-------------------------------------------------------------
----------------------- !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:    -1171.1900591602
# -----------------------------------------------------------
$ 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     6.1840     6.0000    -0.1840     3.9522     3.9522    -0.0000
  1   0     6.1129     6.0000    -0.1129     3.8803     3.8803    -0.0000
  2   0     6.2057     6.0000    -0.2057     3.8768     3.8768     0.0000
  3   0     6.2307     6.0000    -0.2307     3.8685     3.8685     0.0000
  4   0     6.1204     6.0000    -0.1204     3.8634     3.8634     0.0000
  5   0     0.9084     1.0000     0.0916     0.9710     0.9710    -0.0000
  6   0     0.9199     1.0000     0.0801     0.9746     0.9746    -0.0000
  7   0     0.9202     1.0000     0.0798     0.9816     0.9816     0.0000
  8   0     0.9182     1.0000     0.0818     0.9764     0.9764    -0.0000
  9   0     0.9077     1.0000     0.0923     0.9706     0.9706     0.0000
 10   0     0.9200     1.0000     0.0800     0.9734     0.9734     0.0000
 11   0     0.9132     1.0000     0.0868     0.9706     0.9706     0.0000
 12   0     0.9108     1.0000     0.0892     0.9708     0.9708    -0.0000
 13   0     0.9038     1.0000     0.0962     0.9701     0.9701     0.0000
 14   0     0.9149     1.0000     0.0851     0.9725     0.9725    -0.0000
 15   0     6.1308     6.0000    -0.1308     3.9181     3.9181    -0.0000
 16   0     6.1549     6.0000    -0.1549     3.9006     3.9006    -0.0000
 17   0     6.1874     6.0000    -0.1874     3.8871     3.8871    -0.0000
 18   0     6.1612     6.0000    -0.1612     3.8811     3.8811     0.0000
 19   0     6.1447     6.0000    -0.1447     3.9104     3.9104    -0.0000
 20   0     0.9473     1.0000     0.0527     1.0044     1.0044     0.0000
 21   0     0.9198     1.0000     0.0802     0.9794     0.9794    -0.0000
 22   0     0.9268     1.0000     0.0732     0.9722     0.9722     0.0000
 23   0     0.9088     1.0000     0.0912     0.9724     0.9724     0.0000
 24   0     0.9284     1.0000     0.0716     0.9779     0.9779    -0.0000
 25   0     0.9096     1.0000     0.0904     0.9767     0.9767    -0.0000
 26   0     0.9267     1.0000     0.0733     0.9781     0.9781     0.0000
 27   0     0.9105     1.0000     0.0895     0.9722     0.9722     0.0000
 28   0     0.9212     1.0000     0.0788     0.9738     0.9738    -0.0000
 29   0     0.9251     1.0000     0.0749     0.9811     0.9811     0.0000
 30   0     6.1910     6.0000    -0.1910     3.8751     3.8751    -0.0000
 31   0     6.1694     6.0000    -0.1694     3.8621     3.8621    -0.0000
 32   0     6.1552     6.0000    -0.1552     3.9249     3.9249    -0.0000
 33   0     6.1758     6.0000    -0.1758     3.9017     3.9017     0.0000
 34   0     6.1266     6.0000    -0.1266     3.8515     3.8515    -0.0000
 35   0     0.9158     1.0000     0.0842     0.9770     0.9770    -0.0000
 36   0     0.9220     1.0000     0.0780     0.9728     0.9728    -0.0000
 37   0     0.9074     1.0000     0.0926     0.9705     0.9705    -0.0000
 38   0     0.9324     1.0000     0.0676     0.9776     0.9776    -0.0000
 39   0     0.9179     1.0000     0.0821     0.9840     0.9840    -0.0000
 40   0     0.9107     1.0000     0.0893     0.9727     0.9727    -0.0000
 41   0     0.9026     1.0000     0.0974     0.9704     0.9704     0.0000
 42   0     0.9219     1.0000     0.0781     0.9798     0.9798    -0.0000
 43   0     0.9224     1.0000     0.0776     0.9764     0.9764    -0.0000
 44   0     0.9336     1.0000     0.0664     0.9986     0.9986     0.0000
 45   0     6.1654     6.0000    -0.1654     3.8815     3.8815    -0.0000
 46   0     6.1776     6.0000    -0.1776     3.8580     3.8580    -0.0000
 47   0     6.2009     6.0000    -0.2009     3.8805     3.8805     0.0000
 48   0     6.1604     6.0000    -0.1604     3.8857     3.8857     0.0000
 49   0     6.1373     6.0000    -0.1373     3.9202     3.9202    -0.0000
 50   0     0.9148     1.0000     0.0852     0.9777     0.9777    -0.0000
 51   0     0.9152     1.0000     0.0848     0.9722     0.9722     0.0000
 52   0     0.9159     1.0000     0.0841     0.9742     0.9742    -0.0000
 53   0     0.9391     1.0000     0.0609     0.9778     0.9778    -0.0000
 54   0     0.9046     1.0000     0.0954     0.9748     0.9748    -0.0000
 55   0     0.9225     1.0000     0.0775     0.9715     0.9715    -0.0000
 56   0     0.9139     1.0000     0.0861     0.9753     0.9753     0.0000
 57   0     0.9152     1.0000     0.0848     0.9742     0.9742     0.0000
 58   0     0.9213     1.0000     0.0787     0.9779     0.9779    -0.0000
 59   0     0.8980     1.0000     0.1020     0.9727     0.9727    -0.0000
 60   0     6.1353     6.0000    -0.1353     3.8944     3.8944     0.0000
 61   0     6.1854     6.0000    -0.1854     3.9104     3.9104    -0.0000
 62   0     6.1024     6.0000    -0.1024     3.8680     3.8680    -0.0000
 63   0     6.1710     6.0000    -0.1710     3.8444     3.8444    -0.0000
 64   0     6.1923     6.0000    -0.1923     3.8965     3.8965     0.0000
 65   0     0.9080     1.0000     0.0920     0.9759     0.9759     0.0000
 66   0     0.9161     1.0000     0.0839     0.9788     0.9788     0.0000
 67   0     0.9165     1.0000     0.0835     0.9720     0.9720     0.0000
 68   0     0.9131     1.0000     0.0869     0.9742     0.9742    -0.0000
 69   0     0.9150     1.0000     0.0850     0.9813     0.9813    -0.0000
 70   0     0.9244     1.0000     0.0756     0.9769     0.9769    -0.0000
 71   0     0.9323     1.0000     0.0677     0.9747     0.9747     0.0000
 72   0     0.9448     1.0000     0.0552     0.9847     0.9847    -0.0000
 73   0     0.9196     1.0000     0.0804     0.9767     0.9767     0.0000
 74   0     0.9231     1.0000     0.0769     0.9755     0.9755     0.0000
 75   0     6.1742     6.0000    -0.1742     3.9200     3.9200     0.0000
 76   0     6.1491     6.0000    -0.1491     3.8892     3.8892    -0.0000
 77   0     6.1172     6.0000    -0.1172     3.8916     3.8916    -0.0000
 78   0     6.1721     6.0000    -0.1721     3.9122     3.9122     0.0000
 79   0     6.1318     6.0000    -0.1318     3.8585     3.8585     0.0000
 80   0     0.9278     1.0000     0.0722     0.9793     0.9793     0.0000
 81   0     0.9139     1.0000     0.0861     0.9764     0.9764     0.0000
 82   0     0.9401     1.0000     0.0599     0.9905     0.9905    -0.0000
 83   0     0.9266     1.0000     0.0734     0.9773     0.9773     0.0000
