
 19   0     6.1565     6.0000    -0.1565     3.9205     3.9205     0.0000
 20   0     0.8979     1.0000     0.1021     0.9654     0.9654    -0.0000
 21   0     0.9185     1.0000     0.0815     0.9751     0.9751    -0.0000
 22   0     0.9648     1.0000     0.0352     0.9913     0.9913     0.0000
 23   0     0.9131     1.0000     0.0869     0.9756     0.9756     0.0000
 24   0     0.9366     1.0000     0.0634     0.9674     0.9674    -0.0000
 25   0     0.9237     1.0000     0.0763     0.9677     0.9677    -0.0000
 26   0     0.8898     1.0000     0.1102     0.9752     0.9752    -0.0000
 27   0     0.9884     1.0000     0.0116     0.9920     0.9920     0.0000
 28   0     0.9155     1.0000     0.0845     0.9683     0.9683     0.0000
 29   0     0.8979     1.0000     0.1021     0.9724     0.9724     0.0000
 30   0     6.1383     6.0000    -0.1383     3.8991     3.8991     0.0000
 31   0     6.1741     6.0000    -0.1741     3.9048     3.9048     0.0000
 32   0     6.1390     6.0000    -0.1390     3.8494     3.8494     0.0000
 33   0     6.1475     6.0000    -0.1475     3.8832     3.8832    -0.0000
 34   0     6.1932     6.0000    -0.1932     3.9018     3.9018     0.0000
 35   0     0.9133     1.0000     0.0867     0.9739     0.9739     0.0000
 36   0     0.9260     1.0000     0.0740     0.9764     0.9764     0.0000
 37   0     0.9220     1.0000     0.0780     0.9734     0.9734     0.0000
 38   0     0.9082     1.0000     0.0918     0.9740     0.9740    -0.0000
 39   0     0.9630     1.0000     0.0370     1.0029     1.0029     0.0000
 40   0     0.9235     1.0000     0.0765     0.9772     0.9772    -0.0000
 41   0     0.9259     1.0000     0.0741     0.9742     0.9742    -0.0000
 42   0     0.9090     1.0000     0.0910     0.9765     0.9765    -0.0000
 43   0     0.9222     1.0000     0.0778     0.9702     0.9702     0.0000
 44   0     0.8989     1.0000     0.1011     0.9750     0.9750     0.0000
 45   0     6.1940     6.0000    -0.1940     3.9162     3.9162     0.0000
 46   0     6.1622     6.0000    -0.1622     3.8674     3.8674    -0.0000
 47   0     6.1778     6.0000    -0.1778     3.8873     3.8873    -0.0000
 48   0     6.1689     6.0000    -0.1689     3.9408     3.9408     0.0000
 49   0     6.0896     6.0000    -0.0896     3.8954     3.8954    -0.0000
 50   0     0.9231     1.0000     0.0769     0.9740     0.9740     0.0000
 51   0     0.9129     1.0000     0.0871     0.9749     0.9749    -0.0000
 52   0     0.9232     1.0000     0.0768     0.9724     0.9724    -0.0000
 53   0     0.9120     1.0000     0.0880     0.9772     0.9772    -0.0000
 54   0     0.8980     1.0000     0.1020     0.9690     0.9690     0.0000
 55   0     0.9436     1.0000     0.0564     0.9706     0.9706    -0.0000
 56   0     0.9103     1.0000     0.0897     0.9769     0.9769     0.0000
 57   0     0.9127     1.0000     0.0873     0.9676     0.9676    -0.0000
 58   0     0.9157     1.0000     0.0843     0.9757     0.9757    -0.0000
 59   0     0.9537     1.0000     0.0463     0.9993     0.9993     0.0000
 60   0     6.1419     6.0000    -0.1419     3.8947     3.8947     0.0000
 61   0     6.1930     6.0000    -0.1930     3.8954     3.8954     0.0000
 62   0     6.1505     6.0000    -0.1505     3.8845     3.8845     0.0000
 63   0     6.1151     6.0000    -0.1151     3.8475     3.8475    -0.0000
 64   0     6.1824     6.0000    -0.1824     3.9123     3.9123    -0.0000
 65   0     0.9077     1.0000     0.0923     0.9828     0.9828    -0.0000
 66   0     0.9149     1.0000     0.0851     0.9758     0.9758    -0.0000
 67   0     0.9233     1.0000     0.0767     0.9749     0.9749    -0.0000
 68   0     0.9120     1.0000     0.0880     0.9740     0.9740     0.0000
 69   0     0.9326     1.0000     0.0674     0.9780     0.9780     0.0000
 70   0     0.9090     1.0000     0.0910     0.9730     0.9730    -0.0000
 71   0     0.9212     1.0000     0.0788     0.9670     0.9670     0.0000
 72   0     0.9666     1.0000     0.0334     0.9829     0.9829    -0.0000
 73   0     0.9283     1.0000     0.0717     0.9768     0.9768     0.0000
 74   0     0.8976     1.0000     0.1024     0.9718     0.9718     0.0000
 75   0     6.0995     6.0000    -0.0995     3.8722     3.8722    -0.0000
 76   0     6.2416     6.0000    -0.2416     3.8933     3.8933    -0.0000
 77   0     6.1208     6.0000    -0.1208     3.8607     3.8607    -0.0000
 78   0     6.1841     6.0000    -0.1841     3.8958     3.8958    -0.0000
 79   0     6.1853     6.0000    -0.1853     3.9232     3.9232    -0.0000
 80   0     0.8911     1.0000     0.1089     0.9664     0.9664     0.0000
 81   0     0.9275     1.0000     0.0725     0.9897     0.9897     0.0000
 82   0     0.9146     1.0000     0.0854     0.9676     0.9676    -0.0000
 83   0     0.9304     1.0000     0.0696     0.9766     0.9766    -0.0000
 84   0     0.9276     1.0000     0.0724     0.9846     0.9846    -0.0000
 85   0     0.9234     1.0000     0.0766     0.9763     0.9763    -0.0000
 86   0     0.9242     1.0000     0.0758     0.9740     0.9740    -0.0000
 87   0     0.9017     1.0000     0.0983     0.9730     0.9730    -0.0000
 88   0     0.9076     1.0000     0.0924     0.9710     0.9710    -0.0000
 89   0     0.9157     1.0000     0.0843     0.9839     0.9839    -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                0.965899
                0             6               4            6                0.963305
                0             6               5            1                0.981651
                0             6               6            1                0.994283
                1             6               2            6                0.982078
                1             6               7            1                0.985961
                1             6               8            1                0.994010
                2             6               3            6                0.980129
                2             6               9            1                0.993459
                2             6              10            1                0.996309
                3             6               4            6                0.966368
                3             6              11            1                0.982814
