-------------------------------------------------------------
----------------------- !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:    -1171.2218915475
# -----------------------------------------------------------
$ 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     6.1286     6.0000    -0.1286     3.9187     3.9187     0.0000
  1   0     6.1520     6.0000    -0.1520     3.9073     3.9073     0.0000
  2   0     6.1416     6.0000    -0.1416     3.8856     3.8856    -0.0000
  3   0     6.1715     6.0000    -0.1715     3.8996     3.8996     0.0000
  4   0     6.1766     6.0000    -0.1766     3.8875     3.8875    -0.0000
  5   0     0.9270     1.0000     0.0730     0.9789     0.9789     0.0000
  6   0     0.9189     1.0000     0.0811     0.9805     0.9805     0.0000
  7   0     0.9185     1.0000     0.0815     0.9758     0.9758    -0.0000
  8   0     0.9271     1.0000     0.0729     0.9789     0.9789     0.0000
  9   0     0.9338     1.0000     0.0662     0.9815     0.9815    -0.0000
 10   0     0.9205     1.0000     0.0795     0.9745     0.9745    -0.0000
 11   0     0.9252     1.0000     0.0748     0.9732     0.9732     0.0000
 12   0     0.9154     1.0000     0.0846     0.9814     0.9814     0.0000
 13   0     0.9320     1.0000     0.0680     0.9753     0.9753    -0.0000
 14   0     0.9112     1.0000     0.0888     0.9756     0.9756    -0.0000
 15   0     6.1052     6.0000    -0.1052     3.8185     3.8185    -0.0000
 16   0     6.2038     6.0000    -0.2038     3.9373     3.9373    -0.0000
 17   0     6.1438     6.0000    -0.1438     3.8812     3.8812    -0.0000
 18   0     6.1100     6.0000    -0.1100     3.8910     3.8910    -0.0000
 19   0     6.2277     6.0000    -0.2277     3.9148     3.9148    -0.0000
 20   0     0.9534     1.0000     0.0466     0.9963     0.9963    -0.0000
 21   0     0.8988     1.0000     0.1012     0.9769     0.9769    -0.0000
 22   0     0.9155     1.0000     0.0845     0.9752     0.9752    -0.0000
 23   0     0.9097     1.0000     0.0903     0.9701     0.9701    -0.0000
 24   0     0.9119     1.0000     0.0881     0.9766     0.9766     0.0000
 25   0     0.9365     1.0000     0.0635     0.9820     0.9820    -0.0000
 26   0     0.9249     1.0000     0.0751     0.9839     0.9839    -0.0000
 27   0     0.9207     1.0000     0.0793     0.9751     0.9751    -0.0000
 28   0     0.9102     1.0000     0.0898     0.9743     0.9743    -0.0000
 29   0     0.9238     1.0000     0.0762     0.9703     0.9703    -0.0000
 30   0     6.1482     6.0000    -0.1482     3.8700     3.8700     0.0000
 31   0     6.2006     6.0000    -0.2006     3.9012     3.9012    -0.0000
 32   0     6.1135     6.0000    -0.1135     3.8894     3.8894    -0.0000
 33   0     6.1739     6.0000    -0.1739     3.8987     3.8987     0.0000
 34   0     6.1603     6.0000    -0.1603     3.8953     3.8953     0.0000
 35   0     0.9190     1.0000     0.0810     0.9746     0.9746     0.0000
 36   0     0.9199     1.0000     0.0801     0.9738     0.9738     0.0000
 37   0     0.9156     1.0000     0.0844     0.9750     0.9750     0.0000
 38   0     0.9191     1.0000     0.0809     0.9777     0.9777    -0.0000
 39   0     0.9356     1.0000     0.0644     0.9869     0.9869     0.0000
 40   0     0.9133     1.0000     0.0867     0.9757     0.9757    -0.0000
 41   0     0.9129     1.0000     0.0871     0.9720     0.9720     0.0000
 42   0     0.9254     1.0000     0.0746     0.9778     0.9778    -0.0000
 43   0     0.9259     1.0000     0.0741     0.9762     0.9762    -0.0000
 44   0     0.9149     1.0000     0.0851     0.9736     0.9736    -0.0000
 45   0     6.1767     6.0000    -0.1767     3.8998     3.8998    -0.0000
 46   0     6.1265     6.0000    -0.1265     3.8554     3.8554    -0.0000
 47   0     6.1938     6.0000    -0.1938     3.9086     3.9086     0.0000
 48   0     6.1428     6.0000    -0.1428     3.8834     3.8834     0.0000
 49   0     6.1482     6.0000    -0.1482     3.8887     3.8887     0.0000
 50   0     0.9104     1.0000     0.0896     0.9770     0.9770     0.0000
 51   0     0.9231     1.0000     0.0769     0.9804     0.9804    -0.0000
 52   0     0.9326     1.0000     0.0674     0.9887     0.9887    -0.0000
 53   0     0.9271     1.0000     0.0729     0.9837     0.9837    -0.0000
 54   0     0.9218     1.0000     0.0782     0.9757     0.9757    -0.0000
 55   0     0.9101     1.0000     0.0899     0.9740     0.9740    -0.0000
 56   0     0.9182     1.0000     0.0818     0.9750     0.9750     0.0000
 57   0     0.9300     1.0000     0.0700     0.9790     0.9790     0.0000
 58   0     0.9149     1.0000     0.0851     0.9787     0.9787    -0.0000
 59   0     0.9252     1.0000     0.0748     0.9775     0.9775    -0.0000
 60   0     6.1510     6.0000    -0.1510     3.8725     3.8725    -0.0000
 61   0     6.1763     6.0000    -0.1763     3.9434     3.9434    -0.0000
 62   0     6.1266     6.0000    -0.1266     3.8618     3.8618     0.0000
 63   0     6.1628     6.0000    -0.1628     3.9413     3.9413    -0.0000
 64   0     6.1666     6.0000    -0.1666     3.8751     3.8751    -0.0000
 65   0     0.9356     1.0000     0.0644     0.9766     0.9766    -0.0000
 66   0     0.9058     1.0000     0.0942     0.9722     0.9722    -0.0000
 67   0     0.9092     1.0000     0.0908     0.9828     0.9828    -0.0000
 68   0     0.9235     1.0000     0.0765     0.9733     0.9733    -0.0000
 69   0     0.9153     1.0000     0.0847     0.9770     0.9770     0.0000
 70   0     0.9539     1.0000     0.0461     0.9852     0.9852     0.0000
 71   0     0.9225     1.0000     0.0775     0.9838     0.9838    -0.0000
 72   0     0.9081     1.0000     0.0919     0.9744     0.9744    -0.0000
 73   0     0.9224     1.0000     0.0776     0.9717     0.9717    -0.0000
 74   0     0.9250     1.0000     0.0750     0.9733     0.9733    -0.0000
 75   0     6.1375     6.0000    -0.1375     3.8963     3.8963    -0.0000
 76   0     6.1507     6.0000    -0.1507     3.9116     3.9116    -0.0000
 77   0     6.1677     6.0000    -0.1677     3.8789     3.8789    -0.0000
 78   0     6.1521     6.0000    -0.1521     3.8736     3.8736     0.0000
 79   0     6.1790     6.0000    -0.1790     3.8964     3.8964     0.0000
 80   0     0.9159     1.0000     0.0841     0.9761     0.9761    -0.0000
 81   0     0.9256     1.0000     0.0744     0.9780     0.9780    -0.0000
 82   0     0.9174     1.0000     0.0826     0.9762     0.9762    -0.0000
 83   0     0.9227     1.0000     0.0773     0.9795     0.9795     0.0000
