-------------------------------------------------------------
----------------------- !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:    -1171.2210030514
# -----------------------------------------------------------
$ 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     6.1875     6.0000    -0.1875     3.8886     3.8886     0.0000
  1   0     6.0962     6.0000    -0.0962     3.8100     3.8100     0.0000
  2   0     6.2372     6.0000    -0.2372     3.8956     3.8956    -0.0000
  3   0     6.1053     6.0000    -0.1053     3.8741     3.8741    -0.0000
  4   0     6.1888     6.0000    -0.1888     3.9202     3.9202    -0.0000
  5   0     0.9200     1.0000     0.0800     0.9774     0.9774     0.0000
  6   0     0.9096     1.0000     0.0904     0.9703     0.9703    -0.0000
  7   0     0.9778     1.0000     0.0222     1.0164     1.0164     0.0000
  8   0     0.9074     1.0000     0.0926     0.9744     0.9744     0.0000
  9   0     0.9175     1.0000     0.0825     0.9732     0.9732    -0.0000
 10   0     0.9091     1.0000     0.0909     0.9778     0.9778    -0.0000
 11   0     0.9183     1.0000     0.0817     0.9821     0.9821     0.0000
 12   0     0.9074     1.0000     0.0926     0.9765     0.9765    -0.0000
 13   0     0.9115     1.0000     0.0885     0.9727     0.9727    -0.0000
 14   0     0.9119     1.0000     0.0881     0.9780     0.9780     0.0000
 15   0     6.2172     6.0000    -0.2172     3.8789     3.8789     0.0000
 16   0     6.1563     6.0000    -0.1563     3.8919     3.8919     0.0000
 17   0     6.1618     6.0000    -0.1618     3.8959     3.8959     0.0000
 18   0     6.1750     6.0000    -0.1750     3.8533     3.8533     0.0000
 19   0     6.1781     6.0000    -0.1781     3.8940     3.8940     0.0000
 20   0     0.9133     1.0000     0.0867     0.9733     0.9733    -0.0000
 21   0     0.9162     1.0000     0.0838     0.9683     0.9683    -0.0000
 22   0     0.9150     1.0000     0.0850     0.9765     0.9765     0.0000
 23   0     0.9101     1.0000     0.0899     0.9724     0.9724     0.0000
 24   0     0.9074     1.0000     0.0926     0.9642     0.9642     0.0000
 25   0     0.8952     1.0000     0.1048     0.9746     0.9746    -0.0000
 26   0     0.9006     1.0000     0.0994     0.9668     0.9668     0.0000
 27   0     0.9173     1.0000     0.0827     0.9726     0.9726    -0.0000
 28   0     0.9153     1.0000     0.0847     0.9757     0.9757     0.0000
 29   0     0.9130     1.0000     0.0870     0.9710     0.9710     0.0000
 30   0     6.1713     6.0000    -0.1713     3.9164     3.9164     0.0000
 31   0     6.1391     6.0000    -0.1391     3.8885     3.8885     0.0000
 32   0     6.1899     6.0000    -0.1899     3.8970     3.8970     0.0000
 33   0     6.1501     6.0000    -0.1501     3.8926     3.8926    -0.0000
 34   0     6.1694     6.0000    -0.1694     3.8665     3.8665     0.0000
 35   0     0.9111     1.0000     0.0889     0.9755     0.9755    -0.0000
 36   0     0.9133     1.0000     0.0867     0.9776     0.9776     0.0000
 37   0     0.9122     1.0000     0.0878     0.9744     0.9744     0.0000
 38   0     0.9227     1.0000     0.0773     0.9770     0.9770     0.0000
 39   0     0.9094     1.0000     0.0906     0.9762     0.9762    -0.0000
 40   0     0.9245     1.0000     0.0755     0.9728     0.9728     0.0000
 41   0     0.9224     1.0000     0.0776     0.9770     0.9770    -0.0000
 42   0     0.9194     1.0000     0.0806     0.9745     0.9745    -0.0000
 43   0     0.9180     1.0000     0.0820     0.9721     0.9721     0.0000
 44   0     0.9270     1.0000     0.0730     0.9846     0.9846     0.0000
 45   0     6.1820     6.0000    -0.1820     3.8723     3.8723    -0.0000
 46   0     6.1566     6.0000    -0.1566     3.8843     3.8843     0.0000
 47   0     6.1559     6.0000    -0.1559     3.8872     3.8872    -0.0000
 48   0     6.1776     6.0000    -0.1776     3.9094     3.9094     0.0000
 49   0     6.1542     6.0000    -0.1542     3.8857     3.8857     0.0000
 50   0     0.9200     1.0000     0.0800     0.9774     0.9774     0.0000
 51   0     0.9263     1.0000     0.0737     0.9809     0.9809     0.0000
 52   0     0.9222     1.0000     0.0778     0.9731     0.9731     0.0000
 53   0     0.9196     1.0000     0.0804     0.9743     0.9743     0.0000
 54   0     0.9235     1.0000     0.0765     0.9773     0.9773     0.0000
 55   0     0.9004     1.0000     0.0996     0.9740     0.9740     0.0000
 56   0     0.9072     1.0000     0.0928     0.9733     0.9733     0.0000
 57   0     0.9191     1.0000     0.0809     0.9822     0.9822     0.0000
 58   0     0.9228     1.0000     0.0772     0.9793     0.9793    -0.0000
 59   0     0.9129     1.0000     0.0871     0.9727     0.9727    -0.0000
 60   0     6.1230     6.0000    -0.1230     3.8647     3.8647    -0.0000
 61   0     6.1697     6.0000    -0.1697     3.8870     3.8870    -0.0000
 62   0     6.1633     6.0000    -0.1633     3.8830     3.8830    -0.0000
 63   0     6.1575     6.0000    -0.1575     3.9033     3.9033    -0.0000
 64   0     6.1742     6.0000    -0.1742     3.8916     3.8916    -0.0000
 65   0     0.9533     1.0000     0.0467     0.9989     0.9989    -0.0000
 66   0     0.9160     1.0000     0.0840     0.9804     0.9804    -0.0000
 67   0     0.9195     1.0000     0.0805     0.9786     0.9786    -0.0000
 68   0     0.9253     1.0000     0.0747     0.9731     0.9731    -0.0000
 69   0     0.9197     1.0000     0.0803     0.9772     0.9772     0.0000
 70   0     0.9195     1.0000     0.0805     0.9770     0.9770     0.0000
 71   0     0.9174     1.0000     0.0826     0.9807     0.9807    -0.0000
 72   0     0.9145     1.0000     0.0855     0.9757     0.9757    -0.0000
 73   0     0.9078     1.0000     0.0922     0.9728     0.9728    -0.0000
 74   0     0.9203     1.0000     0.0797     0.9750     0.9750    -0.0000
 75   0     6.1874     6.0000    -0.1874     3.8770     3.8770     0.0000
 76   0     6.1424     6.0000    -0.1424     3.9040     3.9040     0.0000
 77   0     6.1367     6.0000    -0.1367     3.8991     3.8991     0.0000
 78   0     6.1618     6.0000    -0.1618     3.8838     3.8838    -0.0000
 79   0     6.1867     6.0000    -0.1867     3.8754     3.8754    -0.0000
 80   0     0.9154     1.0000     0.0846     0.9770     0.9770     0.0000
 81   0     0.9186     1.0000     0.0814     0.9731     0.9731     0.0000
 82   0     0.9144     1.0000     0.0856     0.9792     0.9792     0.0000
 83   0     0.9185     1.0000     0.0815     0.9732     0.9732    -0.0000