                3             6              12            1                0.995873
                4             6              13            1                0.991972
                4             6              14            1                0.993567
               15             6              16            6                0.983027
               15             6              19            6                0.994597
               15             6              20            1                0.986422
               15             6              21            1                1.011202
               16             6              17            6                0.985089
               16             6              22            1                1.003844
               16             6              23            1                0.997997
               17             6              18            6                0.943685
               17             6              24            1                0.999711
               17             6              25            1                0.992678
               18             6              19            6                0.951258
               18             6              26            1                0.999886
               18             6              27            1                1.014724
               19             6              28            1                0.997366
               19             6              29            1                0.991818
               30             6              31            6                0.980453
               30             6              34            6                0.972414
               30             6              35            1                0.980503
               30             6              36            1                0.998661
               31             6              32            6                0.954057
               31             6              37            1                1.003597
               31             6              38            1                0.984389
               32             6              33            6                0.965328
               32             6              39            1                1.000050
               32             6              40            1                0.991119
               33             6              34            6                0.961099
               33             6              41            1                0.996180
               33             6              42            1                0.986042
               34             6              43            1                1.007576
               34             6              44            1                0.985338
               45             6              46            6                0.983760
               45             6              49            6                0.964952
               45             6              50            1                0.992153
               45             6              51            1                0.994523
               46             6              47            6                0.949192
               46             6              52            1                0.988146
               46             6              53            1                0.984624
               47             6              48            6                0.975836
               47             6              54            1                0.986125
               47             6              55            1                1.003508
               48             6              49            6                0.989875
               48             6              56            1                0.981397
               48             6              57            1                0.997300
               49             6              58            1                0.982131
               49             6              59            1                0.996565
               60             6              61            6                0.972351
               60             6              64            6                0.969773
               60             6              65            1                0.987996
               60             6              66            1                0.994264
               61             6              62            6                0.969809
               61             6              67            1                0.996754
               61             6              68            1                0.989551
               62             6              63            6                0.955132
               62             6              69            1                1.003251
               62             6              70            1                0.984646
               63             6              64            6                0.965110
               63             6              71            1                0.995893
               63             6              72            1                0.988381
               64             6              73            1                1.000366
               64             6              74            1                0.987427
               75             6              76            6                0.963501
               75             6              79            6                0.981201
               75             6              80            1                0.971411
               75             6              81            1                1.002935
               76             6              77            6                0.964100
               76             6              82            1                0.988745
               76             6              83            1                0.999127
               77             6              78            6                0.961384
               77             6              84            1                0.997894
               77             6              85            1                0.992483
               78             6              79            6                0.980814
