-------------------------------------------------------------
----------------------- !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:    -1171.1892390635
# -----------------------------------------------------------
$ 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     6.1947     6.0000    -0.1947     3.9087     3.9087    -0.0000
  1   0     6.1938     6.0000    -0.1938     3.8872     3.8872    -0.0000
  2   0     6.1259     6.0000    -0.1259     3.9006     3.9006     0.0000
  3   0     6.1755     6.0000    -0.1755     3.9170     3.9170     0.0000
  4   0     6.1187     6.0000    -0.1187     3.8905     3.8905    -0.0000
  5   0     0.9150     1.0000     0.0850     0.9732     0.9732    -0.0000
  6   0     0.9156     1.0000     0.0844     0.9822     0.9822    -0.0000
  7   0     0.9081     1.0000     0.0919     0.9692     0.9692     0.0000
  8   0     0.9131     1.0000     0.0869     0.9752     0.9752     0.0000
  9   0     0.9212     1.0000     0.0788     0.9850     0.9850     0.0000
 10   0     0.9139     1.0000     0.0861     0.9725     0.9725    -0.0000
 11   0     0.9328     1.0000     0.0672     0.9726     0.9726     0.0000
 12   0     0.9176     1.0000     0.0824     0.9715     0.9715     0.0000
 13   0     0.9274     1.0000     0.0726     0.9758     0.9758    -0.0000
 14   0     0.9275     1.0000     0.0725     0.9879     0.9879    -0.0000
 15   0     6.1793     6.0000    -0.1793     3.8853     3.8853     0.0000
 16   0     6.1785     6.0000    -0.1785     3.8736     3.8736     0.0000
 17   0     6.1518     6.0000    -0.1518     3.8748     3.8748     0.0000
 18   0     6.1880     6.0000    -0.1880     3.8733     3.8733    -0.0000
 19   0     6.1437     6.0000    -0.1437     3.8615     3.8615     0.0000
 20   0     0.9090     1.0000     0.0910     0.9754     0.9754     0.0000
 21   0     0.9145     1.0000     0.0855     0.9777     0.9777    -0.0000
 22   0     0.9065     1.0000     0.0935     0.9748     0.9748     0.0000
 23   0     0.9220     1.0000     0.0780     0.9758     0.9758     0.0000
 24   0     0.9087     1.0000     0.0913     0.9778     0.9778     0.0000
 25   0     0.9227     1.0000     0.0773     0.9844     0.9844     0.0000
 26   0     0.9157     1.0000     0.0843     0.9760     0.9760    -0.0000
 27   0     0.9236     1.0000     0.0764     0.9754     0.9754     0.0000
 28   0     0.9206     1.0000     0.0794     0.9778     0.9778    -0.0000
 29   0     0.9154     1.0000     0.0846     0.9817     0.9817     0.0000
 30   0     6.1869     6.0000    -0.1869     3.9076     3.9076     0.0000
 31   0     6.1418     6.0000    -0.1418     3.8443     3.8443     0.0000
 32   0     6.1834     6.0000    -0.1834     3.8861     3.8861    -0.0000
 33   0     6.1721     6.0000    -0.1721     3.8921     3.8921    -0.0000
 34   0     6.1410     6.0000    -0.1410     3.8690     3.8690     0.0000
 35   0     0.9162     1.0000     0.0838     0.9841     0.9841     0.0000
 36   0     0.9061     1.0000     0.0939     0.9738     0.9738     0.0000
 37   0     0.9231     1.0000     0.0769     0.9749     0.9749     0.0000
 38   0     0.9257     1.0000     0.0743     0.9725     0.9725     0.0000
 39   0     0.9151     1.0000     0.0849     0.9753     0.9753    -0.0000
 40   0     0.9163     1.0000     0.0837     0.9797     0.9797    -0.0000
 41   0     0.9213     1.0000     0.0787     0.9739     0.9739     0.0000
 42   0     0.9140     1.0000     0.0860     0.9801     0.9801     0.0000
 43   0     0.9263     1.0000     0.0737     0.9776     0.9776     0.0000
 44   0     0.9099     1.0000     0.0901     0.9727     0.9727     0.0000
 45   0     6.1820     6.0000    -0.1820     3.9120     3.9120     0.0000
 46   0     6.1242     6.0000    -0.1242     3.8652     3.8652     0.0000
 47   0     6.1932     6.0000    -0.1932     3.9144     3.9144     0.0000
 48   0     6.1331     6.0000    -0.1331     3.8771     3.8771     0.0000
 49   0     6.1706     6.0000    -0.1706     3.8764     3.8764     0.0000
 50   0     0.9228     1.0000     0.0772     0.9759     0.9759     0.0000
 51   0     0.9091     1.0000     0.0909     0.9739     0.9739     0.0000
 52   0     0.9376     1.0000     0.0624     0.9814     0.9814     0.0000
 53   0     0.9204     1.0000     0.0796     0.9766     0.9766    -0.0000
 54   0     0.9142     1.0000     0.0858     0.9770     0.9770     0.0000
 55   0     0.9094     1.0000     0.0906     0.9798     0.9798    -0.0000
 56   0     0.9237     1.0000     0.0763     0.9828     0.9828     0.0000
 57   0     0.9182     1.0000     0.0818     0.9782     0.9782     0.0000
 58   0     0.9331     1.0000     0.0669     0.9725     0.9725     0.0000
 59   0     0.9108     1.0000     0.0892     0.9717     0.9717     0.0000
 60   0     6.0995     6.0000    -0.0995     3.8962     3.8962     0.0000
 61   0     6.1822     6.0000    -0.1822     3.9118     3.9118    -0.0000
 62   0     6.1554     6.0000    -0.1554     3.8715     3.8715     0.0000
 63   0     6.1916     6.0000    -0.1916     3.8899     3.8899    -0.0000
 64   0     6.1727     6.0000    -0.1727     3.8892     3.8892    -0.0000
 65   0     0.9209     1.0000     0.0791     0.9787     0.9787    -0.0000
 66   0     0.9255     1.0000     0.0745     0.9801     0.9801     0.0000
 67   0     0.9229     1.0000     0.0771     0.9745     0.9745    -0.0000
 68   0     0.9171     1.0000     0.0829     0.9760     0.9760    -0.0000
 69   0     0.9273     1.0000     0.0727     0.9750     0.9750     0.0000
 70   0     0.9062     1.0000     0.0938     0.9778     0.9778    -0.0000
 71   0     0.9308     1.0000     0.0692     0.9821     0.9821    -0.0000
 72   0     0.9108     1.0000     0.0892     0.9754     0.9754    -0.0000
 73   0     0.9128     1.0000     0.0872     0.9708     0.9708    -0.0000
 74   0     0.9230     1.0000     0.0770     0.9801     0.9801    -0.0000
 75   0     6.1542     6.0000    -0.1542     3.9008     3.9008     0.0000
 76   0     6.1748     6.0000    -0.1748     3.8964     3.8964    -0.0000
 77   0     6.1226     6.0000    -0.1226     3.8539     3.8539    -0.0000
 78   0     6.2294     6.0000    -0.2294     3.8812     3.8812    -0.0000
 79   0     6.1560     6.0000    -0.1560     3.8941     3.8941     0.0000
 80   0     0.9204     1.0000     0.0796     0.9745     0.9745     0.0000
 81   0     0.9114     1.0000     0.0886     0.9754     0.9754     0.0000
 82   0     0.9189     1.0000     0.0811     0.9753     0.9753    -0.0000
 83   0     0.9140     1.0000     0.0860     0.9722     0.9722    -0.0000