 84   0     0.9192     1.0000     0.0808     0.9782     0.9782     0.0000
 85   0     0.9289     1.0000     0.0711     0.9749     0.9749     0.0000
 86   0     0.9256     1.0000     0.0744     0.9775     0.9775     0.0000
 87   0     0.9209     1.0000     0.0791     0.9816     0.9816    -0.0000
 88   0     0.9127     1.0000     0.0873     0.9778     0.9778    -0.0000
 89   0     0.9241     1.0000     0.0759     0.9793     0.9793    -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                0.977200
                0             6               4            6                0.978931
                0             6               5            1                0.991908
                0             6               6            1                0.992717
                1             6               2            6                0.967137
                1             6               7            1                0.996262
                1             6               8            1                0.998519
                2             6               3            6                0.973020
                2             6               9            1                0.997486
                2             6              10            1                0.987789
                3             6               4            6                0.966302
                3             6              11            1                0.996279
                3             6              12            1                0.989783
                4             6              13            1                0.991047
                4             6              14            1                0.991543
               15             6              16            6                0.960040
               15             6              19            6                0.952797
               15             6              20            1                1.003423
               15             6              21            1                0.976957
               16             6              17            6                0.977759
               16             6              22            1                0.987303
               16             6              23            1                0.999698
               17             6              18            6                0.972912
               17             6              24            1                0.984010
               17             6              25            1                1.001188
               18             6              19            6                0.973465
               18             6              26            1                0.986532
               18             6              27            1                0.996270
               19             6              28            1                0.989556
               19             6              29            1                0.998141
               30             6              31            6                0.955591
               30             6              34            6                0.968473
               30             6              35            1                0.992554
               30             6              36            1                0.999170
               31             6              32            6                0.971798
               31             6              37            1                0.998885
               31             6              38            1                0.990868
               32             6              33            6                0.969052
               32             6              39            1                1.002848
               32             6              40            1                0.985304
               33             6              34            6                0.972217
               33             6              41            1                0.991356
               33             6              42            1                0.991977
               34             6              43            1                1.000413
               34             6              44            1                0.988053
               45             6              46            6                0.961403
               45             6              49            6                0.971749
               45             6              50            1                0.987959
               45             6              51            1                0.991131
               46             6              47            6                0.961983
               46             6              52            1                0.992024
               46             6              53            1                0.999123
               47             6              48            6                0.973366
               47             6              54            1                0.994189
               47             6              55            1                0.993348
               48             6              49            6                0.966987
               48             6              56            1                0.989647
               48             6              57            1                0.995815
               49             6              58            1                0.987181
               49             6              59            1                0.998979
               60             6              61            6                0.991656
               60             6              64            6                0.943682
               60             6              65            1                1.006875
               60             6              66            1                0.981585
               61             6              62            6                0.969568
               61             6              67            1                0.983891
               61             6              68            1                0.997313
               62             6              63            6                0.975061
               62             6              69            1                0.986772
               62             6              70            1                0.992432
               63             6              64            6                0.981615