               78             6              86            1                0.998054
               78             6              87            1                0.986449
               79             6              88            1                0.991083
               79             6              89            1                0.994876
# -----------------------------------------------------------
$ 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     6.2206     6.0000    -0.2206     3.9889     3.6539     0.3350
  1   0     6.1104     6.0000    -0.1104     3.9884     3.6661     0.3223
  2   0     6.1852     6.0000    -0.1852     4.0308     3.7131     0.3177
  3   0     6.1488     6.0000    -0.1488     4.0000     3.6785     0.3215
  4   0     6.2040     6.0000    -0.2040     3.9918     3.6610     0.3308
  5   0     0.9061     1.0000     0.0939     0.9834     0.9278     0.0556
  6   0     0.9146     1.0000     0.0854     0.9860     0.9340     0.0520
  7   0     0.9141     1.0000     0.0859     0.9850     0.9330     0.0520
  8   0     0.9298     1.0000     0.0702     0.9951     0.9405     0.0546
  9   0     0.9115     1.0000     0.0885     0.9882     0.9363     0.0519
 10   0     0.9192     1.0000     0.0808     0.9809     0.9272     0.0537
 11   0     0.9048     1.0000     0.0952     0.9820     0.9282     0.0538
 12   0     0.9166     1.0000     0.0834     0.9895     0.9383     0.0512
 13   0     0.9129     1.0000     0.0871     0.9850     0.9305     0.0545
 14   0     0.9060     1.0000     0.0940     0.9850     0.9350     0.0500
 15   0     6.1492     6.0000    -0.1492     4.0317     3.7158     0.3159
 16   0     6.1843     6.0000    -0.1843     4.0632     3.7410     0.3222
 17   0     6.1533     6.0000    -0.1533     3.9781     3.6567     0.3214
 18   0     6.1433     6.0000    -0.1433     3.9524     3.6247     0.3277
 19   0     6.1658     6.0000    -0.1658     4.0333     3.7066     0.3267
 20   0     0.8942     1.0000     0.1058     0.9749     0.9238     0.0511
 21   0     0.9142     1.0000     0.0858     0.9840     0.9344     0.0496
 22   0     0.9610     1.0000     0.0390     1.0029     0.9447     0.0582
 23   0     0.9095     1.0000     0.0905     0.9848     0.9317     0.0531
 24   0     0.9327     1.0000     0.0673     0.9783     0.9229     0.0554
 25   0     0.9193     1.0000     0.0807     0.9774     0.9241     0.0533
 26   0     0.8856     1.0000     0.1144     0.9828     0.9356     0.0472
 27   0     0.9848     1.0000     0.0152     1.0049     0.9430     0.0619
 28   0     0.9116     1.0000     0.0884     0.9779     0.9247     0.0532
 29   0     0.8941     1.0000     0.1059     0.9810     0.9291     0.0519
 30   0     6.1461     6.0000    -0.1461     4.0048     3.6879     0.3169
 31   0     6.1822     6.0000    -0.1822     4.0152     3.6902     0.3250
 32   0     6.1467     6.0000    -0.1467     3.9597     3.6310     0.3287
 33   0     6.1550     6.0000    -0.1550     3.9923     3.6738     0.3185
 34   0     6.2013     6.0000    -0.2013     4.0153     3.6874     0.3279
 35   0     0.9097     1.0000     0.0903     0.9834     0.9307     0.0527
 36   0     0.9220     1.0000     0.0780     0.9857     0.9334     0.0523
 37   0     0.9181     1.0000     0.0819     0.9829     0.9292     0.0537
 38   0     0.9043     1.0000     0.0957     0.9831     0.9304     0.0527
 39   0     0.9591     1.0000     0.0409     1.0137     0.9578     0.0559
 40   0     0.9193     1.0000     0.0807     0.9868     0.9317     0.0551
 41   0     0.9218     1.0000     0.0782     0.9838     0.9335     0.0503
 42   0     0.9050     1.0000     0.0950     0.9857     0.9354     0.0503
 43   0     0.9183     1.0000     0.0817     0.9799     0.9244     0.0555
 44   0     0.8951     1.0000     0.1049     0.9838     0.9324     0.0514
 45   0     6.2016     6.0000    -0.2016     4.0264     3.7002     0.3262
 46   0     6.1699     6.0000    -0.1699     3.9788     3.6523     0.3265
 47   0     6.1857     6.0000    -0.1857     3.9991     3.6715     0.3276
 48   0     6.1770     6.0000    -0.1770     4.0498     3.7302     0.3196
 49   0     6.0978     6.0000    -0.0978     4.0005     3.6856     0.3149
 50   0     0.9193     1.0000     0.0807     0.9839     0.9292     0.0547
 51   0     0.9089     1.0000     0.0911     0.9841     0.9321     0.0520
 52   0     0.9193     1.0000     0.0807     0.9822     0.9257     0.0565
 53   0     0.9081     1.0000     0.0919     0.9863     0.9355     0.0508
 54   0     0.8938     1.0000     0.1062     0.9775     0.9283     0.0492
 55   0     0.9400     1.0000     0.0600     0.9819     0.9248     0.0571
 56   0     0.9063     1.0000     0.0937     0.9862     0.9333     0.0529
 57   0     0.9088     1.0000     0.0912     0.9767     0.9259     0.0508
 58   0     0.9119     1.0000     0.0881     0.9852     0.9327     0.0525
 59   0     0.9494     1.0000     0.0506     1.0092     0.9588     0.0504
 60   0     6.1489     6.0000    -0.1489     4.0009     3.6827     0.3182
 61   0     6.2008     6.0000    -0.2008     4.0059     3.6823     0.3236
 62   0     6.1584     6.0000    -0.1584     3.9924     3.6742     0.3182
 63   0     6.1228     6.0000    -0.1228     3.9538     3.6409     0.3129
 64   0     6.1906     6.0000    -0.1906     4.0229     3.6992     0.3237
 65   0     0.9040     1.0000     0.0960     0.9919     0.9423     0.0496
 66   0     0.9111     1.0000     0.0889     0.9851     0.9336     0.0515
 67   0     0.9194     1.0000     0.0806     0.9845     0.9315     0.0530
 68   0     0.9083     1.0000     0.0917     0.9834     0.9314     0.0520
 69   0     0.9286     1.0000     0.0714     0.9878     0.9357     0.0521
 70   0     0.9052     1.0000     0.0948     0.9822     0.9300     0.0522
 71   0     0.9166     1.0000     0.0834     0.9759     0.9256     0.0503
 72   0     0.9629     1.0000     0.0371     0.9953     0.9360     0.0593
 73   0     0.9242     1.0000     0.0758     0.9866     0.9309     0.0557
 74   0     0.8939     1.0000     0.1061     0.9805     0.9310     0.0495
 75   0     6.1071     6.0000    -0.1071     3.9799     3.6575     0.3224
 76   0     6.2489     6.0000    -0.2489     4.0084     3.6801     0.3283
 77   0     6.1288     6.0000    -0.1288     3.9704     3.6507     0.3197
 78   0     6.1918     6.0000    -0.1918     4.0079     3.6776     0.3303