 84   0     0.9121     1.0000     0.0879     0.9743     0.9743    -0.0000
 85   0     0.9363     1.0000     0.0637     0.9973     0.9973    -0.0000
 86   0     0.9067     1.0000     0.0933     0.9710     0.9710     0.0000
 87   0     0.9178     1.0000     0.0822     0.9700     0.9700     0.0000
 88   0     0.9148     1.0000     0.0852     0.9757     0.9757    -0.0000
 89   0     0.9096     1.0000     0.0904     0.9724     0.9724     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                0.968081
                0             6               4            6                0.981168
                0             6               5            1                0.992132
                0             6               6            1                0.991396
                1             6               2            6                0.969153
                1             6               7            1                0.989403
                1             6               8            1                0.987570
                2             6               3            6                0.974592
                2             6               9            1                0.997701
                2             6              10            1                0.988761
                3             6               4            6                0.974014
                3             6              11            1                0.998519
                3             6              12            1                0.991275
                4             6              13            1                0.988467
                4             6              14            1                0.987378
               15             6              16            6                0.961436
               15             6              19            6                0.963470
               15             6              20            1                0.988903
               15             6              21            1                0.995321
               16             6              17            6                0.963584
               16             6              22            1                0.985381
               16             6              23            1                0.997665
               17             6              18            6                0.963301
               17             6              24            1                0.982666
               17             6              25            1                0.992540
               18             6              19            6                0.959579
               18             6              26            1                0.992090
               18             6              27            1                0.996042
               19             6              28            1                0.990586
               19             6              29            1                0.990467
               30             6              31            6                0.956598
               30             6              34            6                0.971713
               30             6              35            1                0.996693
               30             6              36            1                0.987696
               31             6              32            6                0.959804
               31             6              37            1                0.995199
               31             6              38            1                0.999005
               32             6              33            6                0.970343
               32             6              39            1                0.983480
               32             6              40            1                0.994059
               33             6              34            6                0.965381
               33             6              41            1                0.993536
               33             6              42            1                0.992537
               34             6              43            1                0.996127
               34             6              44            1                0.987338
               45             6              46            6                0.967774
               45             6              49            6                0.974294
               45             6              50            1                0.990783
               45             6              51            1                0.992232
               46             6              47            6                0.966908
               46             6              52            1                0.990110
               46             6              53            1                0.996929
               47             6              48            6                0.972069
               47             6              54            1                0.988323
               47             6              55            1                0.990491
               48             6              49            6                0.955775
               48             6              56            1                1.001902
               48             6              57            1                0.993573
               49             6              58            1                1.000856
               49             6              59            1                0.985724
               60             6              61            6                0.980905
               60             6              64            6                0.965781
               60             6              65            1                0.993185
               60             6              66            1                0.992737
               61             6              62            6                0.968959
               61             6              67            1                0.995686
               61             6              68            1                0.986050
               62             6              63            6                0.964153
               62             6              69            1                1.001913
               62             6              70            1                0.985990
               63             6              64            6                0.965524