 84   0     0.9164     1.0000     0.0836     0.9781     0.9781     0.0000
 85   0     0.9265     1.0000     0.0735     0.9749     0.9749    -0.0000
 86   0     0.9156     1.0000     0.0844     0.9738     0.9738     0.0000
 87   0     0.9244     1.0000     0.0756     0.9748     0.9748    -0.0000
 88   0     0.9256     1.0000     0.0744     0.9795     0.9795    -0.0000
 89   0     0.9109     1.0000     0.0891     0.9747     0.9747     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                0.952181
                0             6               4            6                0.970104
                0             6               5            1                0.992111
                0             6               6            1                0.994337
                1             6               2            6                0.947829
                1             6               7            1                1.002059
                1             6               8            1                0.981431
                2             6               3            6                0.970993
                2             6               9            1                0.993961
                2             6              10            1                0.984645
                3             6               4            6                0.980765
                3             6              11            1                0.988291
                3             6              12            1                0.981844
                4             6              13            1                0.990722
                4             6              14            1                0.992954
               15             6              16            6                0.959845
               15             6              19            6                0.975423
               15             6              20            1                0.999488
               15             6              21            1                0.994118
               16             6              17            6                0.987561
               16             6              22            1                0.996138
               16             6              23            1                0.990249
               17             6              18            6                0.958603
               17             6              24            1                0.982403
               17             6              25            1                0.989193
               18             6              19            6                0.956535
               18             6              26            1                0.994185
               18             6              27            1                0.999365
               19             6              28            1                0.996687
               19             6              29            1                0.990991
               30             6              31            6                0.980893
               30             6              34            6                0.961043
               30             6              35            1                0.994965
               30             6              36            1                0.991877
               31             6              32            6                0.967405
               31             6              37            1                0.984904
               31             6              38            1                0.994041
               32             6              33            6                0.972647
               32             6              39            1                0.989045
               32             6              40            1                0.999139
               33             6              34            6                0.966723
               33             6              41            1                0.992727
               33             6              42            1                0.991147
               34             6              43            1                0.989804
               34             6              44            1                0.996104
               45             6              46            6                0.963529
               45             6              49            6                0.960603
               45             6              50            1                0.994418
               45             6              51            1                0.992298
               46             6              47            6                0.971501
               46             6              52            1                0.992323
               46             6              53            1                0.990903
               47             6              48            6                0.967451
               47             6              54            1                0.996295
               47             6              55            1                0.985308
               48             6              49            6                0.972032
               48             6              56            1                0.989023
               48             6              57            1                0.996358
               49             6              58            1                0.999107
               49             6              59            1                0.992284
               60             6              61            6                0.959987
               60             6              64            6                0.959922
               60             6              65            1                1.000023
               60             6              66            1                0.987538
               61             6              62            6                0.962110
               61             6              67            1                0.998775
               61             6              68            1                0.994500
               62             6              63            6                0.974761
               62             6              69            1                0.993358
               62             6              70            1                0.989221
               63             6              64            6                0.977251