 79   0     6.1927     6.0000    -0.1927     4.0330     3.7029     0.3301
 80   0     0.8874     1.0000     0.1126     0.9750     0.9221     0.0529
 81   0     0.9237     1.0000     0.0763     0.9992     0.9481     0.0511
 82   0     0.9105     1.0000     0.0895     0.9769     0.9239     0.0530
 83   0     0.9264     1.0000     0.0736     0.9866     0.9318     0.0548
 84   0     0.9236     1.0000     0.0764     0.9941     0.9427     0.0514
 85   0     0.9195     1.0000     0.0805     0.9860     0.9324     0.0536
 86   0     0.9205     1.0000     0.0795     0.9838     0.9308     0.0530
 87   0     0.8981     1.0000     0.1019     0.9820     0.9295     0.0525
 88   0     0.9038     1.0000     0.0962     0.9801     0.9273     0.0528
 89   0     0.9121     1.0000     0.0879     0.9935     0.9432     0.0503
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.902500
                0             6               4            6                0.895265
                0             6               5            1                0.937523
                0             6               6            1                0.952626
                1             6               2            6                0.919246
                1             6               7            1                0.944672
                1             6               8            1                0.950645
                2             6               3            6                0.919043
                2             6               9            1                0.952432
                2             6              10            1                0.953500
                3             6               4            6                0.902159
                3             6              11            1                0.939834
                3             6              12            1                0.955073
                4             6              13            1                0.948476
                4             6              14            1                0.953918
               15             6              16            6                0.919594
               15             6              19            6                0.933093
               15             6              20            1                0.945629
               15             6              21            1                0.970920
               16             6              17            6                0.925595
               16             6              22            1                0.958370
               16             6              23            1                0.954853
               17             6              18            6                0.881519
               17             6              24            1                0.955466
               17             6              25            1                0.949942
               18             6              19            6                0.886692
               18             6              26            1                0.961342
               18             6              27            1                0.966313
               19             6              28            1                0.954855
               19             6              29            1                0.949893
               30             6              31            6                0.918534
               30             6              34            6                0.910315
               30             6              35            1                0.939126
               30             6              36            1                0.956729
               31             6              32            6                0.889843
               31             6              37            1                0.960239
               31             6              38            1                0.942470
               32             6              33            6                0.902447
               32             6              39            1                0.955914
               32             6              40            1                0.946631
               33             6              34            6                0.897990
               33             6              41            1                0.956407
               33             6              42            1                0.946244
               34             6              43            1                0.962642
               34             6              44            1                0.944409
               45             6              46            6                0.921083
               45             6              49            6                0.899820
               45             6              50            1                0.948593
               45             6              51            1                0.953033
               46             6              47            6                0.885599
               46             6              52            1                0.942768
               46             6              53            1                0.944510
               47             6              48            6                0.912124
               47             6              54            1                0.946819
               47             6              55            1                0.958091
               48             6              49            6                0.929725
               48             6              56            1                0.939586
               48             6              57            1                0.956570
               49             6              58            1                0.940589
               49             6              59            1                0.957497
               60             6              61            6                0.910314
               60             6              64            6                0.903503
               60             6              65            1                0.949092
               60             6              66            1                0.953165