               63             6              71            1                0.993883
               63             6              72            1                0.985635
               64             6              73            1                0.986796
               64             6              74            1                1.003598
               75             6              76            6                0.970384
               75             6              79            6                0.976780
               75             6              80            1                0.997102
               75             6              81            1                0.988912
               76             6              77            6                0.964168
               76             6              82            1                0.994283
               76             6              83            1                0.995344
               77             6              78            6                0.954826
               77             6              84            1                0.982963
               77             6              85            1                0.996288
               78             6              79            6                0.964549
               78             6              86            1                0.990154
               78             6              87            1                0.996768
               79             6              88            1                0.991788
               79             6              89            1                0.996145
# -----------------------------------------------------------
$ 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     6.2021     6.0000    -0.2021     4.0206     3.6947     0.3259
  1   0     6.2024     6.0000    -0.2024     4.0010     3.6687     0.3323
  2   0     6.1343     6.0000    -0.1343     4.0083     3.6925     0.3158
  3   0     6.1836     6.0000    -0.1836     4.0256     3.7117     0.3139
  4   0     6.1266     6.0000    -0.1266     3.9966     3.6783     0.3183
  5   0     0.9112     1.0000     0.0888     0.9828     0.9313     0.0515
  6   0     0.9115     1.0000     0.0885     0.9913     0.9387     0.0526
  7   0     0.9042     1.0000     0.0958     0.9783     0.9222     0.0561
  8   0     0.9090     1.0000     0.0910     0.9841     0.9285     0.0556
  9   0     0.9174     1.0000     0.0826     0.9944     0.9444     0.0500
 10   0     0.9098     1.0000     0.0902     0.9818     0.9291     0.0527
 11   0     0.9285     1.0000     0.0715     0.9823     0.9301     0.0522
 12   0     0.9136     1.0000     0.0864     0.9810     0.9290     0.0520
 13   0     0.9235     1.0000     0.0765     0.9857     0.9315     0.0542
 14   0     0.9232     1.0000     0.0768     0.9970     0.9450     0.0520
 15   0     6.1869     6.0000    -0.1869     3.9962     3.6694     0.3268
 16   0     6.1859     6.0000    -0.1859     3.9858     3.6549     0.3309
 17   0     6.1590     6.0000    -0.1590     3.9835     3.6632     0.3203
 18   0     6.1958     6.0000    -0.1958     3.9862     3.6534     0.3328
 19   0     6.1511     6.0000    -0.1511     3.9696     3.6473     0.3223
 20   0     0.9053     1.0000     0.0947     0.9845     0.9320     0.0525
 21   0     0.9108     1.0000     0.0892     0.9872     0.9359     0.0513
 22   0     0.9027     1.0000     0.0973     0.9840     0.9310     0.0530
 23   0     0.9185     1.0000     0.0815     0.9860     0.9300     0.0560
 24   0     0.9051     1.0000     0.0949     0.9870     0.9355     0.0515
 25   0     0.9187     1.0000     0.0813     0.9936     0.9429     0.0507
 26   0     0.9120     1.0000     0.0880     0.9856     0.9334     0.0522
 27   0     0.9198     1.0000     0.0802     0.9853     0.9313     0.0540
 28   0     0.9169     1.0000     0.0831     0.9875     0.9340     0.0535
 29   0     0.9117     1.0000     0.0883     0.9910     0.9430     0.0480
 30   0     6.1941     6.0000    -0.1941     4.0165     3.6932     0.3233
 31   0     6.1499     6.0000    -0.1499     3.9541     3.6330     0.3211
 32   0     6.1912     6.0000    -0.1912     3.9971     3.6726     0.3245
 33   0     6.1794     6.0000    -0.1794     4.0005     3.6815     0.3190
 34   0     6.1485     6.0000    -0.1485     3.9777     3.6583     0.3194
 35   0     0.9125     1.0000     0.0875     0.9933     0.9436     0.0497
 36   0     0.9025     1.0000     0.0975     0.9828     0.9302     0.0526
 37   0     0.9193     1.0000     0.0807     0.9847     0.9313     0.0534
 38   0     0.9218     1.0000     0.0782     0.9824     0.9274     0.0550
 39   0     0.9112     1.0000     0.0888     0.9847     0.9310     0.0537
 40   0     0.9124     1.0000     0.0876     0.9890     0.9392     0.0498
 41   0     0.9176     1.0000     0.0824     0.9836     0.9310     0.0526
 42   0     0.9103     1.0000     0.0897     0.9893     0.9386     0.0507
 43   0     0.9225     1.0000     0.0775     0.9875     0.9348     0.0527
 44   0     0.9061     1.0000     0.0939     0.9821     0.9300     0.0521
 45   0     6.1898     6.0000    -0.1898     4.0215     3.6999     0.3216
 46   0     6.1316     6.0000    -0.1316     3.9725     3.6582     0.3143
 47   0     6.2006     6.0000    -0.2006     4.0248     3.7005     0.3243
 48   0     6.1408     6.0000    -0.1408     3.9846     3.6679     0.3167
 49   0     6.1785     6.0000    -0.1785     3.9856     3.6645     0.3211
 50   0     0.9190     1.0000     0.0810     0.9855     0.9310     0.0545
 51   0     0.9054     1.0000     0.0946     0.9831     0.9325     0.0506
 52   0     0.9340     1.0000     0.0660     0.9924     0.9390     0.0534
 53   0     0.9163     1.0000     0.0837     0.9861     0.9365     0.0496
 54   0     0.9106     1.0000     0.0894     0.9866     0.9353     0.0513
 55   0     0.9056     1.0000     0.0944     0.9886     0.9370     0.0516
 56   0     0.9198     1.0000     0.0802     0.9923     0.9408     0.0515
 57   0     0.9143     1.0000     0.0857     0.9876     0.9367     0.0509
 58   0     0.9293     1.0000     0.0707     0.9826     0.9268     0.0558
 59   0     0.9069     1.0000     0.0931     0.9808     0.9272     0.0536
 60   0     6.1078     6.0000    -0.1078     4.0006     3.6891     0.3115
 61   0     6.1900     6.0000    -0.1900     4.0204     3.6972     0.3232
 62   0     6.1627     6.0000    -0.1627     3.9812     3.6591     0.3221
 63   0     6.1985     6.0000    -0.1985     3.9998     3.6759     0.3239