               63             6              71            1                0.990597
               63             6              72            1                0.989334
               64             6              73            1                0.984205
               64             6              74            1                0.993664
               75             6              76            6                0.955403
               75             6              79            6                0.960421
               75             6              80            1                0.995309
               75             6              81            1                0.995128
               76             6              77            6                0.984513
               76             6              82            1                0.993423
               76             6              83            1                0.995690
               77             6              78            6                0.967033
               77             6              84            1                0.988231
               77             6              85            1                0.995619
               78             6              79            6                0.967031
               78             6              86            1                0.991741
               78             6              87            1                1.002817
               79             6              88            1                0.992233
               79             6              89            1                0.988259
# -----------------------------------------------------------
$ 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     6.1953     6.0000    -0.1953     4.0000     3.6740     0.3260
  1   0     6.1035     6.0000    -0.1035     3.9199     3.5895     0.3304
  2   0     6.2437     6.0000    -0.2437     4.0098     3.6728     0.3370
  3   0     6.1135     6.0000    -0.1135     3.9826     3.6599     0.3227
  4   0     6.1962     6.0000    -0.1962     4.0289     3.7058     0.3231
  5   0     0.9163     1.0000     0.0837     0.9871     0.9321     0.0550
  6   0     0.9057     1.0000     0.0943     0.9793     0.9292     0.0501
  7   0     0.9742     1.0000     0.0258     1.0282     0.9726     0.0556
  8   0     0.9035     1.0000     0.0965     0.9838     0.9318     0.0520
  9   0     0.9142     1.0000     0.0858     0.9837     0.9321     0.0516
 10   0     0.9053     1.0000     0.0947     0.9871     0.9342     0.0529
 11   0     0.9144     1.0000     0.0856     0.9915     0.9408     0.0507
 12   0     0.9037     1.0000     0.0963     0.9857     0.9330     0.0527
 13   0     0.9078     1.0000     0.0922     0.9820     0.9280     0.0540
 14   0     0.9081     1.0000     0.0919     0.9871     0.9364     0.0507
 15   0     6.2243     6.0000    -0.2243     3.9933     3.6663     0.3270
 16   0     6.1642     6.0000    -0.1642     4.0025     3.6749     0.3276
 17   0     6.1700     6.0000    -0.1700     4.0078     3.6806     0.3272
 18   0     6.1840     6.0000    -0.1840     3.9708     3.6367     0.3341
 19   0     6.1850     6.0000    -0.1850     4.0029     3.6831     0.3198
 20   0     0.9096     1.0000     0.0904     0.9826     0.9290     0.0536
 21   0     0.9124     1.0000     0.0876     0.9780     0.9252     0.0528
 22   0     0.9113     1.0000     0.0887     0.9861     0.9340     0.0521
 23   0     0.9062     1.0000     0.0938     0.9817     0.9277     0.0540
 24   0     0.9032     1.0000     0.0968     0.9734     0.9204     0.0530
 25   0     0.8914     1.0000     0.1086     0.9837     0.9340     0.0497
 26   0     0.8965     1.0000     0.1035     0.9757     0.9221     0.0536
 27   0     0.9137     1.0000     0.0863     0.9829     0.9301     0.0528
 28   0     0.9115     1.0000     0.0885     0.9851     0.9349     0.0502
 29   0     0.9090     1.0000     0.0910     0.9802     0.9287     0.0515
 30   0     6.1791     6.0000    -0.1791     4.0256     3.7025     0.3231
 31   0     6.1467     6.0000    -0.1467     3.9956     3.6780     0.3176
 32   0     6.1972     6.0000    -0.1972     4.0075     3.6871     0.3204
 33   0     6.1579     6.0000    -0.1579     4.0004     3.6820     0.3184
 34   0     6.1768     6.0000    -0.1768     3.9762     3.6551     0.3211
 35   0     0.9074     1.0000     0.0926     0.9847     0.9340     0.0507
 36   0     0.9096     1.0000     0.0904     0.9869     0.9344     0.0525
 37   0     0.9085     1.0000     0.0915     0.9838     0.9330     0.0508
 38   0     0.9189     1.0000     0.0811     0.9865     0.9338     0.0527
 39   0     0.9057     1.0000     0.0943     0.9854     0.9334     0.0520
 40   0     0.9207     1.0000     0.0793     0.9827     0.9302     0.0525
 41   0     0.9186     1.0000     0.0814     0.9867     0.9361     0.0506
 42   0     0.9156     1.0000     0.0844     0.9841     0.9314     0.0527
 43   0     0.9141     1.0000     0.0859     0.9816     0.9274     0.0542
 44   0     0.9231     1.0000     0.0769     0.9942     0.9427     0.0515
 45   0     6.1889     6.0000    -0.1889     3.9823     3.6613     0.3210
 46   0     6.1647     6.0000    -0.1647     3.9938     3.6690     0.3248
 47   0     6.1631     6.0000    -0.1631     3.9954     3.6754     0.3200
 48   0     6.1849     6.0000    -0.1849     4.0184     3.6964     0.3220
 49   0     6.1619     6.0000    -0.1619     3.9947     3.6753     0.3194
 50   0     0.9161     1.0000     0.0839     0.9868     0.9356     0.0512
 51   0     0.9228     1.0000     0.0772     0.9912     0.9380     0.0532
 52   0     0.9183     1.0000     0.0817     0.9827     0.9276     0.0551
 53   0     0.9158     1.0000     0.0842     0.9839     0.9313     0.0526
 54   0     0.9198     1.0000     0.0802     0.9871     0.9335     0.0536
 55   0     0.8966     1.0000     0.1034     0.9828     0.9327     0.0501
 56   0     0.9034     1.0000     0.0966     0.9824     0.9313     0.0511
 57   0     0.9156     1.0000     0.0844     0.9919     0.9418     0.0501
 58   0     0.9191     1.0000     0.0809     0.9889     0.9384     0.0505
 59   0     0.9092     1.0000     0.0908     0.9822     0.9310     0.0512
 60   0     6.1301     6.0000    -0.1301     3.9717     3.6514     0.3203
 61   0     6.1775     6.0000    -0.1775     3.9959     3.6794     0.3165
 62   0     6.1709     6.0000    -0.1709     3.9918     3.6697     0.3221
 63   0     6.1648     6.0000    -0.1648     4.0110     3.6907     0.3203