               61             6              62            6                0.905377
               61             6              67            1                0.954434
               61             6              68            1                0.948384
               62             6              63            6                0.895522
               62             6              69            1                0.961926
               62             6              70            1                0.943164
               63             6              64            6                0.906981
               63             6              71            1                0.955225
               63             6              72            1                0.942883
               64             6              73            1                0.955571
               64             6              74            1                0.948077
               75             6              76            6                0.902163
               75             6              79            6                0.914446
               75             6              80            1                0.928782
               75             6              81            1                0.962247
               76             6              77            6                0.902361
               76             6              82            1                0.946094
               76             6              83            1                0.955154
               77             6              78            6                0.899154
               77             6              84            1                0.957096
               77             6              85            1                0.949779
               78             6              79            6                0.912155
               78             6              86            1                0.955701
               78             6              87            1                0.944630
               79             6              88            1                0.948655
               79             6              89            1                0.955468
# -----------------------------------------------------------
$ 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     6.2648     6.0000    -0.2648     3.9745     3.6442     0.3303
  1   0     6.1721     6.0000    -0.1721     3.9771     3.6589     0.3182
  2   0     6.2298     6.0000    -0.2298     4.0020     3.6886     0.3134
  3   0     6.2026     6.0000    -0.2026     3.9900     3.6727     0.3173
  4   0     6.2500     6.0000    -0.2500     3.9742     3.6476     0.3266
  5   0     0.8808     1.0000     0.1192     0.9780     0.9237     0.0543
  6   0     0.8894     1.0000     0.1106     0.9789     0.9281     0.0508
  7   0     0.8913     1.0000     0.1087     0.9788     0.9278     0.0510
  8   0     0.9019     1.0000     0.0981     0.9888     0.9355     0.0533
  9   0     0.8864     1.0000     0.1136     0.9793     0.9285     0.0508
 10   0     0.8942     1.0000     0.1058     0.9740     0.9214     0.0526
 11   0     0.8823     1.0000     0.1177     0.9749     0.9221     0.0528
 12   0     0.8907     1.0000     0.1093     0.9796     0.9295     0.0501
 13   0     0.8876     1.0000     0.1124     0.9763     0.9230     0.0533
 14   0     0.8799     1.0000     0.1201     0.9769     0.9281     0.0488
 15   0     6.2182     6.0000    -0.2182     4.0387     3.7267     0.3120
 16   0     6.2270     6.0000    -0.2270     4.0460     3.7286     0.3174
 17   0     6.2152     6.0000    -0.2152     3.9948     3.6781     0.3167
 18   0     6.2005     6.0000    -0.2005     3.9418     3.6183     0.3235
 19   0     6.2114     6.0000    -0.2114     4.0280     3.7056     0.3224
 20   0     0.8677     1.0000     0.1323     0.9664     0.9166     0.0498
 21   0     0.8862     1.0000     0.1138     0.9736     0.9252     0.0484
 22   0     0.9312     1.0000     0.0688     0.9968     0.9400     0.0568
 23   0     0.8829     1.0000     0.1171     0.9770     0.9252     0.0518
 24   0     0.9076     1.0000     0.0924     0.9721     0.9181     0.0540
 25   0     0.8929     1.0000     0.1071     0.9723     0.9204     0.0519
 26   0     0.8620     1.0000     0.1380     0.9729     0.9269     0.0460
 27   0     0.9432     1.0000     0.0568     0.9923     0.9323     0.0600
 28   0     0.8897     1.0000     0.1103     0.9694     0.9171     0.0523
 29   0     0.8708     1.0000     0.1292     0.9731     0.9223     0.0508
 30   0     6.1997     6.0000    -0.1997     3.9891     3.6764     0.3127
 31   0     6.2279     6.0000    -0.2279     3.9897     3.6690     0.3207
 32   0     6.2049     6.0000    -0.2049     3.9479     3.6239     0.3240
 33   0     6.2065     6.0000    -0.2065     3.9799     3.6657     0.3142
 34   0     6.2470     6.0000    -0.2470     3.9923     3.6686     0.3237
 35   0     0.8871     1.0000     0.1129     0.9763     0.9246     0.0517
 36   0     0.8960     1.0000     0.1040     0.9775     0.9263     0.0512
 37   0     0.8919     1.0000     0.1081     0.9769     0.9243     0.0526
 38   0     0.8826     1.0000     0.1174     0.9765     0.9248     0.0517
 39   0     0.9195     1.0000     0.0805     1.0021     0.9479     0.0542
 40   0     0.8956     1.0000     0.1044     0.9803     0.9263     0.0540
 41   0     0.8967     1.0000     0.1033     0.9803     0.9312     0.0491
 42   0     0.8807     1.0000     0.1193     0.9779     0.9288     0.0491
 43   0     0.8911     1.0000     0.1089     0.9720     0.9177     0.0543
 44   0     0.8731     1.0000     0.1269     0.9751     0.9247     0.0504
 45   0     6.2414     6.0000    -0.2414     3.9971     3.6752     0.3219
 46   0     6.2127     6.0000    -0.2127     3.9665     3.6449     0.3216
 47   0     6.2364     6.0000    -0.2364     3.9847     3.6613     0.3234
 48   0     6.2207     6.0000    -0.2207     4.0261     3.7110     0.3151
 49   0     6.1672     6.0000    -0.1672     3.9922     3.6813     0.3109
 50   0     0.8941     1.0000     0.1059     0.9791     0.9255     0.0536
 51   0     0.8845     1.0000     0.1155     0.9747     0.9238     0.0509
 52   0     0.8960     1.0000     0.1040     0.9737     0.9181     0.0556