 64   0     6.1805     6.0000    -0.1805     3.9999     3.6809     0.3190
 65   0     0.9169     1.0000     0.0831     0.9880     0.9389     0.0491
 66   0     0.9217     1.0000     0.0783     0.9897     0.9381     0.0516
 67   0     0.9190     1.0000     0.0810     0.9839     0.9315     0.0524
 68   0     0.9135     1.0000     0.0865     0.9856     0.9321     0.0535
 69   0     0.9235     1.0000     0.0765     0.9850     0.9321     0.0529
 70   0     0.9026     1.0000     0.0974     0.9871     0.9374     0.0497
 71   0     0.9270     1.0000     0.0730     0.9919     0.9413     0.0506
 72   0     0.9071     1.0000     0.0929     0.9847     0.9339     0.0508
 73   0     0.9090     1.0000     0.0910     0.9803     0.9296     0.0507
 74   0     0.9191     1.0000     0.0809     0.9896     0.9387     0.0509
 75   0     6.1614     6.0000    -0.1614     4.0070     3.6867     0.3203
 76   0     6.1829     6.0000    -0.1829     4.0073     3.6842     0.3231
 77   0     6.1297     6.0000    -0.1297     3.9630     3.6365     0.3265
 78   0     6.2366     6.0000    -0.2366     3.9952     3.6651     0.3301
 79   0     6.1637     6.0000    -0.1637     4.0038     3.6819     0.3219
 80   0     0.9167     1.0000     0.0833     0.9840     0.9297     0.0543
 81   0     0.9077     1.0000     0.0923     0.9846     0.9336     0.0510
 82   0     0.9151     1.0000     0.0849     0.9850     0.9324     0.0526
 83   0     0.9102     1.0000     0.0898     0.9817     0.9296     0.0521
 84   0     0.9081     1.0000     0.0919     0.9836     0.9301     0.0535
 85   0     0.9322     1.0000     0.0678     1.0071     0.9547     0.0524
 86   0     0.9030     1.0000     0.0970     0.9801     0.9260     0.0541
 87   0     0.9140     1.0000     0.0860     0.9796     0.9253     0.0543
 88   0     0.9112     1.0000     0.0888     0.9853     0.9315     0.0538
 89   0     0.9059     1.0000     0.0941     0.9816     0.9300     0.0516
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.905734
                0             6               4            6                0.916018
                0             6               5            1                0.951363
                0             6               6            1                0.949204
                1             6               2            6                0.907265
                1             6               7            1                0.943818
                1             6               8            1                0.942416
                2             6               3            6                0.913853
                2             6               9            1                0.958112
                2             6              10            1                0.946675
                3             6               4            6                0.915062
                3             6              11            1                0.957252
                3             6              12            1                0.950138
                4             6              13            1                0.945400
                4             6              14            1                0.946019
               15             6              16            6                0.894819
               15             6              19            6                0.900472
               15             6              20            1                0.946940
               15             6              21            1                0.954787
               16             6              17            6                0.901972
               16             6              22            1                0.943138
               16             6              23            1                0.952895
               17             6              18            6                0.898377
               17             6              24            1                0.941846
               17             6              25            1                0.952403
               18             6              19            6                0.891357
               18             6              26            1                0.950889
               18             6              27            1                0.953030
               19             6              28            1                0.947981
               19             6              29            1                0.953189
               30             6              31            6                0.894166
               30             6              34            6                0.905934
               30             6              35            1                0.957512
               30             6              36            1                0.945567
               31             6              32            6                0.898813
               31             6              37            1                0.952854
               31             6              38            1                0.954920
               32             6              33            6                0.904207
               32             6              39            1                0.940564
               32             6              40            1                0.954636
               33             6              34            6                0.906220
               33             6              41            1                0.951877
               33             6              42            1                0.952607
               34             6              43            1                0.954438
               34             6              44            1                0.946076
               45             6              46            6                0.905500
               45             6              49            6                0.911893
               45             6              50            1                0.947360
               45             6              51            1                0.952042
               46             6              47            6                0.905106
               46             6              52            1                0.949076
               46             6              53            1                0.957751
               47             6              48            6                0.906112
               47             6              54            1                0.947969
