-------------------------------------------------------------
----------------------- !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:    -1171.1980733799
# -----------------------------------------------------------
$ 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     6.1035     6.0000    -0.1035     3.9100     3.9100    -0.0000
  1   0     6.2100     6.0000    -0.2100     3.9242     3.9242     0.0000
  2   0     6.1192     6.0000    -0.1192     3.8431     3.8431    -0.0000
  3   0     6.2094     6.0000    -0.2094     3.8986     3.8986     0.0000
  4   0     6.1726     6.0000    -0.1726     3.9207     3.9207     0.0000
  5   0     0.9212     1.0000     0.0788     0.9792     0.9792    -0.0000
  6   0     0.9188     1.0000     0.0812     0.9725     0.9725    -0.0000
  7   0     0.9362     1.0000     0.0638     0.9734     0.9734     0.0000
  8   0     0.9003     1.0000     0.0997     0.9770     0.9770    -0.0000
  9   0     0.9391     1.0000     0.0609     0.9797     0.9797    -0.0000
 10   0     0.9206     1.0000     0.0794     0.9830     0.9830    -0.0000
 11   0     0.9118     1.0000     0.0882     0.9778     0.9778     0.0000
 12   0     0.9116     1.0000     0.0884     0.9776     0.9776     0.0000
 13   0     0.9158     1.0000     0.0842     0.9824     0.9824     0.0000
 14   0     0.9107     1.0000     0.0893     0.9735     0.9735     0.0000
 15   0     6.1676     6.0000    -0.1676     3.8990     3.8990    -0.0000
 16   0     6.1697     6.0000    -0.1697     3.9065     3.9065    -0.0000
 17   0     6.1538     6.0000    -0.1538     3.8990     3.8990     0.0000
 18   0     6.1868     6.0000    -0.1868     3.8953     3.8953     0.0000
 19   0     6.1341     6.0000    -0.1341     3.8644     3.8644    -0.0000
 20   0     0.9287     1.0000     0.0713     0.9818     0.9818     0.0000
 21   0     0.9189     1.0000     0.0811     0.9755     0.9755    -0.0000
 22   0     0.9171     1.0000     0.0829     0.9789     0.9789    -0.0000
 23   0     0.9107     1.0000     0.0893     0.9737     0.9737    -0.0000
 24   0     0.9218     1.0000     0.0782     0.9763     0.9763     0.0000
 25   0     0.9083     1.0000     0.0917     0.9806     0.9806     0.0000
 26   0     0.9194     1.0000     0.0806     0.9736     0.9736     0.0000
 27   0     0.9096     1.0000     0.0904     0.9740     0.9740     0.0000
 28   0     0.9156     1.0000     0.0844     0.9776     0.9776    -0.0000
 29   0     0.9370     1.0000     0.0630     0.9863     0.9863    -0.0000
 30   0     6.1860     6.0000    -0.1860     3.8552     3.8552    -0.0000
 31   0     6.1644     6.0000    -0.1644     3.9141     3.9141    -0.0000
 32   0     6.1604     6.0000    -0.1604     3.9134     3.9134     0.0000
 33   0     6.1422     6.0000    -0.1422     3.9189     3.9189     0.0000
 34   0     6.1453     6.0000    -0.1453     3.8938     3.8938    -0.0000
 35   0     0.9416     1.0000     0.0584     0.9884     0.9884    -0.0000
 36   0     0.9311     1.0000     0.0689     0.9779     0.9779    -0.0000
 37   0     0.9178     1.0000     0.0822     0.9784     0.9784    -0.0000
 38   0     0.9149     1.0000     0.0851     0.9698     0.9698    -0.0000
 39   0     0.9054     1.0000     0.0946     0.9713     0.9713     0.0000
 40   0     0.9296     1.0000     0.0704     0.9740     0.9740     0.0000
 41   0     0.9187     1.0000     0.0813     0.9822     0.9822    -0.0000
 42   0     0.9148     1.0000     0.0852     0.9745     0.9745     0.0000
 43   0     0.9064     1.0000     0.0936     0.9765     0.9765     0.0000
 44   0     0.9247     1.0000     0.0753     0.9831     0.9831    -0.0000
 45   0     6.1856     6.0000    -0.1856     3.8976     3.8976    -0.0000
 46   0     6.1325     6.0000    -0.1325     3.8623     3.8623    -0.0000
 47   0     6.1624     6.0000    -0.1624     3.8902     3.8902    -0.0000
 48   0     6.2035     6.0000    -0.2035     3.9046     3.9046     0.0000
 49   0     6.1247     6.0000    -0.1247     3.8838     3.8838     0.0000
 50   0     0.9209     1.0000     0.0791     0.9747     0.9747    -0.0000
 51   0     0.9208     1.0000     0.0792     0.9817     0.9817     0.0000
 52   0     0.9181     1.0000     0.0819     0.9753     0.9753     0.0000
 53   0     0.9288     1.0000     0.0712     0.9855     0.9855    -0.0000
 54   0     0.9072     1.0000     0.0928     0.9743     0.9743     0.0000
 55   0     0.9279     1.0000     0.0721     0.9736     0.9736     0.0000
 56   0     0.8997     1.0000     0.1003     0.9744     0.9744    -0.0000
 57   0     0.9274     1.0000     0.0726     0.9751     0.9751     0.0000
 58   0     0.9147     1.0000     0.0853     0.9788     0.9788     0.0000
 59   0     0.9217     1.0000     0.0783     0.9798     0.9798     0.0000
 60   0     6.1533     6.0000    -0.1533     3.8808     3.8808    -0.0000
 61   0     6.1647     6.0000    -0.1647     3.9069     3.9069    -0.0000
 62   0     6.1491     6.0000    -0.1491     3.8824     3.8824    -0.0000
 63   0     6.1786     6.0000    -0.1786     3.8720     3.8720    -0.0000
 64   0     6.1759     6.0000    -0.1759     3.8790     3.8790    -0.0000
 65   0     0.9236     1.0000     0.0764     0.9773     0.9773    -0.0000
 66   0     0.9094     1.0000     0.0906     0.9728     0.9728    -0.0000
 67   0     0.9201     1.0000     0.0799     0.9749     0.9749    -0.0000
 68   0     0.9171     1.0000     0.0829     0.9738     0.9738    -0.0000
 69   0     0.9157     1.0000     0.0843     0.9752     0.9752    -0.0000
 70   0     0.9234     1.0000     0.0766     0.9752     0.9752    -0.0000
 71   0     0.9237     1.0000     0.0763     0.9732     0.9732     0.0000
 72   0     0.9088     1.0000     0.0912     0.9767     0.9767    -0.0000
 73   0     0.9213     1.0000     0.0787     0.9764     0.9764    -0.0000
 74   0     0.9104     1.0000     0.0896     0.9727     0.9727    -0.0000
 75   0     6.1240     6.0000    -0.1240     3.8946     3.8946    -0.0000