 64   0     6.1821     6.0000    -0.1821     4.0026     3.6744     0.3282
 65   0     0.9497     1.0000     0.0503     1.0100     0.9553     0.0547
 66   0     0.9121     1.0000     0.0879     0.9898     0.9390     0.0508
 67   0     0.9157     1.0000     0.0843     0.9881     0.9395     0.0486
 68   0     0.9215     1.0000     0.0785     0.9829     0.9303     0.0526
 69   0     0.9159     1.0000     0.0841     0.9868     0.9354     0.0514
 70   0     0.9157     1.0000     0.0843     0.9864     0.9332     0.0532
 71   0     0.9136     1.0000     0.0864     0.9901     0.9389     0.0512
 72   0     0.9106     1.0000     0.0894     0.9850     0.9340     0.0510
 73   0     0.9041     1.0000     0.0959     0.9820     0.9294     0.0526
 74   0     0.9165     1.0000     0.0835     0.9845     0.9298     0.0547
 75   0     6.1944     6.0000    -0.1944     3.9869     3.6664     0.3205
 76   0     6.1506     6.0000    -0.1506     4.0115     3.6981     0.3134
 77   0     6.1444     6.0000    -0.1444     4.0040     3.6866     0.3174
 78   0     6.1699     6.0000    -0.1699     3.9930     3.6719     0.3211
 79   0     6.1940     6.0000    -0.1940     3.9863     3.6642     0.3221
 80   0     0.9116     1.0000     0.0884     0.9863     0.9329     0.0534
 81   0     0.9149     1.0000     0.0851     0.9829     0.9302     0.0527
 82   0     0.9106     1.0000     0.0894     0.9882     0.9374     0.0508
 83   0     0.9147     1.0000     0.0853     0.9826     0.9293     0.0533
 84   0     0.9125     1.0000     0.0875     0.9873     0.9378     0.0495
 85   0     0.9226     1.0000     0.0774     0.9845     0.9282     0.0563
 86   0     0.9118     1.0000     0.0882     0.9831     0.9295     0.0536
 87   0     0.9206     1.0000     0.0794     0.9845     0.9305     0.0540
 88   0     0.9216     1.0000     0.0784     0.9890     0.9344     0.0546
 89   0     0.9070     1.0000     0.0930     0.9837     0.9330     0.0507
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.889086
                0             6               4            6                0.905753
                0             6               5            1                0.948292
                0             6               6            1                0.954401
                1             6               2            6                0.877666
                1             6               7            1                0.959084
                1             6               8            1                0.940012
                2             6               3            6                0.904438
                2             6               9            1                0.953929
                2             6              10            1                0.942567
                3             6               4            6                0.918426
                3             6              11            1                0.948320
                3             6              12            1                0.939901
                4             6              13            1                0.947332
                4             6              14            1                0.952751
               15             6              16            6                0.896177
               15             6              19            6                0.914162
               15             6              20            1                0.956240
               15             6              21            1                0.952147
               16             6              17            6                0.921704
               16             6              22            1                0.954701
               16             6              23            1                0.946863
               17             6              18            6                0.894975
               17             6              24            1                0.939784
               17             6              25            1                0.949893
               18             6              19            6                0.891069
               18             6              26            1                0.950437
               18             6              27            1                0.957754
               19             6              28            1                0.956931
               19             6              29            1                0.949961
               30             6              31            6                0.915773
               30             6              34            6                0.898199
               30             6              35            1                0.954666
               30             6              36            1                0.949928
               31             6              32            6                0.907589
               31             6              37            1                0.944984
               31             6              38            1                0.952006
               32             6              33            6                0.908634
               32             6              39            1                0.947910
               32             6              40            1                0.957510
               33             6              34            6                0.905061
               33             6              41            1                0.953109
               33             6              42            1                0.949251
               34             6              43            1                0.946332
               34             6              44            1                0.955382
               45             6              46            6                0.899546
               45             6              49            6                0.899017
               45             6              50            1                0.953719
               45             6              51            1                0.950671
               46             6              47            6                0.909322
               46             6              52            1                0.948129
               46             6              53            1                0.949276
               47             6              48            6                0.903714
               47             6              54            1                0.953492