               47             6              55            1                0.949200
               48             6              49            6                0.896674
               48             6              56            1                0.960903
               48             6              57            1                0.953456
               49             6              58            1                0.956304
               49             6              59            1                0.942907
               60             6              61            6                0.917049
               60             6              64            6                0.905113
               60             6              65            1                0.954659
               60             6              66            1                0.951914
               61             6              62            6                0.906061
               61             6              67            1                0.953866
               61             6              68            1                0.943628
               62             6              63            6                0.898135
               62             6              69            1                0.959672
               62             6              70            1                0.947108
               63             6              64            6                0.901274
               63             6              71            1                0.954249
               63             6              72            1                0.945392
               64             6              73            1                0.946902
               64             6              74            1                0.963022
               75             6              76            6                0.908246
               75             6              79            6                0.912470
               75             6              80            1                0.953384
               75             6              81            1                0.948533
               76             6              77            6                0.899997
               76             6              82            1                0.952577
               76             6              83            1                0.953816
               77             6              78            6                0.890025
               77             6              84            1                0.939894
               77             6              85            1                0.954546
               78             6              79            6                0.903942
               78             6              86            1                0.946470
               78             6              87            1                0.952960
               79             6              88            1                0.948909
               79             6              89            1                0.954807
# -----------------------------------------------------------
$ 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     6.2522     6.0000    -0.2522     3.9972     3.6755     0.3217
  1   0     6.2418     6.0000    -0.2418     3.9895     3.6622     0.3273
  2   0     6.1915     6.0000    -0.1915     3.9892     3.6775     0.3117
  3   0     6.2309     6.0000    -0.2309     3.9966     3.6872     0.3094
  4   0     6.1796     6.0000    -0.1796     3.9762     3.6622     0.3140
  5   0     0.8859     1.0000     0.1141     0.9751     0.9248     0.0503
  6   0     0.8811     1.0000     0.1189     0.9814     0.9301     0.0513
  7   0     0.8824     1.0000     0.1176     0.9728     0.9178     0.0550
  8   0     0.8858     1.0000     0.1142     0.9777     0.9233     0.0544
  9   0     0.8938     1.0000     0.1062     0.9923     0.9435     0.0488
 10   0     0.8901     1.0000     0.1099     0.9750     0.9233     0.0517
 11   0     0.8978     1.0000     0.1022     0.9752     0.9244     0.0508
 12   0     0.8901     1.0000     0.1099     0.9756     0.9246     0.0510
 13   0     0.8995     1.0000     0.1005     0.9819     0.9288     0.0531
 14   0     0.8975     1.0000     0.1025     0.9910     0.9403     0.0507
 15   0     6.2352     6.0000    -0.2352     3.9788     3.6561     0.3227
 16   0     6.2281     6.0000    -0.2281     3.9686     3.6422     0.3264
 17   0     6.2176     6.0000    -0.2176     3.9750     3.6588     0.3162
 18   0     6.2387     6.0000    -0.2387     3.9570     3.6282     0.3288
 19   0     6.2051     6.0000    -0.2051     3.9519     3.6337     0.3182
 20   0     0.8818     1.0000     0.1182     0.9774     0.9259     0.0515
 21   0     0.8875     1.0000     0.1125     0.9792     0.9289     0.0503
 22   0     0.8800     1.0000     0.1200     0.9765     0.9245     0.0520
 23   0     0.8938     1.0000     0.1062     0.9792     0.9244     0.0548
 24   0     0.8816     1.0000     0.1184     0.9794     0.9288     0.0506
 25   0     0.8899     1.0000     0.1101     0.9838     0.9343     0.0495
 26   0     0.8873     1.0000     0.1127     0.9782     0.9271     0.0511
 27   0     0.8937     1.0000     0.1063     0.9784     0.9255     0.0529
 28   0     0.8919     1.0000     0.1081     0.9798     0.9273     0.0525
 29   0     0.8879     1.0000     0.1121     0.9848     0.9378     0.0470
 30   0     6.2379     6.0000    -0.2379     3.9965     3.6772     0.3193
 31   0     6.2008     6.0000    -0.2008     3.9432     3.6265     0.3167
 32   0     6.2410     6.0000    -0.2410     3.9819     3.6615     0.3204
 33   0     6.2277     6.0000    -0.2277     3.9823     3.6674     0.3149
 34   0     6.2031     6.0000    -0.2031     3.9697     3.6544     0.3153
 35   0     0.8884     1.0000     0.1116     0.9837     0.9350     0.0487
 36   0     0.8806     1.0000     0.1194     0.9759     0.9242     0.0517
 37   0     0.8940     1.0000     0.1060     0.9768     0.9245     0.0523
 38   0     0.8954     1.0000     0.1046     0.9753     0.9214     0.0539
 39   0     0.8878     1.0000     0.1122     0.9775     0.9248     0.0527
 40   0     0.8865     1.0000     0.1135     0.9807     0.9320     0.0487
 41   0     0.8925     1.0000     0.1075     0.9755     0.9240     0.0515
 42   0     0.8852     1.0000     0.1148     0.9809     0.9313     0.0496
 43   0     0.8951     1.0000     0.1049     0.9779     0.9264     0.0515
 44   0     0.8836     1.0000     0.1164     0.9757     0.9246     0.0511