 84   0     0.9232     1.0000     0.0768     0.9779     0.9779     0.0000
 85   0     0.9319     1.0000     0.0681     0.9795     0.9795    -0.0000
 86   0     0.9271     1.0000     0.0729     0.9753     0.9753    -0.0000
 87   0     0.9249     1.0000     0.0751     0.9786     0.9786     0.0000
 88   0     0.9365     1.0000     0.0635     0.9778     0.9778     0.0000
 89   0     0.9032     1.0000     0.0968     0.9741     0.9741     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                0.986467
                0             6               4            6                0.990819
                0             6               5            1                0.984729
                0             6               6            1                0.999346
                1             6               2            6                0.953006
                1             6               7            1                1.005091
                1             6               8            1                0.986372
                2             6               3            6                0.963336
                2             6               9            1                0.995194
                2             6              10            1                0.996628
                3             6               4            6                0.945687
                3             6              11            1                0.992048
                3             6              12            1                0.998767
                4             6              13            1                0.987526
                4             6              14            1                0.990629
               15             6              16            6                0.977678
               15             6              19            6                0.976005
               15             6              20            1                0.993450
               15             6              21            1                0.997106
               16             6              17            6                0.965248
               16             6              22            1                0.998692
               16             6              23            1                0.995920
               17             6              18            6                0.965664
               17             6              24            1                0.995518
               17             6              25            1                0.990909
               18             6              19            6                0.966776
               18             6              26            1                0.991818
               18             6              27            1                0.990249
               19             6              28            1                0.996885
               19             6              29            1                0.997321
               30             6              31            6                0.953265
               30             6              34            6                0.961557
               30             6              35            1                0.990787
               30             6              36            1                0.991364
               31             6              32            6                0.977320
               31             6              37            1                0.984054
               31             6              38            1                0.996374
               32             6              33            6                0.984374
               32             6              39            1                0.988888
               32             6              40            1                0.987805
               33             6              34            6                0.957327
               33             6              41            1                0.983468
               33             6              42            1                0.992181
               34             6              43            1                0.993828
               34             6              44            1                0.997269
               45             6              46            6                0.949091
               45             6              49            6                0.979956
               45             6              50            1                0.995212
               45             6              51            1                0.992171
               46             6              47            6                0.969738
               46             6              52            1                0.989523
               46             6              53            1                0.992229
               47             6              48            6                0.953133
               47             6              54            1                0.992663
               47             6              55            1                0.991722
               48             6              49            6                0.986916
               48             6              56            1                1.000352
               48             6              57            1                0.992355
               49             6              58            1                0.995770
               49             6              59            1                0.979512
               60             6              61            6                0.979518
               60             6              64            6                0.971436
               60             6              65            1                0.987501
               60             6              66            1                0.994249
               61             6              62            6                0.971953
               61             6              67            1                0.993616
               61             6              68            1                0.993784
               62             6              63            6                0.961485
               62             6              69            1                0.989769
               62             6              70            1                0.994462
               63             6              64            6                0.951699