               47             6              55            1                0.945624
               48             6              49            6                0.906741
               48             6              56            1                0.948380
               48             6              57            1                0.957003
               49             6              58            1                0.959211
               49             6              59            1                0.951787
               60             6              61            6                0.897330
               60             6              64            6                0.895471
               60             6              65            1                0.957386
               60             6              66            1                0.947307
               61             6              62            6                0.899767
               61             6              67            1                0.960778
               61             6              68            1                0.952869
               62             6              63            6                0.909830
               62             6              69            1                0.952829
               62             6              70            1                0.946878
               63             6              64            6                0.913906
               63             6              71            1                0.950201
               63             6              72            1                0.948949
               64             6              73            1                0.942481
               64             6              74            1                0.949708
               75             6              76            6                0.897092
               75             6              79            6                0.897030
               75             6              80            1                0.952347
               75             6              81            1                0.953124
               76             6              77            6                0.923298
               76             6              82            1                0.953155
               76             6              83            1                0.952983
               77             6              78            6                0.903546
               77             6              84            1                0.949384
               77             6              85            1                0.950043
               78             6              79            6                0.906833
               78             6              86            1                0.948905
               78             6              87            1                0.959598
               79             6              88            1                0.948295
               79             6              89            1                0.947858
# -----------------------------------------------------------
$ 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     6.2376     6.0000    -0.2376     3.9805     3.6590     0.3215
  1   0     6.1777     6.0000    -0.1777     3.9210     3.5947     0.3263
  2   0     6.2811     6.0000    -0.2811     3.9880     3.6555     0.3325
  3   0     6.1707     6.0000    -0.1707     3.9852     3.6666     0.3186
  4   0     6.2352     6.0000    -0.2352     4.0099     3.6912     0.3187
  5   0     0.8912     1.0000     0.1088     0.9784     0.9245     0.0539
  6   0     0.8829     1.0000     0.1171     0.9735     0.9245     0.0490
  7   0     0.9312     1.0000     0.0688     1.0147     0.9607     0.0540
  8   0     0.8799     1.0000     0.1201     0.9771     0.9262     0.0509
  9   0     0.8897     1.0000     0.1103     0.9782     0.9277     0.0505
 10   0     0.8807     1.0000     0.1193     0.9765     0.9246     0.0519
 11   0     0.8909     1.0000     0.1091     0.9828     0.9331     0.0497
 12   0     0.8840     1.0000     0.1160     0.9785     0.9267     0.0518
 13   0     0.8857     1.0000     0.1143     0.9745     0.9214     0.0531
 14   0     0.8856     1.0000     0.1144     0.9786     0.9289     0.0497
 15   0     6.2690     6.0000    -0.2690     3.9822     3.6598     0.3224
 16   0     6.2070     6.0000    -0.2070     3.9813     3.6581     0.3232
 17   0     6.2268     6.0000    -0.2268     4.0016     3.6786     0.3230
 18   0     6.2353     6.0000    -0.2353     3.9639     3.6341     0.3298
 19   0     6.2319     6.0000    -0.2319     3.9865     3.6709     0.3156
 20   0     0.8821     1.0000     0.1179     0.9717     0.9192     0.0525
 21   0     0.8872     1.0000     0.1128     0.9716     0.9199     0.0517
 22   0     0.8861     1.0000     0.1139     0.9798     0.9289     0.0509
 23   0     0.8860     1.0000     0.1140     0.9755     0.9225     0.0530
 24   0     0.8803     1.0000     0.1197     0.9717     0.9200     0.0517
 25   0     0.8687     1.0000     0.1313     0.9763     0.9278     0.0485
 26   0     0.8733     1.0000     0.1267     0.9691     0.9167     0.0524
 27   0     0.8895     1.0000     0.1105     0.9777     0.9262     0.0515
 28   0     0.8845     1.0000     0.1155     0.9753     0.9263     0.0490
 29   0     0.8855     1.0000     0.1145     0.9732     0.9228     0.0504
 30   0     6.2255     6.0000    -0.2255     4.0077     3.6885     0.3192
 31   0     6.2031     6.0000    -0.2031     3.9885     3.6747     0.3138
 32   0     6.2433     6.0000    -0.2433     3.9902     3.6739     0.3163
 33   0     6.2057     6.0000    -0.2057     3.9776     3.6632     0.3144
 34   0     6.2307     6.0000    -0.2307     3.9755     3.6587     0.3168
 35   0     0.8840     1.0000     0.1160     0.9772     0.9275     0.0497
 36   0     0.8856     1.0000     0.1144     0.9780     0.9265     0.0515
 37   0     0.8858     1.0000     0.1142     0.9763     0.9265     0.0498
 38   0     0.8929     1.0000     0.1071     0.9772     0.9256     0.0516
 39   0     0.8809     1.0000     0.1191     0.9761     0.9251     0.0510
 40   0     0.8939     1.0000     0.1061     0.9730     0.9216     0.0514
 41   0     0.8941     1.0000     0.1059     0.9785     0.9289     0.0496
 42   0     0.8909     1.0000     0.1091     0.9767     0.9251     0.0516
 43   0     0.8899     1.0000     0.1101     0.9746     0.9215     0.0531
 44   0     0.8937     1.0000     0.1063     0.9836     0.9334     0.0502