 45   0     6.2336     6.0000    -0.2336     3.9923     3.6749     0.3174
 46   0     6.1942     6.0000    -0.1942     3.9662     3.6559     0.3103
 47   0     6.2410     6.0000    -0.2410     4.0028     3.6827     0.3201
 48   0     6.2009     6.0000    -0.2009     3.9741     3.6612     0.3129
 49   0     6.2244     6.0000    -0.2244     3.9690     3.6525     0.3165
 50   0     0.8935     1.0000     0.1065     0.9764     0.9230     0.0534
 51   0     0.8813     1.0000     0.1187     0.9771     0.9276     0.0495
 52   0     0.9047     1.0000     0.0953     0.9864     0.9344     0.0520
 53   0     0.8899     1.0000     0.1101     0.9772     0.9287     0.0485
 54   0     0.8874     1.0000     0.1126     0.9820     0.9317     0.0503
 55   0     0.8833     1.0000     0.1167     0.9806     0.9299     0.0507
 56   0     0.8903     1.0000     0.1097     0.9832     0.9330     0.0502
 57   0     0.8910     1.0000     0.1090     0.9793     0.9294     0.0499
 58   0     0.9021     1.0000     0.0979     0.9765     0.9219     0.0546
 59   0     0.8848     1.0000     0.1152     0.9736     0.9210     0.0526
 60   0     6.1694     6.0000    -0.1694     3.9801     3.6723     0.3078
 61   0     6.2361     6.0000    -0.2361     3.9925     3.6734     0.3191
 62   0     6.2167     6.0000    -0.2167     3.9615     3.6432     0.3183
 63   0     6.2463     6.0000    -0.2463     3.9808     3.6609     0.3199
 64   0     6.2345     6.0000    -0.2345     3.9835     3.6684     0.3151
 65   0     0.8918     1.0000     0.1082     0.9822     0.9342     0.0480
 66   0     0.8955     1.0000     0.1045     0.9819     0.9313     0.0506
 67   0     0.8927     1.0000     0.1073     0.9764     0.9251     0.0513
 68   0     0.8894     1.0000     0.1106     0.9788     0.9263     0.0525
 69   0     0.8950     1.0000     0.1050     0.9756     0.9238     0.0518
 70   0     0.8781     1.0000     0.1219     0.9800     0.9313     0.0487
 71   0     0.8987     1.0000     0.1013     0.9844     0.9349     0.0495
 72   0     0.8822     1.0000     0.1178     0.9777     0.9280     0.0497
 73   0     0.8850     1.0000     0.1150     0.9759     0.9263     0.0496
 74   0     0.8883     1.0000     0.1117     0.9787     0.9290     0.0497
 75   0     6.2100     6.0000    -0.2100     3.9909     3.6747     0.3162
 76   0     6.2367     6.0000    -0.2367     3.9904     3.6713     0.3191
 77   0     6.1885     6.0000    -0.1885     3.9580     3.6358     0.3222
 78   0     6.2783     6.0000    -0.2783     3.9853     3.6599     0.3254
 79   0     6.2174     6.0000    -0.2174     3.9918     3.6740     0.3178
 80   0     0.8914     1.0000     0.1086     0.9757     0.9224     0.0533
 81   0     0.8844     1.0000     0.1156     0.9768     0.9268     0.0500
 82   0     0.8883     1.0000     0.1117     0.9756     0.9241     0.0515
 83   0     0.8841     1.0000     0.1159     0.9737     0.9228     0.0509
 84   0     0.8855     1.0000     0.1145     0.9773     0.9249     0.0524
 85   0     0.9038     1.0000     0.0962     0.9951     0.9439     0.0512
 86   0     0.8785     1.0000     0.1215     0.9716     0.9186     0.0530
 87   0     0.8847     1.0000     0.1153     0.9710     0.9180     0.0530
 88   0     0.8859     1.0000     0.1141     0.9754     0.9226     0.0528
 89   0     0.8809     1.0000     0.1191     0.9731     0.9225     0.0506
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.918202
                0             6               4            6                0.919009
                0             6               5            1                0.938655
                0             6               6            1                0.934852
                1             6               2            6                0.920388
                1             6               7            1                0.926963
                1             6               8            1                0.926189
                2             6               3            6                0.917666
                2             6               9            1                0.947940
                2             6              10            1                0.928424
                3             6               4            6                0.921020
                3             6              11            1                0.944724
                3             6              12            1                0.936402
                4             6              13            1                0.933796
                4             6              14            1                0.933903
               15             6              16            6                0.903538
               15             6              19            6                0.905305
               15             6              20            1                0.936527
               15             6              21            1                0.941107
               16             6              17            6                0.912339
               16             6              22            1                0.930833
               16             6              23            1                0.939642
               17             6              18            6                0.902665
               17             6              24            1                0.930471
               17             6              25            1                0.942649
               18             6              19            6                0.894093
               18             6              26            1                0.939594
               18             6              27            1                0.942106
               19             6              28            1                0.936251
               19             6              29            1                0.945833
               30             6              31            6                0.902696
               30             6              34            6                0.911310
               30             6              35            1                0.944168
               30             6              36            1                0.933771
               31             6              32            6                0.912986
               31             6              37            1                0.939499
               31             6              38            1                0.941474