               63             6              71            1                0.986904
               63             6              72            1                0.997564
               64             6              73            1                1.003075
               64             6              74            1                1.002076
               75             6              76            6                0.976276
               75             6              79            6                0.969968
               75             6              80            1                0.988292
               75             6              81            1                0.990481
               76             6              77            6                0.957881
               76             6              82            1                0.997815
               76             6              83            1                0.993993
               77             6              78            6                0.974048
               77             6              84            1                0.998155
               77             6              85            1                1.001833
               78             6              79            6                0.955754
               78             6              86            1                0.999667
               78             6              87            1                0.991837
               79             6              88            1                1.004933
               79             6              89            1                0.980927
# -----------------------------------------------------------
$ 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     6.1920     6.0000    -0.1920     4.0596     3.7366     0.3230
  1   0     6.1209     6.0000    -0.1209     3.9882     3.6731     0.3151
  2   0     6.2132     6.0000    -0.2132     3.9903     3.6678     0.3225
  3   0     6.2381     6.0000    -0.2381     3.9841     3.6526     0.3315
  4   0     6.1289     6.0000    -0.1289     3.9731     3.6529     0.3202
  5   0     0.9047     1.0000     0.0953     0.9802     0.9264     0.0538
  6   0     0.9159     1.0000     0.0841     0.9840     0.9310     0.0530
  7   0     0.9161     1.0000     0.0839     0.9906     0.9424     0.0482
  8   0     0.9148     1.0000     0.0852     0.9866     0.9313     0.0553
  9   0     0.9036     1.0000     0.0964     0.9794     0.9295     0.0499
 10   0     0.9163     1.0000     0.0837     0.9834     0.9292     0.0542
 11   0     0.9093     1.0000     0.0907     0.9799     0.9253     0.0546
 12   0     0.9070     1.0000     0.0930     0.9800     0.9280     0.0520
 13   0     0.8997     1.0000     0.1003     0.9788     0.9278     0.0510
 14   0     0.9110     1.0000     0.0890     0.9818     0.9283     0.0535
 15   0     6.1378     6.0000    -0.1378     4.0236     3.7070     0.3166
 16   0     6.1633     6.0000    -0.1633     4.0109     3.6874     0.3235
 17   0     6.1946     6.0000    -0.1946     3.9994     3.6713     0.3281
 18   0     6.1694     6.0000    -0.1694     3.9933     3.6655     0.3278
 19   0     6.1524     6.0000    -0.1524     4.0189     3.6968     0.3221
 20   0     0.9436     1.0000     0.0564     1.0152     0.9616     0.0536
 21   0     0.9158     1.0000     0.0842     0.9886     0.9371     0.0515
 22   0     0.9226     1.0000     0.0774     0.9819     0.9278     0.0541
 23   0     0.9052     1.0000     0.0948     0.9822     0.9325     0.0497
 24   0     0.9246     1.0000     0.0754     0.9881     0.9342     0.0539
 25   0     0.9057     1.0000     0.0943     0.9858     0.9341     0.0517
 26   0     0.9231     1.0000     0.0769     0.9886     0.9340     0.0546
 27   0     0.9064     1.0000     0.0936     0.9814     0.9301     0.0513
 28   0     0.9174     1.0000     0.0826     0.9835     0.9312     0.0523
 29   0     0.9215     1.0000     0.0785     0.9918     0.9376     0.0542
 30   0     6.1988     6.0000    -0.1988     3.9873     3.6601     0.3272
 31   0     6.1770     6.0000    -0.1770     3.9729     3.6467     0.3262
 32   0     6.1629     6.0000    -0.1629     4.0319     3.7122     0.3197
 33   0     6.1834     6.0000    -0.1834     4.0117     3.6845     0.3272
 34   0     6.1341     6.0000    -0.1341     3.9616     3.6360     0.3256
 35   0     0.9120     1.0000     0.0880     0.9865     0.9342     0.0523
 36   0     0.9181     1.0000     0.0819     0.9825     0.9274     0.0551
 37   0     0.9036     1.0000     0.0964     0.9797     0.9239     0.0558
 38   0     0.9286     1.0000     0.0714     0.9877     0.9316     0.0561
 39   0     0.9142     1.0000     0.0858     0.9933     0.9426     0.0507
 40   0     0.9067     1.0000     0.0933     0.9816     0.9312     0.0504
 41   0     0.8988     1.0000     0.1012     0.9794     0.9262     0.0532
 42   0     0.9181     1.0000     0.0819     0.9892     0.9359     0.0533
 43   0     0.9183     1.0000     0.0817     0.9859     0.9322     0.0537
 44   0     0.9300     1.0000     0.0700     1.0086     0.9549     0.0537
 45   0     6.1730     6.0000    -0.1730     3.9913     3.6648     0.3265
 46   0     6.1849     6.0000    -0.1849     3.9718     3.6337     0.3381
 47   0     6.2079     6.0000    -0.2079     3.9933     3.6668     0.3265
 48   0     6.1684     6.0000    -0.1684     3.9976     3.6695     0.3281
 49   0     6.1449     6.0000    -0.1449     4.0265     3.7043     0.3222
 50   0     0.9111     1.0000     0.0889     0.9871     0.9337     0.0534
 51   0     0.9114     1.0000     0.0886     0.9816     0.9267     0.0549
 52   0     0.9120     1.0000     0.0880     0.9836     0.9295     0.0541
 53   0     0.9352     1.0000     0.0648     0.9884     0.9273     0.0611
 54   0     0.9008     1.0000     0.0992     0.9838     0.9335     0.0503
 55   0     0.9187     1.0000     0.0813     0.9811     0.9272     0.0539
 56   0     0.9101     1.0000     0.0899     0.9847     0.9339     0.0508
 57   0     0.9115     1.0000     0.0885     0.9839     0.9298     0.0541
 58   0     0.9175     1.0000     0.0825     0.9872     0.9327     0.0545
 59   0     0.8943     1.0000     0.1057     0.9815     0.9313     0.0502
 60   0     6.1431     6.0000    -0.1431     4.0022     3.6787     0.3235
 61   0     6.1932     6.0000    -0.1932     4.0203     3.6957     0.3246
 62   0     6.1101     6.0000    -0.1101     3.9739     3.6605     0.3134
 63   0     6.1785     6.0000    -0.1785     3.9561     3.6318     0.3243