 45   0     6.2389     6.0000    -0.2389     3.9676     3.6508     0.3168
 46   0     6.2147     6.0000    -0.2147     3.9761     3.6555     0.3206
 47   0     6.2124     6.0000    -0.2124     3.9887     3.6727     0.3160
 48   0     6.2337     6.0000    -0.2337     4.0041     3.6858     0.3183
 49   0     6.2153     6.0000    -0.2153     3.9806     3.6651     0.3155
 50   0     0.8883     1.0000     0.1117     0.9768     0.9268     0.0500
 51   0     0.8950     1.0000     0.1050     0.9833     0.9313     0.0520
 52   0     0.8923     1.0000     0.1077     0.9748     0.9209     0.0539
 53   0     0.8916     1.0000     0.1084     0.9764     0.9248     0.0516
 54   0     0.8942     1.0000     0.1058     0.9774     0.9248     0.0526
 55   0     0.8760     1.0000     0.1240     0.9764     0.9272     0.0492
 56   0     0.8812     1.0000     0.1188     0.9746     0.9244     0.0502
 57   0     0.8892     1.0000     0.1108     0.9810     0.9319     0.0491
 58   0     0.8915     1.0000     0.1085     0.9790     0.9296     0.0494
 59   0     0.8855     1.0000     0.1145     0.9744     0.9242     0.0502
 60   0     6.1869     6.0000    -0.1869     3.9631     3.6467     0.3164
 61   0     6.2303     6.0000    -0.2303     3.9745     3.6620     0.3125
 62   0     6.2156     6.0000    -0.2156     3.9675     3.6494     0.3181
 63   0     6.2158     6.0000    -0.2158     3.9940     3.6776     0.3164
 64   0     6.2283     6.0000    -0.2283     3.9878     3.6638     0.3240
 65   0     0.9189     1.0000     0.0811     1.0001     0.9467     0.0534
 66   0     0.8879     1.0000     0.1121     0.9825     0.9328     0.0497
 67   0     0.8889     1.0000     0.1111     0.9802     0.9327     0.0475
 68   0     0.8950     1.0000     0.1050     0.9747     0.9232     0.0515
 69   0     0.8920     1.0000     0.1080     0.9801     0.9297     0.0504
 70   0     0.8912     1.0000     0.1088     0.9787     0.9266     0.0521
 71   0     0.8884     1.0000     0.1116     0.9813     0.9312     0.0501
 72   0     0.8873     1.0000     0.1127     0.9782     0.9282     0.0500
 73   0     0.8825     1.0000     0.1175     0.9758     0.9242     0.0516
 74   0     0.8917     1.0000     0.1083     0.9767     0.9231     0.0536
 75   0     6.2478     6.0000    -0.2478     3.9793     3.6632     0.3161
 76   0     6.2082     6.0000    -0.2082     4.0041     3.6947     0.3094
 77   0     6.1952     6.0000    -0.1952     3.9850     3.6717     0.3133
 78   0     6.2144     6.0000    -0.2144     3.9740     3.6573     0.3167
 79   0     6.2461     6.0000    -0.2461     3.9758     3.6580     0.3178
 80   0     0.8846     1.0000     0.1154     0.9769     0.9247     0.0522
 81   0     0.8879     1.0000     0.1121     0.9754     0.9239     0.0515
 82   0     0.8846     1.0000     0.1154     0.9797     0.9300     0.0497
 83   0     0.8890     1.0000     0.1110     0.9741     0.9218     0.0523
 84   0     0.8904     1.0000     0.1096     0.9822     0.9336     0.0486
 85   0     0.8975     1.0000     0.1025     0.9771     0.9218     0.0553
 86   0     0.8875     1.0000     0.1125     0.9767     0.9242     0.0525
 87   0     0.8961     1.0000     0.1039     0.9770     0.9241     0.0529
 88   0     0.8919     1.0000     0.1081     0.9784     0.9251     0.0533
 89   0     0.8814     1.0000     0.1186     0.9752     0.9256     0.0496
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.904108
                0             6               4            6                0.911165
                0             6               5            1                0.933106
                0             6               6            1                0.943416
                1             6               2            6                0.879931
                1             6               7            1                0.949333
                1             6               8            1                0.928197
                2             6               3            6                0.914611
                2             6               9            1                0.944201
                2             6              10            1                0.929729
                3             6               4            6                0.934056
                3             6              11            1                0.937457
                3             6              12            1                0.926181
                4             6              13            1                0.932134
                4             6              14            1                0.940338
               15             6              16            6                0.908482
               15             6              19            6                0.921877
               15             6              20            1                0.940979
               15             6              21            1                0.937147
               16             6              17            6                0.923928
               16             6              22            1                0.942220
               16             6              23            1                0.930154
               17             6              18            6                0.907172
               17             6              24            1                0.927528
               17             6              25            1                0.937659
               18             6              19            6                0.898287
               18             6              26            1                0.935568
               18             6              27            1                0.944407
               19             6              28            1                0.944326
               19             6              29            1                0.937657
               30             6              31            6                0.922339
               30             6              34            6                0.910576
               30             6              35            1                0.942714
               30             6              36            1                0.936770
               31             6              32            6                0.920779
               31             6              37            1                0.933591
               31             6              38            1                0.938506