 53   0     0.8847     1.0000     0.1153     0.9815     0.9318     0.0497
 54   0     0.8739     1.0000     0.1261     0.9705     0.9223     0.0482
 55   0     0.9083     1.0000     0.0917     0.9772     0.9217     0.0555
 56   0     0.8844     1.0000     0.1156     0.9773     0.9254     0.0519
 57   0     0.8862     1.0000     0.1138     0.9754     0.9257     0.0497
 58   0     0.8900     1.0000     0.1100     0.9780     0.9264     0.0516
 59   0     0.9157     1.0000     0.0843     1.0023     0.9532     0.0491
 60   0     6.2025     6.0000    -0.2025     3.9914     3.6770     0.3144
 61   0     6.2456     6.0000    -0.2456     3.9844     3.6650     0.3194
 62   0     6.2053     6.0000    -0.2053     3.9634     3.6494     0.3140
 63   0     6.1836     6.0000    -0.1836     3.9455     3.6371     0.3084
 64   0     6.2361     6.0000    -0.2361     4.0042     3.6849     0.3193
 65   0     0.8814     1.0000     0.1186     0.9836     0.9350     0.0486
 66   0     0.8872     1.0000     0.1128     0.9772     0.9266     0.0506
 67   0     0.8921     1.0000     0.1079     0.9751     0.9232     0.0519
 68   0     0.8849     1.0000     0.1151     0.9758     0.9248     0.0510
 69   0     0.9009     1.0000     0.0991     0.9792     0.9282     0.0510
 70   0     0.8827     1.0000     0.1173     0.9760     0.9249     0.0511
 71   0     0.8924     1.0000     0.1076     0.9715     0.9224     0.0491
 72   0     0.9299     1.0000     0.0701     0.9886     0.9309     0.0577
 73   0     0.8993     1.0000     0.1007     0.9796     0.9251     0.0545
 74   0     0.8720     1.0000     0.1280     0.9774     0.9290     0.0484
 75   0     6.1633     6.0000    -0.1633     3.9781     3.6600     0.3181
 76   0     6.2916     6.0000    -0.2916     3.9969     3.6735     0.3234
 77   0     6.1910     6.0000    -0.1910     3.9598     3.6443     0.3155
 78   0     6.2368     6.0000    -0.2368     3.9926     3.6664     0.3262
 79   0     6.2410     6.0000    -0.2410     4.0186     3.6923     0.3263
 80   0     0.8703     1.0000     0.1297     0.9714     0.9193     0.0521
 81   0     0.8963     1.0000     0.1037     0.9875     0.9376     0.0499
 82   0     0.8845     1.0000     0.1155     0.9708     0.9190     0.0518
 83   0     0.8976     1.0000     0.1024     0.9781     0.9247     0.0534
 84   0     0.8914     1.0000     0.1086     0.9848     0.9348     0.0500
 85   0     0.8943     1.0000     0.1057     0.9780     0.9255     0.0525
 86   0     0.8942     1.0000     0.1058     0.9745     0.9225     0.0520
 87   0     0.8756     1.0000     0.1244     0.9736     0.9221     0.0515
 88   0     0.8818     1.0000     0.1182     0.9732     0.9214     0.0518
 89   0     0.8877     1.0000     0.1123     0.9831     0.9338     0.0493
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.911420
                0             6               4            6                0.896933
                0             6               5            1                0.924318
                0             6               6            1                0.941439
                1             6               2            6                0.926980
                1             6               7            1                0.931995
                1             6               8            1                0.938281
                2             6               3            6                0.926632
                2             6               9            1                0.937799
                2             6              10            1                0.939670
                3             6               4            6                0.913987
                3             6              11            1                0.926362
                3             6              12            1                0.941121
                4             6              13            1                0.934028
                4             6              14            1                0.943928
               15             6              16            6                0.926164
               15             6              19            6                0.952131
               15             6              20            1                0.931090
               15             6              21            1                0.954974
               16             6              17            6                0.948004
               16             6              22            1                0.936054
               16             6              23            1                0.936931
               17             6              18            6                0.896577
               17             6              24            1                0.935318
               17             6              25            1                0.936620
               18             6              19            6                0.899486
               18             6              26            1                0.945683
               18             6              27            1                0.943021
               19             6              28            1                0.934777
               19             6              29            1                0.932866
               30             6              31            6                0.926232
               30             6              34            6                0.917841
               30             6              35            1                0.924927
               30             6              36            1                0.945134
               31             6              32            6                0.896137
               31             6              37            1                0.947306
               31             6              38            1                0.928515
               32             6              33            6                0.908290
               32             6              39            1                0.944105
               32             6              40            1                0.931641
               33             6              34            6                0.907059
               33             6              41            1                0.947274