 64   0     6.2004     6.0000    -0.2004     4.0085     3.6837     0.3248
 65   0     0.9043     1.0000     0.0957     0.9850     0.9331     0.0519
 66   0     0.9123     1.0000     0.0877     0.9879     0.9346     0.0533
 67   0     0.9127     1.0000     0.0873     0.9815     0.9278     0.0537
 68   0     0.9093     1.0000     0.0907     0.9834     0.9287     0.0547
 69   0     0.9111     1.0000     0.0889     0.9905     0.9398     0.0507
 70   0     0.9205     1.0000     0.0795     0.9866     0.9328     0.0538
 71   0     0.9284     1.0000     0.0716     0.9850     0.9300     0.0550
 72   0     0.9407     1.0000     0.0593     0.9948     0.9404     0.0544
 73   0     0.9157     1.0000     0.0843     0.9863     0.9353     0.0510
 74   0     0.9190     1.0000     0.0810     0.9850     0.9333     0.0517
 75   0     6.1820     6.0000    -0.1820     4.0281     3.7076     0.3205
 76   0     6.1563     6.0000    -0.1563     3.9951     3.6781     0.3170
 77   0     6.1248     6.0000    -0.1248     3.9948     3.6935     0.3013
 78   0     6.1802     6.0000    -0.1802     4.0190     3.7089     0.3101
 79   0     6.1391     6.0000    -0.1391     3.9649     3.6495     0.3154
 80   0     0.9240     1.0000     0.0760     0.9892     0.9364     0.0528
 81   0     0.9100     1.0000     0.0900     0.9855     0.9357     0.0498
 82   0     0.9366     1.0000     0.0634     1.0013     0.9484     0.0529
 83   0     0.9227     1.0000     0.0773     0.9868     0.9341     0.0527
 84   0     0.9194     1.0000     0.0806     0.9874     0.9384     0.0490
 85   0     0.9280     1.0000     0.0720     0.9893     0.9404     0.0489
 86   0     0.9232     1.0000     0.0768     0.9848     0.9347     0.0501
 87   0     0.9212     1.0000     0.0788     0.9884     0.9383     0.0501
 88   0     0.9327     1.0000     0.0673     0.9881     0.9341     0.0540
 89   0     0.8994     1.0000     0.1006     0.9830     0.9322     0.0508
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.922255
                0             6               4            6                0.929139
                0             6               5            1                0.941459
                0             6               6            1                0.956830
                1             6               2            6                0.894566
                1             6               7            1                0.966694
                1             6               8            1                0.942832
                2             6               3            6                0.899088
                2             6               9            1                0.955249
                2             6              10            1                0.953289
                3             6               4            6                0.883252
                3             6              11            1                0.947978
                3             6              12            1                0.956994
                4             6              13            1                0.946618
                4             6              14            1                0.947738
               15             6              16            6                0.914425
               15             6              19            6                0.914310
               15             6              20            1                0.952237
               15             6              21            1                0.955785
               16             6              17            6                0.900361
               16             6              22            1                0.955081
               16             6              23            1                0.957230
               17             6              18            6                0.901883
               17             6              24            1                0.952873
               17             6              25            1                0.949601
               18             6              19            6                0.902245
               18             6              26            1                0.948801
               18             6              27            1                0.949314
               19             6              28            1                0.955217
               19             6              29            1                0.954994
               30             6              31            6                0.892316
               30             6              34            6                0.897066
               30             6              35            1                0.949534
               30             6              36            1                0.947077
               31             6              32            6                0.915016
               31             6              37            1                0.939142
               31             6              38            1                0.951671
               32             6              33            6                0.918363
               32             6              39            1                0.949004
               32             6              40            1                0.947654
               33             6              34            6                0.895058
               33             6              41            1                0.940979
               33             6              42            1                0.949674
               34             6              43            1                0.950585
               34             6              44            1                0.954806
               45             6              46            6                0.884224
               45             6              49            6                0.918020
               45             6              50            1                0.952531
               45             6              51            1                0.947972
               46             6              47            6                0.906531
               46             6              52            1                0.946013
               46             6              53            1                0.942691
               47             6              48            6                0.889045
               47             6              54            1                0.952705