               63             6              71            1                0.991970
               63             6              72            1                0.990378
               64             6              73            1                0.993811
               64             6              74            1                1.004937
               75             6              76            6                0.978592
               75             6              79            6                0.967351
               75             6              80            1                0.989781
               75             6              81            1                0.995535
               76             6              77            6                0.973292
               76             6              82            1                0.989277
               76             6              83            1                0.992081
               77             6              78            6                0.958948
               77             6              84            1                0.992205
               77             6              85            1                0.993139
               78             6              79            6                0.969007
               78             6              86            1                0.992163
               78             6              87            1                0.994049
               79             6              88            1                0.988987
               79             6              89            1                0.992269
# -----------------------------------------------------------
$ 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     6.1360     6.0000    -0.1360     4.0211     3.7200     0.3011
  1   0     6.1597     6.0000    -0.1597     4.0122     3.7038     0.3084
  2   0     6.1497     6.0000    -0.1497     3.9924     3.6803     0.3121
  3   0     6.1791     6.0000    -0.1791     4.0081     3.6880     0.3201
  4   0     6.1846     6.0000    -0.1846     3.9980     3.6788     0.3192
  5   0     0.9231     1.0000     0.0769     0.9885     0.9365     0.0520
  6   0     0.9151     1.0000     0.0849     0.9897     0.9424     0.0473
  7   0     0.9147     1.0000     0.0853     0.9852     0.9336     0.0516
  8   0     0.9232     1.0000     0.0768     0.9884     0.9385     0.0499
  9   0     0.9298     1.0000     0.0702     0.9913     0.9408     0.0505
 10   0     0.9166     1.0000     0.0834     0.9840     0.9334     0.0506
 11   0     0.9213     1.0000     0.0787     0.9829     0.9280     0.0549
 12   0     0.9117     1.0000     0.0883     0.9907     0.9383     0.0524
 13   0     0.9280     1.0000     0.0720     0.9851     0.9305     0.0546
 14   0     0.9073     1.0000     0.0927     0.9847     0.9339     0.0508
 15   0     6.1128     6.0000    -0.1128     3.9280     3.6071     0.3209
 16   0     6.2116     6.0000    -0.2116     4.0467     3.7252     0.3215
 17   0     6.1523     6.0000    -0.1523     3.9916     3.6689     0.3227
 18   0     6.1176     6.0000    -0.1176     3.9954     3.6855     0.3099
 19   0     6.2359     6.0000    -0.2359     4.0278     3.6992     0.3286
 20   0     0.9490     1.0000     0.0510     1.0063     0.9503     0.0560
 21   0     0.8950     1.0000     0.1050     0.9859     0.9340     0.0519
 22   0     0.9117     1.0000     0.0883     0.9846     0.9317     0.0529
 23   0     0.9057     1.0000     0.0943     0.9792     0.9291     0.0501
 24   0     0.9078     1.0000     0.0922     0.9856     0.9336     0.0520
 25   0     0.9325     1.0000     0.0675     0.9918     0.9361     0.0557
 26   0     0.9209     1.0000     0.0791     0.9933     0.9411     0.0522
 27   0     0.9167     1.0000     0.0833     0.9843     0.9346     0.0497
 28   0     0.9064     1.0000     0.0936     0.9836     0.9298     0.0538
 29   0     0.9198     1.0000     0.0802     0.9797     0.9261     0.0536
 30   0     6.1565     6.0000    -0.1565     3.9801     3.6606     0.3195
 31   0     6.2080     6.0000    -0.2080     4.0112     3.6942     0.3170
 32   0     6.1201     6.0000    -0.1201     3.9917     3.6824     0.3093
 33   0     6.1819     6.0000    -0.1819     4.0080     3.6859     0.3221
 34   0     6.1675     6.0000    -0.1675     4.0016     3.6855     0.3161
 35   0     0.9153     1.0000     0.0847     0.9842     0.9313     0.0529
 36   0     0.9161     1.0000     0.0839     0.9833     0.9305     0.0528
 37   0     0.9117     1.0000     0.0883     0.9841     0.9322     0.0519
 38   0     0.9154     1.0000     0.0846     0.9872     0.9361     0.0511
 39   0     0.9320     1.0000     0.0680     0.9971     0.9465     0.0506
 40   0     0.9096     1.0000     0.0904     0.9850     0.9351     0.0499
 41   0     0.9091     1.0000     0.0909     0.9812     0.9272     0.0540
 42   0     0.9216     1.0000     0.0784     0.9876     0.9348     0.0528
 43   0     0.9221     1.0000     0.0779     0.9859     0.9346     0.0513
 44   0     0.9112     1.0000     0.0888     0.9830     0.9301     0.0529
 45   0     6.1841     6.0000    -0.1841     4.0093     3.6851     0.3242
 46   0     6.1338     6.0000    -0.1338     3.9632     3.6450     0.3182
 47   0     6.2016     6.0000    -0.2016     4.0188     3.6974     0.3214
 48   0     6.1507     6.0000    -0.1507     3.9904     3.6760     0.3144
 49   0     6.1557     6.0000    -0.1557     3.9963     3.6793     0.3170
 50   0     0.9066     1.0000     0.0934     0.9861     0.9343     0.0518
 51   0     0.9193     1.0000     0.0807     0.9902     0.9389     0.0513
 52   0     0.9289     1.0000     0.0711     0.9989     0.9461     0.0528
 53   0     0.9232     1.0000     0.0768     0.9934     0.9434     0.0500
 54   0     0.9181     1.0000     0.0819     0.9852     0.9310     0.0542
 55   0     0.9062     1.0000     0.0938     0.9831     0.9331     0.0500
 56   0     0.9144     1.0000     0.0856     0.9845     0.9353     0.0492
 57   0     0.9262     1.0000     0.0738     0.9888     0.9367     0.0521
 58   0     0.9111     1.0000     0.0889     0.9881     0.9372     0.0509
 59   0     0.9213     1.0000     0.0787     0.9874     0.9352     0.0522
 60   0     6.1584     6.0000    -0.1584     3.9801     3.6646     0.3155
 61   0     6.1840     6.0000    -0.1840     4.0514     3.7346     0.3168
 62   0     6.1350     6.0000    -0.1350     3.9722     3.6454     0.3268
 63   0     6.1693     6.0000    -0.1693     4.0449     3.7345     0.3104