 76   0     6.2014     6.0000    -0.2014     3.9437     3.9437    -0.0000
 77   0     6.1479     6.0000    -0.1479     3.8886     3.8886    -0.0000
 78   0     6.2072     6.0000    -0.2072     3.9010     3.9010    -0.0000
 79   0     6.1281     6.0000    -0.1281     3.8485     3.8485    -0.0000
 80   0     0.9103     1.0000     0.0897     0.9773     0.9773    -0.0000
 81   0     0.9293     1.0000     0.0707     0.9817     0.9817    -0.0000
 82   0     0.9034     1.0000     0.0966     0.9720     0.9720    -0.0000
 83   0     0.9163     1.0000     0.0837     0.9771     0.9771    -0.0000
 84   0     0.9151     1.0000     0.0849     0.9810     0.9810    -0.0000
 85   0     0.9165     1.0000     0.0835     0.9748     0.9748    -0.0000
 86   0     0.9214     1.0000     0.0786     0.9738     0.9738     0.0000
 87   0     0.9108     1.0000     0.0892     0.9770     0.9770     0.0000
 88   0     0.9537     1.0000     0.0463     1.0041     1.0041    -0.0000
 89   0     0.9199     1.0000     0.0801     0.9829     0.9829     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                0.972490
                0             6               4            6                0.988311
                0             6               5            1                0.977427
                0             6               6            1                0.990436
                1             6               2            6                0.963667
                1             6               7            1                1.008160
                1             6               8            1                0.982718
                2             6               3            6                0.950112
                2             6               9            1                1.008180
                2             6              10            1                0.976650
                3             6               4            6                0.969185
                3             6              11            1                0.997994
                3             6              12            1                0.994353
                4             6              13            1                0.992340
                4             6              14            1                0.991437
               15             6              16            6                0.978892
               15             6              19            6                0.962860
               15             6              20            1                0.994329
               15             6              21            1                0.998153
               16             6              17            6                0.970767
               16             6              22            1                0.991177
               16             6              23            1                0.985537
               17             6              18            6                0.976170
               17             6              24            1                0.999129
               17             6              25            1                0.991400
               18             6              19            6                0.961454
               18             6              26            1                0.988625
               18             6              27            1                0.991952
               19             6              28            1                0.990873
               19             6              29            1                0.992339
               30             6              31            6                0.969796
               30             6              34            6                0.951423
               30             6              35            1                0.996737
               30             6              36            1                0.994530
               31             6              32            6                0.983269
               31             6              37            1                0.988770
               31             6              38            1                0.990844
               32             6              33            6                0.974948
               32             6              39            1                0.994113
               32             6              40            1                1.001465
               33             6              34            6                0.987334
               33             6              41            1                0.990408
               33             6              42            1                0.990671
               34             6              43            1                0.986281
               34             6              44            1                0.999567
               45             6              46            6                0.956506
               45             6              49            6                0.976745
               45             6              50            1                0.995818
               45             6              51            1                0.995245
               46             6              47            6                0.960597
               46             6              52            1                0.985427
               46             6              53            1                0.999494
               47             6              48            6                0.967568
               47             6              54            1                0.984307
               47             6              55            1                1.005578
               48             6              49            6                0.971671
               48             6              56            1                0.980735