               47             6              55            1                0.948560
               48             6              49            6                0.920939
               48             6              56            1                0.959964
               48             6              57            1                0.949206
               49             6              58            1                0.951752
               49             6              59            1                0.939598
               60             6              61            6                0.916976
               60             6              64            6                0.906030
               60             6              65            1                0.946271
               60             6              66            1                0.951221
               61             6              62            6                0.910187
               61             6              67            1                0.950737
               61             6              68            1                0.949746
               62             6              63            6                0.901604
               62             6              69            1                0.949763
               62             6              70            1                0.951627
               63             6              64            6                0.888518
               63             6              71            1                0.943394
               63             6              72            1                0.954105
               64             6              73            1                0.962564
               64             6              74            1                0.960774
               75             6              76            6                0.910410
               75             6              79            6                0.908086
               75             6              80            1                0.946816
               75             6              81            1                0.951166
               76             6              77            6                0.898600
               76             6              82            1                0.957022
               76             6              83            1                0.951854
               77             6              78            6                0.914467
               77             6              84            1                0.959742
               77             6              85            1                0.963805
               78             6              79            6                0.894450
               78             6              86            1                0.960194
               78             6              87            1                0.952898
               79             6              88            1                0.962040
               79             6              89            1                0.940838
# -----------------------------------------------------------
$ 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     6.2356     6.0000    -0.2356     4.0298     3.7111     0.3187
  1   0     6.1836     6.0000    -0.1836     3.9858     3.6747     0.3111
  2   0     6.2659     6.0000    -0.2659     3.9829     3.6646     0.3183
  3   0     6.2804     6.0000    -0.2804     3.9652     3.6383     0.3269
  4   0     6.1867     6.0000    -0.1867     3.9766     3.6605     0.3161
  5   0     0.8814     1.0000     0.1186     0.9738     0.9211     0.0527
  6   0     0.8912     1.0000     0.1088     0.9764     0.9245     0.0519
  7   0     0.8885     1.0000     0.1115     0.9813     0.9342     0.0471
  8   0     0.8896     1.0000     0.1104     0.9804     0.9263     0.0541
  9   0     0.8772     1.0000     0.1228     0.9708     0.9221     0.0487
 10   0     0.8853     1.0000     0.1147     0.9742     0.9214     0.0528
 11   0     0.8849     1.0000     0.1151     0.9708     0.9173     0.0535
 12   0     0.8791     1.0000     0.1209     0.9727     0.9220     0.0507
 13   0     0.8805     1.0000     0.1195     0.9734     0.9233     0.0501
 14   0     0.8848     1.0000     0.1152     0.9745     0.9222     0.0523
 15   0     6.1924     6.0000    -0.1924     3.9964     3.6839     0.3125
 16   0     6.2209     6.0000    -0.2209     3.9888     3.6694     0.3194
 17   0     6.2363     6.0000    -0.2363     3.9737     3.6500     0.3237
 18   0     6.2150     6.0000    -0.2150     3.9776     3.6544     0.3232
 19   0     6.2069     6.0000    -0.2069     4.0018     3.6839     0.3179
 20   0     0.9125     1.0000     0.0875     1.0095     0.9572     0.0523
 21   0     0.8900     1.0000     0.1100     0.9785     0.9281     0.0504
 22   0     0.8955     1.0000     0.1045     0.9726     0.9196     0.0530
 23   0     0.8807     1.0000     0.1193     0.9792     0.9306     0.0486
 24   0     0.9015     1.0000     0.0985     0.9850     0.9323     0.0527
 25   0     0.8797     1.0000     0.1203     0.9772     0.9268     0.0504
 26   0     0.9007     1.0000     0.0993     0.9870     0.9337     0.0533
 27   0     0.8837     1.0000     0.1163     0.9746     0.9244     0.0502
 28   0     0.8926     1.0000     0.1074     0.9787     0.9276     0.0511
 29   0     0.8954     1.0000     0.1046     0.9860     0.9332     0.0528
 30   0     6.2477     6.0000    -0.2477     3.9678     3.6452     0.3226
 31   0     6.2151     6.0000    -0.2151     3.9555     3.6341     0.3214
 32   0     6.2157     6.0000    -0.2157     4.0154     3.6997     0.3157
 33   0     6.2273     6.0000    -0.2273     3.9934     3.6705     0.3229
 34   0     6.1994     6.0000    -0.1994     3.9512     3.6298     0.3214
 35   0     0.8851     1.0000     0.1149     0.9800     0.9290     0.0510
 36   0     0.8930     1.0000     0.1070     0.9737     0.9196     0.0541
 37   0     0.8830     1.0000     0.1170     0.9741     0.9193     0.0548
 38   0     0.9024     1.0000     0.0976     0.9818     0.9269     0.0549
 39   0     0.8904     1.0000     0.1096     0.9838     0.9341     0.0497
 40   0     0.8842     1.0000     0.1158     0.9759     0.9264     0.0495
 41   0     0.8793     1.0000     0.1207     0.9737     0.9214     0.0523
 42   0     0.8932     1.0000     0.1068     0.9812     0.9290     0.0522
 43   0     0.8923     1.0000     0.1077     0.9742     0.9216     0.0526
 44   0     0.8926     1.0000     0.1074     1.0022     0.9501     0.0521