               33             6              42            1                0.932559
               34             6              43            1                0.948226
               34             6              44            1                0.928644
               45             6              46            6                0.929969
               45             6              49            6                0.907224
               45             6              50            1                0.933849
               45             6              51            1                0.939730
               46             6              47            6                0.897570
               46             6              52            1                0.926797
               46             6              53            1                0.933823
               47             6              48            6                0.920169
               47             6              54            1                0.932649
               47             6              55            1                0.941563
               48             6              49            6                0.939289
               48             6              56            1                0.922636
               48             6              57            1                0.946438
               49             6              58            1                0.925276
               49             6              59            1                0.950398
               60             6              61            6                0.920978
               60             6              64            6                0.908023
               60             6              65            1                0.936540
               60             6              66            1                0.943175
               61             6              62            6                0.908636
               61             6              67            1                0.942097
               61             6              68            1                0.933356
               62             6              63            6                0.902052
               62             6              69            1                0.950911
               62             6              70            1                0.929393
               63             6              64            6                0.922129
               63             6              71            1                0.944679
               63             6              72            1                0.926471
               64             6              73            1                0.939889
               64             6              74            1                0.935109
               75             6              76            6                0.913657
               75             6              79            6                0.926900
               75             6              80            1                0.918298
               75             6              81            1                0.948085
               76             6              77            6                0.909292
               76             6              82            1                0.934229
               76             6              83            1                0.940640
               77             6              78            6                0.912648
               77             6              84            1                0.945337
               77             6              85            1                0.933685
               78             6              79            6                0.915235
               78             6              86            1                0.943562
               78             6              87            1                0.929037
               79             6              88            1                0.937043
               79             6              89            1                0.942345
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1745068606
        Correlation Energy:       -5.0780277281
        Total MP2 Energy:      -1176.2525345886
# -----------------------------------------------------------
$ 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) :        0.5057785834
        Electronic Contribution:
                  0    
      0       0.203856
      1      -0.025613
      2       0.351201
        Nuclear Contribution:
                  0    
      0      -0.297235
      1      -0.040167
      2      -0.514137
        Total Dipole moment:
                  0    
      0      -0.093379
      1      -0.065780
      2      -0.162936
# -----------------------------------------------------------
$ 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) :        0.5063918652
        Electronic Contribution:
                  0    
      0       0.203522
      1      -0.025764
      2       0.351159
        Nuclear Contribution:
                  0    
      0      -0.297235
      1      -0.040167
      2      -0.514137
        Total Dipole moment:
                  0    
      0      -0.093713
      1      -0.065931
      2      -0.162978
# -----------------------------------------------------------
$ 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) :        0.4705356311
        Electronic Contribution:
                  0    
      0       0.208039
      1      -0.024894
      2       0.365543
        Nuclear Contribution:
                  0    
      0      -0.297235
      1      -0.040167
      2      -0.514137
        Total Dipole moment:
                  0    
      0      -0.089196
      1      -0.065061
      2      -0.148594
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     22.820000000000   16.320000000000   18.820000000000
               1 C     23.350000000000   15.260000000000   17.820000000000
               2 C     22.160000000000   14.430000000000   17.330000000000
               3 C     20.930000000000   14.640000000000   18.200000000000
               4 C     21.260000000000   15.930000000000   19.030000000000
               5 H     22.910000000000   17.390000000000   18.460000000000