 64   0     6.1752     6.0000    -0.1752     3.9845     3.6681     0.3164
 65   0     0.9318     1.0000     0.0682     0.9867     0.9334     0.0533
 66   0     0.9021     1.0000     0.0979     0.9813     0.9292     0.0521
 67   0     0.9055     1.0000     0.0945     0.9919     0.9431     0.0488
 68   0     0.9196     1.0000     0.0804     0.9828     0.9309     0.0519
 69   0     0.9114     1.0000     0.0886     0.9864     0.9359     0.0505
 70   0     0.9500     1.0000     0.0500     0.9961     0.9391     0.0570
 71   0     0.9187     1.0000     0.0813     0.9933     0.9423     0.0510
 72   0     0.9043     1.0000     0.0957     0.9833     0.9351     0.0482
 73   0     0.9186     1.0000     0.0814     0.9814     0.9280     0.0534
 74   0     0.9210     1.0000     0.0790     0.9829     0.9302     0.0527
 75   0     6.1454     6.0000    -0.1454     4.0026     3.6903     0.3123
 76   0     6.1583     6.0000    -0.1583     4.0179     3.7031     0.3148
 77   0     6.1755     6.0000    -0.1755     3.9881     3.6689     0.3192
 78   0     6.1594     6.0000    -0.1594     3.9819     3.6636     0.3183
 79   0     6.1862     6.0000    -0.1862     4.0059     3.6835     0.3224
 80   0     0.9121     1.0000     0.0879     0.9853     0.9354     0.0499
 81   0     0.9218     1.0000     0.0782     0.9876     0.9357     0.0519
 82   0     0.9136     1.0000     0.0864     0.9856     0.9344     0.0512
 83   0     0.9188     1.0000     0.0812     0.9890     0.9378     0.0512
 84   0     0.9154     1.0000     0.0846     0.9876     0.9367     0.0509
 85   0     0.9251     1.0000     0.0749     0.9848     0.9312     0.0536
 86   0     0.9218     1.0000     0.0782     0.9874     0.9353     0.0521
 87   0     0.9170     1.0000     0.0830     0.9910     0.9426     0.0484
 88   0     0.9091     1.0000     0.0909     0.9873     0.9378     0.0495
 89   0     0.9204     1.0000     0.0796     0.9892     0.9387     0.0505
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.919418
                0             6               4            6                0.919644
                0             6               5            1                0.950878
                0             6               6            1                0.955938
                1             6               2            6                0.904839
                1             6               7            1                0.955376
                1             6               8            1                0.959232
                2             6               3            6                0.912550
                2             6               9            1                0.957892
                2             6              10            1                0.948094
                3             6               4            6                0.904102
                3             6              11            1                0.952456
                3             6              12            1                0.948238
                4             6              13            1                0.947652
                4             6              14            1                0.951140
               15             6              16            6                0.899077
               15             6              19            6                0.891246
               15             6              20            1                0.958386
               15             6              21            1                0.935492
               16             6              17            6                0.913369
               16             6              22            1                0.945243
               16             6              23            1                0.959818
               17             6              18            6                0.914723
               17             6              24            1                0.942628
               17             6              25            1                0.956242
               18             6              19            6                0.909927
               18             6              26            1                0.945311
               18             6              27            1                0.957024
               19             6              28            1                0.946596
               19             6              29            1                0.954919
               30             6              31            6                0.895787
               30             6              34            6                0.905919
               30             6              35            1                0.950522
               30             6              36            1                0.956944
               31             6              32            6                0.910173
               31             6              37            1                0.957135
               31             6              38            1                0.950727
               32             6              33            6                0.905661
               32             6              39            1                0.963292
               32             6              40            1                0.946178
               33             6              34            6                0.910940
               33             6              41            1                0.947886
               33             6              42            1                0.950353
               34             6              43            1                0.959727
               34             6              44            1                0.945970
               45             6              46            6                0.896006
               45             6              49            6                0.908407
               45             6              50            1                0.946579
               45             6              51            1                0.950906
               46             6              47            6                0.900214
               46             6              52            1                0.950878
               46             6              53            1                0.959743
               47             6              48            6                0.910566
               47             6              54            1                0.950733