               32             6              33            6                0.914044
               32             6              39            1                0.933351
               32             6              40            1                0.944308
               33             6              34            6                0.913573
               33             6              41            1                0.940919
               33             6              42            1                0.936356
               34             6              43            1                0.933823
               34             6              44            1                0.944362
               45             6              46            6                0.905474
               45             6              49            6                0.907362
               45             6              50            1                0.940577
               45             6              51            1                0.939539
               46             6              47            6                0.921415
               46             6              52            1                0.934490
               46             6              53            1                0.937021
               47             6              48            6                0.913526
               47             6              54            1                0.939997
               47             6              55            1                0.934480
               48             6              49            6                0.913447
               48             6              56            1                0.936740
               48             6              57            1                0.945199
               49             6              58            1                0.948096
               49             6              59            1                0.939200
               60             6              61            6                0.905738
               60             6              64            6                0.904434
               60             6              65            1                0.945195
               60             6              66            1                0.936970
               61             6              62            6                0.904093
               61             6              67            1                0.951001
               61             6              68            1                0.939653
               62             6              63            6                0.914595
               62             6              69            1                0.941596
               62             6              70            1                0.934676
               63             6              64            6                0.923561
               63             6              71            1                0.938121
               63             6              72            1                0.938325
               64             6              73            1                0.930071
               64             6              74            1                0.936605
               75             6              76            6                0.915010
               75             6              79            6                0.902472
               75             6              80            1                0.937502
               75             6              81            1                0.937282
               76             6              77            6                0.931014
               76             6              82            1                0.938282
               76             6              83            1                0.938527
               77             6              78            6                0.909882
               77             6              84            1                0.939646
               77             6              85            1                0.935757
               78             6              79            6                0.920444
               78             6              86            1                0.935359
               78             6              87            1                0.942962
               79             6              88            1                0.933503
               79             6              89            1                0.936144
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2210030514
        Correlation Energy:       -5.0548140407
        Total MP2 Energy:      -1176.2758170921
# -----------------------------------------------------------
$ 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) :        0.2334768532
        Electronic Contribution:
                  0    
      0      -0.071658
      1      -0.522375
      2       0.429947
        Nuclear Contribution:
                  0    
      0       0.016067
      1       0.594471
      2      -0.417736
        Total Dipole moment:
                  0    
      0      -0.055591
      1       0.072096
      2       0.012210
# -----------------------------------------------------------
$ 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) :        0.2347360550
        Electronic Contribution:
                  0    
      0      -0.071074
      1      -0.521165
      2       0.429097
        Nuclear Contribution:
                  0    
      0       0.016067
      1       0.594471
      2      -0.417736
        Total Dipole moment:
                  0    
      0      -0.055007
      1       0.073306
      2       0.011361
# -----------------------------------------------------------
$ 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) :        0.2342622955
        Electronic Contribution:
                  0    
      0      -0.054160
      1      -0.510690
      2       0.412849
        Nuclear Contribution:
                  0    
      0       0.016067
      1       0.594471
      2      -0.417736
        Total Dipole moment:
                  0    
      0      -0.038093
      1       0.083781
      2      -0.004888
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     20.340000000000   17.630000000000   19.930000000000
               1 C     21.040000000000   17.930000000000   21.280000000000
               2 C     20.490000000000   16.790000000000   22.310000000000
               3 C     20.120000000000   15.570000000000   21.340000000000