               48             6              57            1                0.998802
               49             6              58            1                0.986036
               49             6              59            1                0.990394
               60             6              61            6                0.972919
               60             6              64            6                0.965775
               60             6              65            1                0.992125
               60             6              66            1                0.986894
               61             6              62            6                0.977505
               61             6              67            1                0.992123
               61             6              68            1                0.992560
               62             6              63            6                0.958738
               62             6              69            1                0.990070
               62             6              70            1                0.992697
               63             6              64            6                0.960098
               63             6              71            1                0.991066
               63             6              72            1                0.993859
               64             6              73            1                0.997437
               64             6              74            1                0.988563
               75             6              76            6                0.993039
               75             6              79            6                0.957839
               75             6              80            1                0.982368
               75             6              81            1                1.000411
               76             6              77            6                0.977293
               76             6              82            1                0.989801
               76             6              83            1                0.988536
               77             6              78            6                0.967281
               77             6              84            1                0.999378
               77             6              85            1                0.993303
               78             6              79            6                0.970684
               78             6              86            1                0.993370
               78             6              87            1                0.991723
               79             6              88            1                0.994605
               79             6              89            1                0.981674
# -----------------------------------------------------------
$ 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     6.1121     6.0000    -0.1121     4.0171     3.7013     0.3158
  1   0     6.2170     6.0000    -0.2170     4.0359     3.7095     0.3264
  2   0     6.1284     6.0000    -0.1284     3.9557     3.6235     0.3322
  3   0     6.2166     6.0000    -0.2166     4.0117     3.6774     0.3343
  4   0     6.1796     6.0000    -0.1796     4.0288     3.7009     0.3279
  5   0     0.9171     1.0000     0.0829     0.9886     0.9381     0.0505
  6   0     0.9147     1.0000     0.0853     0.9821     0.9311     0.0510
  7   0     0.9325     1.0000     0.0675     0.9841     0.9302     0.0539
  8   0     0.8964     1.0000     0.1036     0.9860     0.9359     0.0501
  9   0     0.9350     1.0000     0.0650     0.9896     0.9347     0.0549
 10   0     0.9166     1.0000     0.0834     0.9928     0.9385     0.0543
 11   0     0.9079     1.0000     0.0921     0.9868     0.9336     0.0532
 12   0     0.9078     1.0000     0.0922     0.9868     0.9334     0.0534
 13   0     0.9127     1.0000     0.0873     0.9927     0.9400     0.0527
 14   0     0.9067     1.0000     0.0933     0.9827     0.9281     0.0546
 15   0     6.1755     6.0000    -0.1755     4.0089     3.6827     0.3262
 16   0     6.1776     6.0000    -0.1776     4.0165     3.6893     0.3272
 17   0     6.1607     6.0000    -0.1607     4.0066     3.6875     0.3191
 18   0     6.1952     6.0000    -0.1952     4.0083     3.6773     0.3310
 19   0     6.1410     6.0000    -0.1410     3.9723     3.6538     0.3185
 20   0     0.9249     1.0000     0.0751     0.9917     0.9392     0.0525
 21   0     0.9150     1.0000     0.0850     0.9851     0.9310     0.0541
 22   0     0.9133     1.0000     0.0867     0.9882     0.9360     0.0522
 23   0     0.9070     1.0000     0.0930     0.9831     0.9309     0.0522
 24   0     0.9181     1.0000     0.0819     0.9861     0.9344     0.0517
 25   0     0.9045     1.0000     0.0955     0.9898     0.9414     0.0484
 26   0     0.9155     1.0000     0.0845     0.9830     0.9269     0.0561
 27   0     0.9059     1.0000     0.0941     0.9834     0.9325     0.0509
 28   0     0.9117     1.0000     0.0883     0.9867     0.9335     0.0532
 29   0     0.9332     1.0000     0.0668     0.9966     0.9448     0.0518
 30   0     6.1931     6.0000    -0.1931     3.9680     3.6419     0.3261
 31   0     6.1724     6.0000    -0.1724     4.0229     3.7011     0.3218
 32   0     6.1684     6.0000    -0.1684     4.0208     3.7055     0.3153
 33   0     6.1501     6.0000    -0.1501     4.0257     3.7072     0.3185
 34   0     6.1525     6.0000    -0.1525     4.0020     3.6810     0.3210
 35   0     0.9384     1.0000     0.0616     0.9999     0.9436     0.0563
 36   0     0.9270     1.0000     0.0730     0.9876     0.9358     0.0518
 37   0     0.9140     1.0000     0.0860     0.9878     0.9336     0.0542
 38   0     0.9109     1.0000     0.0891     0.9791     0.9251     0.0540
 39   0     0.9017     1.0000     0.0983     0.9802     0.9299     0.0503
 40   0     0.9258     1.0000     0.0742     0.9838     0.9304     0.0534