               47             6              55            1                0.953735
               48             6              49            6                0.905250
               48             6              56            1                0.951228
               48             6              57            1                0.954711
               49             6              58            1                0.947213
               49             6              59            1                0.957704
               60             6              61            6                0.930287
               60             6              64            6                0.883907
               60             6              65            1                0.964389
               60             6              66            1                0.940273
               61             6              62            6                0.905205
               61             6              67            1                0.945946
               61             6              68            1                0.955986
               62             6              63            6                0.911062
               62             6              69            1                0.946887
               62             6              70            1                0.947375
               63             6              64            6                0.921527
               63             6              71            1                0.951828
               63             6              72            1                0.952378
               64             6              73            1                0.951351
               64             6              74            1                0.962782
               75             6              76            6                0.918845
               75             6              79            6                0.904596
               75             6              80            1                0.950510
               75             6              81            1                0.954402
               76             6              77            6                0.909392
               76             6              82            1                0.948800
               76             6              83            1                0.951623
               77             6              78            6                0.898529
               77             6              84            1                0.952090
               77             6              85            1                0.950699
               78             6              79            6                0.900859
               78             6              86            1                0.951305
               78             6              87            1                0.956367
               79             6              88            1                0.950260
               79             6              89            1                0.952778
# -----------------------------------------------------------
$ 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     6.1932     6.0000    -0.1932     4.0128     3.7155     0.2973
  1   0     6.2077     6.0000    -0.2077     3.9902     3.6856     0.3046
  2   0     6.2086     6.0000    -0.2086     3.9753     3.6668     0.3085
  3   0     6.2205     6.0000    -0.2205     3.9870     3.6713     0.3157
  4   0     6.2381     6.0000    -0.2381     3.9907     3.6757     0.3150
  5   0     0.8970     1.0000     0.1030     0.9802     0.9293     0.0509
  6   0     0.8896     1.0000     0.1104     0.9814     0.9351     0.0463
  7   0     0.8915     1.0000     0.1085     0.9787     0.9281     0.0506
  8   0     0.8959     1.0000     0.1041     0.9798     0.9310     0.0488
  9   0     0.9005     1.0000     0.0995     0.9813     0.9320     0.0493
 10   0     0.8918     1.0000     0.1082     0.9775     0.9279     0.0496
 11   0     0.8984     1.0000     0.1016     0.9754     0.9214     0.0540
 12   0     0.8868     1.0000     0.1132     0.9833     0.9320     0.0513
 13   0     0.8996     1.0000     0.1004     0.9756     0.9222     0.0534
 14   0     0.8806     1.0000     0.1194     0.9758     0.9263     0.0495
 15   0     6.1733     6.0000    -0.1733     3.9279     3.6114     0.3165
 16   0     6.2547     6.0000    -0.2547     4.0192     3.7020     0.3172
 17   0     6.2082     6.0000    -0.2082     3.9792     3.6610     0.3182
 18   0     6.1715     6.0000    -0.1715     3.9761     3.6704     0.3057
 19   0     6.2759     6.0000    -0.2759     4.0016     3.6776     0.3240
 20   0     0.9161     1.0000     0.0839     0.9931     0.9385     0.0546
 21   0     0.8740     1.0000     0.1260     0.9825     0.9318     0.0507
 22   0     0.8903     1.0000     0.1097     0.9799     0.9282     0.0517
 23   0     0.8815     1.0000     0.1185     0.9742     0.9252     0.0490
 24   0     0.8846     1.0000     0.1154     0.9800     0.9292     0.0508
 25   0     0.9001     1.0000     0.0999     0.9813     0.9270     0.0543
 26   0     0.8962     1.0000     0.1038     0.9849     0.9337     0.0512
 27   0     0.8945     1.0000     0.1055     0.9807     0.9320     0.0487
 28   0     0.8810     1.0000     0.1190     0.9753     0.9227     0.0526
 29   0     0.8936     1.0000     0.1064     0.9716     0.9192     0.0524
 30   0     6.2111     6.0000    -0.2111     3.9639     3.6484     0.3155
 31   0     6.2571     6.0000    -0.2571     3.9975     3.6845     0.3130
 32   0     6.1822     6.0000    -0.1822     3.9797     3.6741     0.3056
 33   0     6.2275     6.0000    -0.2275     3.9893     3.6713     0.3180
 34   0     6.2207     6.0000    -0.2207     3.9830     3.6709     0.3121
 35   0     0.8889     1.0000     0.1111     0.9756     0.9238     0.0518
 36   0     0.8891     1.0000     0.1109     0.9742     0.9225     0.0517
 37   0     0.8824     1.0000     0.1176     0.9749     0.9243     0.0506
 38   0     0.8901     1.0000     0.1099     0.9795     0.9295     0.0500
 39   0     0.9015     1.0000     0.0985     0.9868     0.9374     0.0494
 40   0     0.8857     1.0000     0.1143     0.9787     0.9299     0.0488
 41   0     0.8857     1.0000     0.1143     0.9747     0.9217     0.0530
 42   0     0.8960     1.0000     0.1040     0.9788     0.9270     0.0518
 43   0     0.8945     1.0000     0.1055     0.9767     0.9264     0.0503
 44   0     0.8862     1.0000     0.1138     0.9749     0.9230     0.0519