 45   0     6.2230     6.0000    -0.2230     3.9868     3.6648     0.3220
 46   0     6.2223     6.0000    -0.2223     3.9622     3.6293     0.3329
 47   0     6.2533     6.0000    -0.2533     3.9859     3.6639     0.3220
 48   0     6.2211     6.0000    -0.2211     3.9793     3.6552     0.3241
 49   0     6.1978     6.0000    -0.1978     4.0164     3.6984     0.3180
 50   0     0.8859     1.0000     0.1141     0.9798     0.9276     0.0522
 51   0     0.8875     1.0000     0.1125     0.9735     0.9196     0.0539
 52   0     0.8896     1.0000     0.1104     0.9760     0.9230     0.0530
 53   0     0.9127     1.0000     0.0873     0.9842     0.9244     0.0598
 54   0     0.8766     1.0000     0.1234     0.9763     0.9271     0.0492
 55   0     0.8930     1.0000     0.1070     0.9731     0.9203     0.0528
 56   0     0.8845     1.0000     0.1155     0.9756     0.9259     0.0497
 57   0     0.8862     1.0000     0.1138     0.9744     0.9214     0.0530
 58   0     0.8931     1.0000     0.1069     0.9778     0.9243     0.0535
 59   0     0.8742     1.0000     0.1258     0.9760     0.9267     0.0493
 60   0     6.1959     6.0000    -0.1959     3.9933     3.6737     0.3196
 61   0     6.2370     6.0000    -0.2370     4.0082     3.6881     0.3201
 62   0     6.1645     6.0000    -0.1645     3.9637     3.6545     0.3092
 63   0     6.2282     6.0000    -0.2282     3.9490     3.6294     0.3196
 64   0     6.2446     6.0000    -0.2446     3.9887     3.6683     0.3204
 65   0     0.8834     1.0000     0.1166     0.9776     0.9267     0.0509
 66   0     0.8890     1.0000     0.1110     0.9799     0.9275     0.0524
 67   0     0.8890     1.0000     0.1110     0.9737     0.9210     0.0527
 68   0     0.8854     1.0000     0.1146     0.9746     0.9209     0.0537
 69   0     0.8866     1.0000     0.1134     0.9827     0.9332     0.0495
 70   0     0.8964     1.0000     0.1036     0.9785     0.9258     0.0527
 71   0     0.9047     1.0000     0.0953     0.9798     0.9260     0.0538
 72   0     0.9119     1.0000     0.0881     0.9887     0.9357     0.0530
 73   0     0.8895     1.0000     0.1105     0.9797     0.9298     0.0499
 74   0     0.8939     1.0000     0.1061     0.9788     0.9282     0.0506
 75   0     6.2292     6.0000    -0.2292     4.0036     3.6870     0.3166
 76   0     6.2133     6.0000    -0.2133     3.9750     3.6619     0.3131
 77   0     6.1859     6.0000    -0.1859     3.9680     3.6703     0.2977
 78   0     6.2336     6.0000    -0.2336     3.9874     3.6808     0.3066
 79   0     6.1905     6.0000    -0.1905     3.9510     3.6396     0.3114
 80   0     0.8984     1.0000     0.1016     0.9812     0.9294     0.0518
 81   0     0.8856     1.0000     0.1144     0.9800     0.9313     0.0487
 82   0     0.9050     1.0000     0.0950     0.9949     0.9433     0.0516
 83   0     0.8953     1.0000     0.1047     0.9785     0.9270     0.0515
 84   0     0.8919     1.0000     0.1081     0.9806     0.9327     0.0479
 85   0     0.8983     1.0000     0.1017     0.9799     0.9321     0.0478
 86   0     0.8952     1.0000     0.1048     0.9773     0.9284     0.0489
 87   0     0.8943     1.0000     0.1057     0.9804     0.9313     0.0491
 88   0     0.9044     1.0000     0.0956     0.9788     0.9259     0.0529
 89   0     0.8786     1.0000     0.1214     0.9784     0.9286     0.0498
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.924454
                0             6               4            6                0.940275
                0             6               5            1                0.926928
                0             6               6            1                0.943614
                1             6               2            6                0.913153
                1             6               7            1                0.957835
                1             6               8            1                0.926305
                2             6               3            6                0.899017
                2             6               9            1                0.942579
                2             6              10            1                0.938756
                3             6               4            6                0.899804
                3             6              11            1                0.930370
                3             6              12            1                0.945027
                4             6              13            1                0.933301
                4             6              14            1                0.932757
               15             6              16            6                0.918260
               15             6              19            6                0.921548
               15             6              20            1                0.937471
               15             6              21            1                0.941520
               16             6              17            6                0.907543
               16             6              22            1                0.938839
               16             6              23            1                0.946388
               17             6              18            6                0.907471
               17             6              24            1                0.937661
               17             6              25            1                0.937760
               18             6              19            6                0.914185
               18             6              26            1                0.934703
               18             6              27            1                0.935437
               19             6              28            1                0.943700
               19             6              29            1                0.938129
               30             6              31            6                0.904069
               30             6              34            6                0.902473
               30             6              35            1                0.937084
               30             6              36            1                0.932573
               31             6              32            6                0.925437
               31             6              37            1                0.924722
               31             6              38            1                0.938000