               32             6              33            6                0.903275
               32             6              39            1                0.928387
               32             6              40            1                0.944593
               33             6              34            6                0.922612
               33             6              41            1                0.938974
               33             6              42            1                0.940065
               34             6              43            1                0.942177
               34             6              44            1                0.933787
               45             6              46            6                0.913948
               45             6              49            6                0.915578
               45             6              50            1                0.930997
               45             6              51            1                0.941182
               46             6              47            6                0.914893
               46             6              52            1                0.936412
               46             6              53            1                0.946979
               47             6              48            6                0.909334
               47             6              54            1                0.937601
               47             6              55            1                0.936235
               48             6              49            6                0.912609
               48             6              56            1                0.950199
               48             6              57            1                0.939022
               49             6              58            1                0.943880
               49             6              59            1                0.927045
               60             6              61            6                0.917373
               60             6              64            6                0.914682
               60             6              65            1                0.945182
               60             6              66            1                0.939921
               61             6              62            6                0.913358
               61             6              67            1                0.943938
               61             6              68            1                0.929655
               62             6              63            6                0.900857
               62             6              69            1                0.948231
               62             6              70            1                0.936681
               63             6              64            6                0.904015
               63             6              71            1                0.945545
               63             6              72            1                0.935140
               64             6              73            1                0.937233
               64             6              74            1                0.951045
               75             6              76            6                0.916490
               75             6              79            6                0.919125
               75             6              80            1                0.940739
               75             6              81            1                0.936196
               76             6              77            6                0.908029
               76             6              82            1                0.938778
               76             6              83            1                0.942618
               77             6              78            6                0.896189
               77             6              84            1                0.928812
               77             6              85            1                0.943390
               78             6              79            6                0.918702
               78             6              86            1                0.930392
               78             6              87            1                0.940417
               79             6              88            1                0.932791
               79             6              89            1                0.942921
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1892390635
        Correlation Energy:       -5.0564257433
        Total MP2 Energy:      -1176.2456648069
# -----------------------------------------------------------
$ 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) :        0.1359321057
        Electronic Contribution:
                  0    
      0      -0.167214
      1      -0.190921
      2      -0.574698
        Nuclear Contribution:
                  0    
      0       0.136568
      1       0.232968
      2       0.562337
        Total Dipole moment:
                  0    
      0      -0.030647
      1       0.042047
      2      -0.012360
# -----------------------------------------------------------
$ 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) :        0.1351539670
        Electronic Contribution:
                  0    
      0      -0.167211
      1      -0.191061
      2      -0.573829
        Nuclear Contribution:
                  0    
      0       0.136568
      1       0.232968
      2       0.562337
        Total Dipole moment:
                  0    
      0      -0.030643
      1       0.041907
      2      -0.011492
# -----------------------------------------------------------
$ 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) :        0.0972432995
        Electronic Contribution:
                  0    
      0      -0.159088
      1      -0.202970
      2      -0.554815
        Nuclear Contribution:
                  0    
      0       0.136568
      1       0.232968
      2       0.562337
        Total Dipole moment:
                  0    
      0      -0.022521
      1       0.029998
      2       0.007522
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     20.500000000000   17.540000000000   23.810000000000
               1 C     19.590000000000   18.650000000000   23.290000000000
               2 C     19.460000000000   19.640000000000   24.430000000000
               3 C     20.300000000000   19.120000000000   25.580000000000