 45   0     6.2287     6.0000    -0.2287     3.9912     3.6710     0.3202
 46   0     6.1980     6.0000    -0.1980     3.9592     3.6448     0.3144
 47   0     6.2412     6.0000    -0.2412     3.9906     3.6734     0.3172
 48   0     6.2089     6.0000    -0.2089     3.9686     3.6579     0.3107
 49   0     6.2057     6.0000    -0.2057     3.9779     3.6648     0.3131
 50   0     0.8833     1.0000     0.1167     0.9781     0.9273     0.0508
 51   0     0.8953     1.0000     0.1047     0.9832     0.9329     0.0503
 52   0     0.8994     1.0000     0.1006     0.9920     0.9405     0.0515
 53   0     0.8954     1.0000     0.1046     0.9834     0.9345     0.0489
 54   0     0.8922     1.0000     0.1078     0.9773     0.9241     0.0532
 55   0     0.8832     1.0000     0.1168     0.9771     0.9281     0.0490
 56   0     0.8893     1.0000     0.1107     0.9778     0.9296     0.0482
 57   0     0.8975     1.0000     0.1025     0.9787     0.9278     0.0509
 58   0     0.8869     1.0000     0.1131     0.9807     0.9308     0.0499
 59   0     0.8964     1.0000     0.1036     0.9789     0.9277     0.0512
 60   0     6.2075     6.0000    -0.2075     3.9632     3.6518     0.3114
 61   0     6.2308     6.0000    -0.2308     4.0297     3.7169     0.3128
 62   0     6.1991     6.0000    -0.1991     3.9701     3.6473     0.3228
 63   0     6.2168     6.0000    -0.2168     4.0248     3.7183     0.3065
 64   0     6.2241     6.0000    -0.2241     3.9689     3.6567     0.3122
 65   0     0.9035     1.0000     0.0965     0.9768     0.9247     0.0521
 66   0     0.8808     1.0000     0.1192     0.9753     0.9242     0.0511
 67   0     0.8816     1.0000     0.1184     0.9826     0.9348     0.0478
 68   0     0.8938     1.0000     0.1062     0.9742     0.9233     0.0509
 69   0     0.8876     1.0000     0.1124     0.9793     0.9299     0.0494
 70   0     0.9167     1.0000     0.0833     0.9872     0.9317     0.0555
 71   0     0.8926     1.0000     0.1074     0.9843     0.9344     0.0499
 72   0     0.8822     1.0000     0.1178     0.9772     0.9300     0.0472
 73   0     0.8936     1.0000     0.1064     0.9731     0.9207     0.0524
 74   0     0.8942     1.0000     0.1058     0.9752     0.9237     0.0515
 75   0     6.2015     6.0000    -0.2015     3.9887     3.6803     0.3084
 76   0     6.2081     6.0000    -0.2081     3.9920     3.6810     0.3110
 77   0     6.2263     6.0000    -0.2263     3.9688     3.6536     0.3152
 78   0     6.2112     6.0000    -0.2112     3.9606     3.6461     0.3145
 79   0     6.2362     6.0000    -0.2362     3.9830     3.6643     0.3187
 80   0     0.8871     1.0000     0.1129     0.9784     0.9295     0.0489
 81   0     0.8948     1.0000     0.1052     0.9791     0.9283     0.0508
 82   0     0.8899     1.0000     0.1101     0.9793     0.9291     0.0502
 83   0     0.8934     1.0000     0.1066     0.9808     0.9306     0.0502
 84   0     0.8887     1.0000     0.1113     0.9791     0.9293     0.0498
 85   0     0.8987     1.0000     0.1013     0.9772     0.9246     0.0526
 86   0     0.8963     1.0000     0.1037     0.9799     0.9289     0.0510
 87   0     0.8905     1.0000     0.1095     0.9831     0.9358     0.0473
 88   0     0.8830     1.0000     0.1170     0.9799     0.9315     0.0484
 89   0     0.8944     1.0000     0.1056     0.9809     0.9315     0.0494
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.930059
                0             6               4            6                0.931563
                0             6               5            1                0.935902
                0             6               6            1                0.945321
                1             6               2            6                0.909781
                1             6               7            1                0.940952
                1             6               8            1                0.948039
                2             6               3            6                0.920421
                2             6               9            1                0.947069
                2             6              10            1                0.936368
                3             6               4            6                0.917785
                3             6              11            1                0.934472
                3             6              12            1                0.935221
                4             6              13            1                0.932173
                4             6              14            1                0.937424
               15             6              16            6                0.912479
               15             6              19            6                0.904317
               15             6              20            1                0.942002
               15             6              21            1                0.924090
               16             6              17            6                0.915748
               16             6              22            1                0.926646
               16             6              23            1                0.948393
               17             6              18            6                0.930216
               17             6              24            1                0.928908
               17             6              25            1                0.939585
               18             6              19            6                0.912389
               18             6              26            1                0.929710
               18             6              27            1                0.945251
               19             6              28            1                0.930314
               19             6              29            1                0.941454
               30             6              31            6                0.907746
               30             6              34            6                0.911290
               30             6              35            1                0.936788
               30             6              36            1                0.943085
               31             6              32            6                0.913968
               31             6              37            1                0.945058
               31             6              38            1                0.938753