               32             6              33            6                0.922566
               32             6              39            1                0.936348
               32             6              40            1                0.937638
               33             6              34            6                0.908207
               33             6              41            1                0.927407
               33             6              42            1                0.937221
               34             6              43            1                0.933462
               34             6              44            1                0.941385
               45             6              46            6                0.899597
               45             6              49            6                0.931274
               45             6              50            1                0.937578
               45             6              51            1                0.933521
               46             6              47            6                0.916048
               46             6              52            1                0.934177
               46             6              53            1                0.924608
               47             6              48            6                0.898616
               47             6              54            1                0.940732
               47             6              55            1                0.934668
               48             6              49            6                0.926457
               48             6              56            1                0.947718
               48             6              57            1                0.932848
               49             6              58            1                0.935744
               49             6              59            1                0.930080
               60             6              61            6                0.928847
               60             6              64            6                0.914964
               60             6              65            1                0.931992
               60             6              66            1                0.938299
               61             6              62            6                0.924351
               61             6              67            1                0.936099
               61             6              68            1                0.931558
               62             6              63            6                0.913983
               62             6              69            1                0.936996
               62             6              70            1                0.935360
               63             6              64            6                0.893287
               63             6              71            1                0.929157
               63             6              72            1                0.943369
               64             6              73            1                0.951341
               64             6              74            1                0.946661
               75             6              76            6                0.912270
               75             6              79            6                0.916975
               75             6              80            1                0.934465
               75             6              81            1                0.942136
               76             6              77            6                0.904943
               76             6              82            1                0.947808
               76             6              83            1                0.939530
               77             6              78            6                0.914081
               77             6              84            1                0.949048
               77             6              85            1                0.952098
               78             6              79            6                0.900761
               78             6              86            1                0.949948
               78             6              87            1                0.940195
               79             6              88            1                0.948986
               79             6              89            1                0.930421
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1900591602
        Correlation Energy:       -5.0691331872
        Total MP2 Energy:      -1176.2591923474
# -----------------------------------------------------------
$ 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) :        0.0998553974
        Electronic Contribution:
                  0    
      0       0.241305
      1       0.308797
      2       0.589664
        Nuclear Contribution:
                  0    
      0      -0.257068
      1      -0.273135
      2      -0.594471
        Total Dipole moment:
                  0    
      0      -0.015764
      1       0.035661
      2      -0.004807
# -----------------------------------------------------------
$ 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) :        0.0994154691
        Electronic Contribution:
                  0    
      0       0.240922
      1       0.308167
      2       0.588002
        Nuclear Contribution:
                  0    
      0      -0.257068
      1      -0.273135
      2      -0.594471
        Total Dipole moment:
                  0    
      0      -0.016146
      1       0.035032
      2      -0.006469
# -----------------------------------------------------------
$ 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) :        0.0854371768
        Electronic Contribution:
                  0    
      0       0.242101
      1       0.290656
      2       0.570000
        Nuclear Contribution:
                  0    
      0      -0.257068
      1      -0.273135
      2      -0.594471
        Total Dipole moment:
                  0    
      0      -0.014967
      1       0.017521
      2      -0.024471
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     24.490000000000   18.130000000000   19.760000000000
               1 C     25.810000000000   17.420000000000   19.400000000000
               2 C     25.700000000000   15.970000000000   19.780000000000
               3 C     24.260000000000   15.710000000000   20.330000000000