               4 C     20.640000000000   17.730000000000   25.370000000000
               5 H     21.460000000000   17.620000000000   23.350000000000
               6 H     20.180000000000   16.530000000000   23.480000000000
               7 H     18.560000000000   18.210000000000   22.970000000000
               8 H     20.100000000000   19.140000000000   22.370000000000
               9 H     18.460000000000   19.760000000000   24.720000000000
              10 H     19.740000000000   20.630000000000   24.020000000000
              11 H     19.680000000000   19.170000000000   26.450000000000
              12 H     21.230000000000   19.620000000000   25.870000000000
              13 H     19.870000000000   17.100000000000   25.880000000000
              14 H     21.650000000000   17.680000000000   25.780000000000
              15 C     22.550000000000   22.480000000000   20.040000000000
              16 C     22.400000000000   21.070000000000   20.810000000000
              17 C     23.260000000000   20.970000000000   22.080000000000
              18 C     23.980000000000   22.370000000000   22.120000000000
              19 C     23.540000000000   23.310000000000   20.880000000000
              20 H     21.580000000000   23.020000000000   19.900000000000
              21 H     23.070000000000   22.440000000000   19.100000000000
              22 H     22.520000000000   20.200000000000   20.120000000000
              23 H     21.310000000000   21.110000000000   21.080000000000
              24 H     24.010000000000   20.160000000000   22.090000000000
              25 H     22.630000000000   20.890000000000   22.940000000000
              26 H     25.060000000000   22.220000000000   22.140000000000
              27 H     23.670000000000   22.910000000000   23.040000000000
              28 H     24.490000000000   23.480000000000   20.310000000000
              29 H     23.140000000000   24.140000000000   21.330000000000
              30 C     18.960000000000   12.720000000000   19.290000000000
              31 C     18.380000000000   13.530000000000   20.450000000000
              32 C     19.400000000000   14.240000000000   21.320000000000
              33 C     20.810000000000   13.720000000000   20.780000000000
              34 C     20.500000000000   13.100000000000   19.460000000000
              35 H     18.460000000000   13.120000000000   18.460000000000
              36 H     18.670000000000   11.630000000000   19.330000000000
              37 H     17.760000000000   12.870000000000   21.080000000000
              38 H     17.720000000000   14.360000000000   20.070000000000
              39 H     19.240000000000   13.990000000000   22.410000000000
              40 H     19.360000000000   15.290000000000   21.180000000000
              41 H     21.260000000000   12.950000000000   21.420000000000
              42 H     21.550000000000   14.500000000000   20.740000000000
              43 H     20.970000000000   12.130000000000   19.380000000000
              44 H     20.920000000000   13.730000000000   18.660000000000
              45 C     19.710000000000   18.150000000000   30.260000000000
              46 C     18.600000000000   17.320000000000   29.590000000000
              47 C     18.990000000000   15.850000000000   29.460000000000
              48 C     20.240000000000   15.760000000000   30.460000000000
              49 C     20.660000000000   17.110000000000   30.880000000000
              50 H     19.220000000000   18.800000000000   31.040000000000
              51 H     20.210000000000   18.850000000000   29.610000000000
              52 H     18.370000000000   17.790000000000   28.650000000000
              53 H     17.730000000000   17.310000000000   30.180000000000
              54 H     19.350000000000   15.570000000000   28.480000000000
              55 H     18.120000000000   15.230000000000   29.760000000000
              56 H     21.130000000000   15.370000000000   30.010000000000
              57 H     20.020000000000   15.180000000000   31.340000000000
              58 H     21.680000000000   17.280000000000   30.430000000000
              59 H     20.800000000000   17.210000000000   32.000000000000
              60 C     25.540000000000   15.140000000000   26.070000000000
              61 C     25.810000000000   14.130000000000   27.200000000000
              62 C     24.520000000000   14.090000000000   28.060000000000
              63 C     23.420000000000   15.100000000000   27.500000000000
              64 C     24.160000000000   15.760000000000   26.290000000000
              65 H     25.560000000000   14.630000000000   25.150000000000
              66 H     26.320000000000   15.890000000000   26.170000000000
              67 H     26.640000000000   14.530000000000   27.800000000000
              68 H     26.120000000000   13.150000000000   26.740000000000
              69 H     24.800000000000   14.520000000000   29.010000000000
              70 H     24.200000000000   13.110000000000   28.310000000000
              71 H     23.200000000000   15.820000000000   28.240000000000
              72 H     22.510000000000   14.560000000000   27.270000000000
              73 H     24.100000000000   16.830000000000   26.350000000000
              74 H     23.550000000000   15.490000000000   25.470000000000
              75 C     14.130000000000   16.790000000000   25.010000000000
              76 C     15.110000000000   17.660000000000   24.230000000000
              77 C     16.310000000000   18.120000000000   25.150000000000
              78 C     16.040000000000   17.480000000000   26.560000000000
              79 C     14.750000000000   16.670000000000   26.450000000000
              80 H     14.100000000000   15.790000000000   24.480000000000
              81 H     13.130000000000   17.210000000000   24.960000000000
              82 H     14.600000000000   18.520000000000   23.790000000000
              83 H     15.400000000000   17.110000000000   23.340000000000
              84 H     16.410000000000   19.240000000000   25.250000000000
              85 H     17.230000000000   17.690000000000   24.800000000000
              86 H     16.130000000000   18.270000000000   27.360000000000
              87 H     16.870000000000   16.820000000000   26.890000000000
              88 H     14.040000000000   16.950000000000   27.260000000000
              89 H     14.830000000000   15.610000000000   26.650000000000