               4 C     19.860000000000   16.140000000000   19.930000000000
               5 H     21.050000000000   17.730000000000   19.050000000000
               6 H     19.570000000000   18.360000000000   19.830000000000
               7 H     20.630000000000   18.780000000000   21.780000000000
               8 H     22.130000000000   18.060000000000   21.160000000000
               9 H     19.700000000000   17.230000000000   22.840000000000
              10 H     21.240000000000   16.660000000000   23.110000000000
              11 H     19.200000000000   15.140000000000   21.680000000000
              12 H     21.010000000000   14.890000000000   21.420000000000
              13 H     18.770000000000   16.210000000000   19.630000000000
              14 H     20.390000000000   15.570000000000   19.180000000000
              15 C     19.050000000000   22.610000000000   21.800000000000
              16 C     20.610000000000   22.380000000000   21.800000000000
              17 C     21.000000000000   21.400000000000   22.960000000000
              18 C     19.630000000000   20.980000000000   23.590000000000
              19 C     18.430000000000   21.700000000000   22.840000000000
              20 H     18.660000000000   22.500000000000   20.770000000000
              21 H     18.660000000000   23.610000000000   21.940000000000
              22 H     21.180000000000   23.280000000000   21.970000000000
              23 H     20.870000000000   21.960000000000   20.780000000000
              24 H     21.620000000000   21.950000000000   23.710000000000
              25 H     21.570000000000   20.600000000000   22.550000000000
              26 H     19.650000000000   21.100000000000   24.710000000000
              27 H     19.360000000000   19.950000000000   23.550000000000
              28 H     17.900000000000   22.270000000000   23.550000000000
              29 H     17.720000000000   20.990000000000   22.410000000000
              30 C     26.070000000000   20.820000000000   22.210000000000
              31 C     27.260000000000   21.120000000000   21.200000000000
              32 C     26.670000000000   21.030000000000   19.820000000000
              33 C     25.370000000000   20.150000000000   19.930000000000
              34 C     24.920000000000   20.180000000000   21.380000000000
              35 H     25.740000000000   21.720000000000   22.700000000000
              36 H     26.340000000000   20.130000000000   23.030000000000
              37 H     28.130000000000   20.480000000000   21.290000000000
              38 H     27.610000000000   22.150000000000   21.380000000000
              39 H     27.340000000000   20.760000000000   18.990000000000
              40 H     26.420000000000   22.030000000000   19.490000000000
              41 H     25.600000000000   19.160000000000   19.600000000000
              42 H     24.540000000000   20.530000000000   19.310000000000
              43 H     24.690000000000   19.120000000000   21.690000000000
              44 H     23.990000000000   20.720000000000   21.420000000000
              45 C     18.410000000000   17.710000000000   25.970000000000
              46 C     17.350000000000   16.570000000000   25.820000000000
              47 C     17.490000000000   15.580000000000   26.980000000000
              48 C     18.520000000000   16.200000000000   28.010000000000
              49 C     18.940000000000   17.610000000000   27.410000000000
              50 H     17.900000000000   18.620000000000   25.730000000000
              51 H     19.230000000000   17.700000000000   25.250000000000
              52 H     17.540000000000   16.050000000000   24.830000000000
              53 H     16.350000000000   17.030000000000   25.770000000000
              54 H     17.950000000000   14.710000000000   26.480000000000
              55 H     16.530000000000   15.240000000000   27.360000000000
              56 H     19.410000000000   15.620000000000   28.260000000000
              57 H     18.090000000000   16.390000000000   28.950000000000
              58 H     19.990000000000   17.710000000000   27.370000000000
              59 H     18.630000000000   18.430000000000   28.050000000000
              60 C     15.230000000000   23.500000000000   22.170000000000
              61 C     14.450000000000   23.420000000000   20.830000000000
              62 C     13.500000000000   24.610000000000   20.720000000000
              63 C     13.830000000000   25.560000000000   21.940000000000
              64 C     14.650000000000   24.730000000000   22.970000000000
              65 H     16.290000000000   23.710000000000   22.010000000000
              66 H     15.150000000000   22.540000000000   22.650000000000
              67 H     13.920000000000   22.540000000000   20.720000000000
              68 H     15.120000000000   23.460000000000   19.970000000000
              69 H     12.510000000000   24.170000000000   20.750000000000
              70 H     13.690000000000   25.110000000000   19.740000000000
              71 H     12.870000000000   25.890000000000   22.310000000000
              72 H     14.430000000000   26.410000000000   21.630000000000
              73 H     14.030000000000   24.430000000000   23.850000000000
              74 H     15.520000000000   25.370000000000   23.320000000000
              75 C     22.040000000000   24.660000000000   24.790000000000
              76 C     22.400000000000   25.980000000000   25.390000000000
              77 C     21.510000000000   26.210000000000   26.590000000000
              78 C     20.740000000000   24.920000000000   26.850000000000
              79 C     21.090000000000   23.930000000000   25.770000000000
              80 H     22.850000000000   23.940000000000   24.550000000000
              81 H     21.500000000000   24.670000000000   23.850000000000
              82 H     22.370000000000   26.810000000000   24.700000000000
              83 H     23.480000000000   25.940000000000   25.660000000000
              84 H     20.820000000000   27.000000000000   26.420000000000
              85 H     22.220000000000   26.320000000000   27.500000000000
              86 H     19.660000000000   25.210000000000   26.970000000000
              87 H     21.140000000000   24.650000000000   27.850000000000
              88 H     20.110000000000   23.650000000000   25.310000000000
              89 H     21.460000000000   23.020000000000   26.210000000000