               4 C     23.570000000000   17.100000000000   20.390000000000
               5 H     24.120000000000   18.660000000000   18.830000000000
               6 H     24.710000000000   18.890000000000   20.540000000000
               7 H     26.510000000000   17.890000000000   19.980000000000
               8 H     26.110000000000   17.680000000000   18.340000000000
               9 H     26.470000000000   15.670000000000   20.450000000000
              10 H     25.840000000000   15.260000000000   18.950000000000
              11 H     24.280000000000   15.160000000000   21.310000000000
              12 H     23.770000000000   14.920000000000   19.790000000000
              13 H     23.300000000000   17.420000000000   21.410000000000
              14 H     22.620000000000   16.930000000000   19.840000000000
              15 C     22.800000000000   15.940000000000   16.590000000000
              16 C     22.400000000000   14.480000000000   16.310000000000
              17 C     23.100000000000   13.970000000000   15.000000000000
              18 C     24.250000000000   14.990000000000   14.730000000000
              19 C     23.990000000000   16.210000000000   15.670000000000
              20 H     22.930000000000   16.140000000000   17.650000000000
              21 H     21.970000000000   16.560000000000   16.280000000000
              22 H     21.310000000000   14.470000000000   16.090000000000
              23 H     22.520000000000   13.850000000000   17.130000000000
              24 H     22.350000000000   13.900000000000   14.200000000000
              25 H     23.410000000000   12.950000000000   15.210000000000
              26 H     24.290000000000   15.350000000000   13.690000000000
              27 H     25.180000000000   14.470000000000   14.930000000000
              28 H     23.890000000000   17.070000000000   15.030000000000
              29 H     24.930000000000   16.390000000000   16.200000000000
              30 C     25.390000000000   12.070000000000   18.440000000000
              31 C     24.310000000000   11.070000000000   18.790000000000
              32 C     24.390000000000   10.640000000000   20.260000000000
              33 C     25.750000000000   11.250000000000   20.790000000000
              34 C     26.140000000000   12.350000000000   19.780000000000
              35 H     25.050000000000   12.980000000000   17.960000000000
              36 H     26.040000000000   11.560000000000   17.660000000000
              37 H     24.330000000000   10.190000000000   18.020000000000
              38 H     23.330000000000   11.620000000000   18.730000000000
              39 H     24.470000000000    9.570000000000   20.350000000000
              40 H     23.580000000000   11.060000000000   20.850000000000
              41 H     26.590000000000   10.490000000000   20.890000000000
              42 H     25.530000000000   11.770000000000   21.740000000000
              43 H     27.200000000000   12.240000000000   19.500000000000
              44 H     26.070000000000   13.410000000000   20.060000000000
              45 C     21.440000000000   18.340000000000   13.020000000000
              46 C     21.920000000000   16.980000000000   12.360000000000
              47 C     21.850000000000   17.080000000000   10.820000000000
              48 C     21.310000000000   18.540000000000   10.580000000000
              49 C     21.230000000000   19.380000000000   11.930000000000
              50 H     22.220000000000   18.560000000000   13.770000000000
              51 H     20.470000000000   18.160000000000   13.590000000000
              52 H     21.330000000000   16.100000000000   12.700000000000
              53 H     23.060000000000   16.740000000000   12.620000000000
              54 H     21.230000000000   16.430000000000   10.240000000000
              55 H     22.860000000000   16.930000000000   10.380000000000
              56 H     20.380000000000   18.410000000000   10.090000000000
              57 H     21.840000000000   19.160000000000    9.820000000000
              58 H     20.150000000000   19.690000000000   12.050000000000
              59 H     21.900000000000   20.240000000000   12.030000000000
              60 C     23.670000000000   12.400000000000    9.280000000000
              61 C     24.670000000000   11.810000000000   10.290000000000
              62 C     24.380000000000   12.450000000000   11.650000000000
              63 C     23.550000000000   13.690000000000   11.470000000000
              64 C     23.000000000000   13.620000000000   10.050000000000
              65 H     22.910000000000   11.670000000000    8.950000000000
              66 H     24.200000000000   12.820000000000    8.380000000000
              67 H     25.700000000000   12.000000000000    9.900000000000
              68 H     24.680000000000   10.680000000000   10.440000000000
              69 H     25.280000000000   12.650000000000   12.200000000000
              70 H     23.740000000000   11.740000000000   12.220000000000
              71 H     24.080000000000   14.670000000000   11.490000000000
              72 H     22.670000000000   13.700000000000   12.130000000000
              73 H     23.220000000000   14.530000000000    9.540000000000
              74 H     21.940000000000   13.570000000000   10.230000000000
              75 C     29.330000000000   18.310000000000   16.760000000000
              76 C     28.820000000000   16.880000000000   16.300000000000
              77 C     29.400000000000   16.590000000000   14.970000000000
              78 C     30.200000000000   17.770000000000   14.500000000000
              79 C     30.140000000000   18.830000000000   15.580000000000
              80 H     30.040000000000   18.240000000000   17.600000000000
              81 H     28.460000000000   18.860000000000   17.030000000000
              82 H     27.750000000000   16.800000000000   16.220000000000
              83 H     29.190000000000   16.090000000000   16.960000000000
              84 H     28.640000000000   16.260000000000   14.340000000000
              85 H     30.040000000000   15.790000000000   15.040000000000
              86 H     29.800000000000   18.180000000000   13.610000000000
              87 H     31.210000000000   17.560000000000   14.260000000000
              88 H     29.450000000000   19.500000000000   15.080000000000
              89 H     31.060000000000   19.350000000000   15.900000000000