               6 H     23.400000000000   16.160000000000   19.720000000000
               7 H     24.060000000000   14.600000000000   18.340000000000
               8 H     23.790000000000   15.780000000000   16.930000000000
               9 H     22.360000000000   13.360000000000   17.230000000000
              10 H     22.000000000000   14.800000000000   16.300000000000
              11 H     20.610000000000   13.750000000000   18.840000000000
              12 H     20.060000000000   14.890000000000   17.620000000000
              13 H     21.030000000000   15.740000000000   20.110000000000
              14 H     20.670000000000   16.760000000000   18.750000000000
              15 C     22.680000000000   19.140000000000   20.570000000000
              16 C     24.210000000000   19.140000000000   20.690000000000
              17 C     24.480000000000   20.020000000000   21.850000000000
              18 C     23.220000000000   20.670000000000   22.400000000000
              19 C     22.070000000000   20.220000000000   21.470000000000
              20 H     22.280000000000   18.150000000000   20.710000000000
              21 H     22.410000000000   19.370000000000   19.590000000000
              22 H     24.690000000000   19.460000000000   19.720000000000
              23 H     24.580000000000   18.110000000000   20.740000000000
              24 H     25.120000000000   20.850000000000   21.530000000000
              25 H     25.020000000000   19.520000000000   22.660000000000
              26 H     23.260000000000   21.620000000000   22.820000000000
              27 H     23.080000000000   20.150000000000   23.390000000000
              28 H     21.840000000000   21.210000000000   21.060000000000
              29 H     21.130000000000   20.000000000000   22.010000000000
              30 C     27.630000000000   21.560000000000   26.330000000000
              31 C     26.470000000000   22.160000000000   25.560000000000
              32 C     25.420000000000   21.040000000000   25.230000000000
              33 C     25.920000000000   19.740000000000   25.850000000000
              34 C     27.370000000000   20.050000000000   26.360000000000
              35 H     27.760000000000   22.040000000000   27.330000000000
              36 H     28.540000000000   21.700000000000   25.740000000000
              37 H     26.910000000000   22.490000000000   24.600000000000
              38 H     26.030000000000   23.050000000000   26.080000000000
              39 H     25.350000000000   20.970000000000   24.130000000000
              40 H     24.400000000000   21.280000000000   25.680000000000
              41 H     26.000000000000   19.020000000000   25.090000000000
              42 H     25.170000000000   19.490000000000   26.580000000000
              43 H     28.090000000000   19.610000000000   25.620000000000
              44 H     27.710000000000   19.490000000000   27.240000000000
              45 C     28.350000000000   18.750000000000   20.490000000000
              46 C     28.410000000000   19.560000000000   21.800000000000
              47 C     27.990000000000   21.000000000000   21.410000000000
              48 C     27.710000000000   21.010000000000   19.880000000000
              49 C     28.280000000000   19.750000000000   19.300000000000
              50 H     27.460000000000   18.080000000000   20.390000000000
              51 H     29.220000000000   18.090000000000   20.360000000000
              52 H     29.520000000000   19.610000000000   22.140000000000
              53 H     27.840000000000   19.190000000000   22.630000000000
              54 H     28.640000000000   21.680000000000   21.910000000000
              55 H     27.020000000000   21.230000000000   21.900000000000
              56 H     28.100000000000   21.980000000000   19.490000000000
              57 H     26.660000000000   21.030000000000   19.680000000000
              58 H     29.340000000000   19.770000000000   18.970000000000
              59 H     27.620000000000   19.350000000000   18.600000000000
              60 C     26.170000000000   18.910000000000   14.380000000000
              61 C     25.530000000000   20.300000000000   14.360000000000
              62 C     24.540000000000   20.360000000000   15.560000000000
              63 C     24.800000000000   19.170000000000   16.420000000000
              64 C     25.830000000000   18.310000000000   15.830000000000
              65 H     27.180000000000   19.070000000000   14.100000000000
              66 H     25.680000000000   18.270000000000   13.640000000000
              67 H     24.960000000000   20.450000000000   13.430000000000
              68 H     26.150000000000   21.200000000000   14.440000000000
              69 H     23.570000000000   20.230000000000   15.110000000000
              70 H     24.540000000000   21.310000000000   16.140000000000
              71 H     23.860000000000   18.680000000000   16.550000000000
              72 H     25.150000000000   19.500000000000   17.460000000000
              73 H     25.390000000000   17.290000000000   15.580000000000
              74 H     26.630000000000   18.130000000000   16.510000000000
              75 C     22.500000000000   17.530000000000   26.740000000000
              76 C     22.640000000000   18.240000000000   25.400000000000
              77 C     21.400000000000   17.910000000000   24.570000000000
              78 C     20.730000000000   16.620000000000   25.100000000000
              79 C     21.420000000000   16.370000000000   26.540000000000
              80 H     22.370000000000   18.270000000000   27.610000000000
              81 H     23.360000000000   16.930000000000   26.800000000000
              82 H     23.580000000000   18.040000000000   24.850000000000
              83 H     22.640000000000   19.340000000000   25.550000000000
              84 H     21.610000000000   17.740000000000   23.540000000000
              85 H     20.780000000000   18.830000000000   24.630000000000
              86 H     20.980000000000   15.770000000000   24.460000000000
              87 H     19.620000000000   16.570000000000   25.060000000000
              88 H     21.830000000000   15.330000000000   26.530000000000
              89 H     20.650000000000   16.400000000000   27.260000000000