               32             6              33            6                0.914766
               32             6              39            1                0.954339
               32             6              40            1                0.935599
               33             6              34            6                0.919630
               33             6              41            1                0.935541
               33             6              42            1                0.936651
               34             6              43            1                0.948743
               34             6              44            1                0.931484
               45             6              46            6                0.902382
               45             6              49            6                0.916793
               45             6              50            1                0.935287
               45             6              51            1                0.939326
               46             6              47            6                0.911212
               46             6              52            1                0.939275
               46             6              53            1                0.949598
               47             6              48            6                0.911834
               47             6              54            1                0.935944
               47             6              55            1                0.942640
               48             6              49            6                0.912702
               48             6              56            1                0.941821
               48             6              57            1                0.941151
               49             6              58            1                0.935693
               49             6              59            1                0.944213
               60             6              61            6                0.935307
               60             6              64            6                0.897606
               60             6              65            1                0.951182
               60             6              66            1                0.925226
               61             6              62            6                0.916559
               61             6              67            1                0.933741
               61             6              68            1                0.943068
               62             6              63            6                0.920214
               62             6              69            1                0.936709
               62             6              70            1                0.930781
               63             6              64            6                0.928963
               63             6              71            1                0.939938
               63             6              72            1                0.941723
               64             6              73            1                0.934657
               64             6              74            1                0.950757
               75             6              76            6                0.926958
               75             6              79            6                0.910406
               75             6              80            1                0.939951
               75             6              81            1                0.942385
               76             6              77            6                0.912666
               76             6              82            1                0.937901
               76             6              83            1                0.939516
               77             6              78            6                0.907672
               77             6              84            1                0.940959
               77             6              85            1                0.938313
               78             6              79            6                0.899974
               78             6              86            1                0.939692
               78             6              87            1                0.947863
               79             6              88            1                0.940980
               79             6              89            1                0.943208
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2218915475
        Correlation Energy:       -5.0448521173
        Total MP2 Energy:      -1176.2667436647
# -----------------------------------------------------------
$ 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) :        0.2423225661
        Electronic Contribution:
                  0    
      0       0.048119
      1       0.843165
      2      -0.200779
        Nuclear Contribution:
                  0    
      0      -0.128534
      1      -0.803339
      2       0.232968
        Total Dipole moment:
                  0    
      0      -0.080415
      1       0.039826
      2       0.032189
# -----------------------------------------------------------
$ 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) :        0.2427049221
        Electronic Contribution:
                  0    
      0       0.047725
      1       0.842679
      2      -0.200722
        Nuclear Contribution:
                  0    
      0      -0.128534
      1      -0.803339
      2       0.232968
        Total Dipole moment:
                  0    
      0      -0.080809
      1       0.039339
      2       0.032246
# -----------------------------------------------------------
$ 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) :        0.2141280370
        Electronic Contribution:
                  0    
      0       0.053550
      1       0.816920
      2      -0.197056
        Nuclear Contribution:
                  0    
      0      -0.128534
      1      -0.803339
      2       0.232968
        Total Dipole moment:
                  0    
      0      -0.074984
      1       0.013581
      2       0.035913
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     22.870000000000   18.590000000000   18.910000000000
               1 C     23.180000000000   18.880000000000   17.510000000000
               2 C     23.390000000000   17.560000000000   16.780000000000
               3 C     23.510000000000   16.480000000000   17.820000000000