 41   0     0.9150     1.0000     0.0850     0.9917     0.9409     0.0508
 42   0     0.9108     1.0000     0.0892     0.9836     0.9332     0.0504
 43   0     0.9026     1.0000     0.0974     0.9857     0.9342     0.0515
 44   0     0.9209     1.0000     0.0791     0.9927     0.9435     0.0492
 45   0     6.1933     6.0000    -0.1933     4.0080     3.6877     0.3203
 46   0     6.1406     6.0000    -0.1406     3.9702     3.6596     0.3106
 47   0     6.1704     6.0000    -0.1704     4.0011     3.6752     0.3259
 48   0     6.2113     6.0000    -0.2113     4.0164     3.6890     0.3274
 49   0     6.1323     6.0000    -0.1323     3.9900     3.6734     0.3166
 50   0     0.9171     1.0000     0.0829     0.9845     0.9321     0.0524
 51   0     0.9168     1.0000     0.0832     0.9912     0.9422     0.0490
 52   0     0.9143     1.0000     0.0857     0.9848     0.9355     0.0493
 53   0     0.9247     1.0000     0.0753     0.9947     0.9452     0.0495
 54   0     0.9032     1.0000     0.0968     0.9835     0.9308     0.0527
 55   0     0.9239     1.0000     0.0761     0.9835     0.9282     0.0553
 56   0     0.8961     1.0000     0.1039     0.9834     0.9315     0.0519
 57   0     0.9235     1.0000     0.0765     0.9848     0.9321     0.0527
 58   0     0.9110     1.0000     0.0890     0.9882     0.9377     0.0505
 59   0     0.9177     1.0000     0.0823     0.9890     0.9391     0.0499
 60   0     6.1608     6.0000    -0.1608     3.9882     3.6674     0.3208
 61   0     6.1721     6.0000    -0.1721     4.0138     3.6979     0.3159
 62   0     6.1573     6.0000    -0.1573     3.9916     3.6717     0.3199
 63   0     6.1855     6.0000    -0.1855     3.9807     3.6631     0.3176
 64   0     6.1834     6.0000    -0.1834     3.9892     3.6666     0.3226
 65   0     0.9198     1.0000     0.0802     0.9870     0.9343     0.0527
 66   0     0.9057     1.0000     0.0943     0.9819     0.9287     0.0532
 67   0     0.9164     1.0000     0.0836     0.9845     0.9309     0.0536
 68   0     0.9132     1.0000     0.0868     0.9831     0.9308     0.0523
 69   0     0.9119     1.0000     0.0881     0.9845     0.9326     0.0519
 70   0     0.9196     1.0000     0.0804     0.9848     0.9310     0.0538
 71   0     0.9198     1.0000     0.0802     0.9828     0.9273     0.0555
 72   0     0.9051     1.0000     0.0949     0.9859     0.9380     0.0479
 73   0     0.9176     1.0000     0.0824     0.9862     0.9345     0.0517
 74   0     0.9067     1.0000     0.0933     0.9821     0.9297     0.0524
 75   0     6.1322     6.0000    -0.1322     4.0034     3.6838     0.3196
 76   0     6.2091     6.0000    -0.2091     4.0527     3.7282     0.3245
 77   0     6.1559     6.0000    -0.1559     3.9967     3.6770     0.3197
 78   0     6.2151     6.0000    -0.2151     4.0136     3.6874     0.3262
 79   0     6.1360     6.0000    -0.1360     3.9599     3.6365     0.3234
 80   0     0.9065     1.0000     0.0935     0.9868     0.9353     0.0515
 81   0     0.9253     1.0000     0.0747     0.9913     0.9400     0.0513
 82   0     0.8996     1.0000     0.1004     0.9807     0.9285     0.0522
 83   0     0.9125     1.0000     0.0875     0.9863     0.9314     0.0549
 84   0     0.9113     1.0000     0.0887     0.9900     0.9401     0.0499
 85   0     0.9127     1.0000     0.0873     0.9841     0.9305     0.0536
 86   0     0.9173     1.0000     0.0827     0.9832     0.9270     0.0562
 87   0     0.9070     1.0000     0.0930     0.9862     0.9332     0.0530
 88   0     0.9492     1.0000     0.0508     1.0137     0.9614     0.0523
 89   0     0.9157     1.0000     0.0843     0.9922     0.9387     0.0535
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.910182
                0             6               4            6                0.926714
                0             6               5            1                0.937887
                0             6               6            1                0.950027
                1             6               2            6                0.896822
                1             6               7            1                0.965774
                1             6               8            1                0.943507
                2             6               3            6                0.887379
                2             6               9            1                0.963654
                2             6              10            1                0.934065
                3             6               4            6                0.900236
                3             6              11            1                0.955064
                3             6              12            1                0.951431
                4             6              13            1                0.951123
                4             6              14            1                0.947269
               15             6              16            6                0.911703
               15             6              19            6                0.901560
               15             6              20            1                0.952948
               15             6              21            1                0.954684
               16             6              17            6                0.907487
               16             6              22            1                0.949654
               16             6              23            1                0.944176
               17             6              18            6                0.909717
               17             6              24            1                0.958196
               17             6              25            1                0.953625
               18             6              19            6                0.898809
               18             6              26            1                0.943324