               4 C     22.800000000000   17.110000000000   19.020000000000
               5 H     21.910000000000   19.060000000000   19.110000000000
               6 H     23.540000000000   18.980000000000   19.580000000000
               7 H     24.070000000000   19.480000000000   17.280000000000
               8 H     22.360000000000   19.300000000000   17.010000000000
               9 H     24.300000000000   17.650000000000   16.260000000000
              10 H     22.640000000000   17.310000000000   16.050000000000
              11 H     24.620000000000   16.310000000000   18.020000000000
              12 H     23.060000000000   15.490000000000   17.600000000000
              13 H     23.260000000000   16.840000000000   20.000000000000
              14 H     21.840000000000   16.630000000000   19.080000000000
              15 C     19.260000000000   15.880000000000   21.700000000000
              16 C     18.350000000000   15.790000000000   22.910000000000
              17 C     17.960000000000   17.260000000000   23.190000000000
              18 C     18.160000000000   18.040000000000   21.960000000000
              19 C     19.160000000000   17.270000000000   21.090000000000
              20 H     18.780000000000   15.220000000000   20.930000000000
              21 H     20.300000000000   15.540000000000   21.830000000000
              22 H     18.780000000000   15.410000000000   23.850000000000
              23 H     17.510000000000   15.170000000000   22.680000000000
              24 H     18.460000000000   17.740000000000   24.060000000000
              25 H     16.870000000000   17.120000000000   23.420000000000
              26 H     18.690000000000   18.980000000000   22.130000000000
              27 H     17.240000000000   18.130000000000   21.440000000000
              28 H     20.160000000000   17.780000000000   20.950000000000
              29 H     18.690000000000   17.270000000000   20.090000000000
              30 C     18.870000000000   11.090000000000   18.990000000000
              31 C     18.950000000000   12.600000000000   19.160000000000
              32 C     19.360000000000   13.160000000000   17.800000000000
              33 C     19.530000000000   11.990000000000   16.800000000000
              34 C     19.240000000000   10.700000000000   17.550000000000
              35 H     17.900000000000   10.690000000000   19.330000000000
              36 H     19.540000000000   10.510000000000   19.630000000000
              37 H     19.700000000000   12.930000000000   19.880000000000
              38 H     18.060000000000   13.040000000000   19.570000000000
              39 H     20.330000000000   13.520000000000   17.890000000000
              40 H     18.730000000000   13.920000000000   17.390000000000
              41 H     20.550000000000   11.900000000000   16.300000000000
              42 H     18.790000000000   12.110000000000   16.000000000000
              43 H     20.120000000000   10.090000000000   17.590000000000
              44 H     18.470000000000   10.000000000000   17.160000000000
              45 C     13.530000000000   15.920000000000   22.800000000000
              46 C     13.770000000000   17.480000000000   22.710000000000
              47 C     12.720000000000   18.140000000000   21.800000000000
              48 C     11.910000000000   16.980000000000   21.190000000000
              49 C     12.200000000000   15.720000000000   22.000000000000
              50 H     13.450000000000   15.600000000000   23.860000000000
              51 H     14.370000000000   15.440000000000   22.330000000000
              52 H     14.790000000000   17.700000000000   22.400000000000
              53 H     13.600000000000   17.850000000000   23.670000000000
              54 H     13.150000000000   18.660000000000   20.900000000000
              55 H     12.150000000000   18.870000000000   22.350000000000
              56 H     12.100000000000   16.860000000000   20.160000000000
              57 H     10.860000000000   17.210000000000   21.310000000000
              58 H     12.150000000000   14.870000000000   21.330000000000
              59 H     11.380000000000   15.660000000000   22.710000000000
              60 C     23.320000000000   13.050000000000   25.400000000000
              61 C     22.330000000000   14.200000000000   25.320000000000
              62 C     21.740000000000   14.020000000000   23.890000000000
              63 C     21.790000000000   12.490000000000   23.570000000000
              64 C     22.940000000000   12.010000000000   24.410000000000
              65 H     23.100000000000   12.460000000000   26.260000000000
              66 H     24.420000000000   13.230000000000   25.460000000000
              67 H     22.750000000000   15.130000000000   25.570000000000
              68 H     21.540000000000   14.060000000000   26.060000000000
              69 H     22.280000000000   14.600000000000   23.170000000000
              70 H     20.710000000000   14.460000000000   24.020000000000
              71 H     22.000000000000   12.380000000000   22.520000000000
              72 H     20.880000000000   12.020000000000   23.780000000000
              73 H     23.810000000000   11.720000000000   23.780000000000
              74 H     22.720000000000   11.090000000000   24.970000000000
              75 C     18.630000000000   21.430000000000   27.490000000000
              76 C     18.470000000000   21.330000000000   28.980000000000
              77 C     18.870000000000   19.890000000000   29.450000000000
              78 C     18.990000000000   19.030000000000   28.220000000000
              79 C     19.040000000000   20.040000000000   26.940000000000
              80 H     19.340000000000   22.160000000000   27.160000000000
              81 H     17.670000000000   21.670000000000   27.040000000000
              82 H     17.440000000000   21.530000000000   29.280000000000
              83 H     19.150000000000   22.010000000000   29.470000000000
              84 H     18.160000000000   19.480000000000   30.150000000000
              85 H     19.860000000000   19.870000000000   29.960000000000
              86 H     18.110000000000   18.390000000000   28.200000000000
              87 H     19.840000000000   18.450000000000   28.270000000000
              88 H     18.430000000000   19.660000000000   26.170000000000
              89 H     20.040000000000   20.050000000000   26.590000000000