               18             6              27            1                0.951930
               19             6              28            1                0.947681
               19             6              29            1                0.952023
               30             6              31            6                0.907535
               30             6              34            6                0.887381
               30             6              35            1                0.953239
               30             6              36            1                0.953525
               31             6              32            6                0.923247
               31             6              37            1                0.945429
               31             6              38            1                0.947188
               32             6              33            6                0.912813
               32             6              39            1                0.954041
               32             6              40            1                0.958801
               33             6              34            6                0.921202
               33             6              41            1                0.950491
               33             6              42            1                0.950633
               34             6              43            1                0.945547
               34             6              44            1                0.960914
               45             6              46            6                0.894729
               45             6              49            6                0.911686
               45             6              50            1                0.954363
               45             6              51            1                0.956860
               46             6              47            6                0.900845
               46             6              52            1                0.947031
               46             6              53            1                0.960494
               47             6              48            6                0.902317
               47             6              54            1                0.942483
               47             6              55            1                0.961042
               48             6              49            6                0.908456
               48             6              56            1                0.939600
               48             6              57            1                0.956721
               49             6              58            1                0.946388
               49             6              59            1                0.950968
               60             6              61            6                0.912630
               60             6              64            6                0.900378
               60             6              65            1                0.950357
               60             6              66            1                0.944242
               61             6              62            6                0.916505
               61             6              67            1                0.949427
               61             6              68            1                0.950793
               62             6              63            6                0.896520
               62             6              69            1                0.948906
               62             6              70            1                0.949852
               63             6              64            6                0.898920
               63             6              71            1                0.946417
               63             6              72            1                0.956252
               64             6              73            1                0.956528
               64             6              74            1                0.946918
               75             6              76            6                0.930801
               75             6              79            6                0.893422
               75             6              80            1                0.941951
               75             6              81            1                0.959728
               76             6              77            6                0.914194
               76             6              82            1                0.947967
               76             6              83            1                0.944295
               77             6              78            6                0.904275
               77             6              84            1                0.959759
               77             6              85            1                0.950281
               78             6              79            6                0.910849
               78             6              86            1                0.947990
               78             6              87            1                0.949592
               79             6              88            1                0.953321
               79             6              89            1                0.938971
# -----------------------------------------------------------
$ 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     6.1779     6.0000    -0.1779     4.0150     3.7033     0.3117
  1   0     6.2531     6.0000    -0.2531     4.0003     3.6785     0.3218
  2   0     6.1999     6.0000    -0.1999     3.9427     3.6145     0.3282
  3   0     6.2517     6.0000    -0.2517     3.9892     3.6596     0.3296
  4   0     6.2213     6.0000    -0.2213     4.0125     3.6893     0.3232
  5   0     0.8962     1.0000     0.1038     0.9811     0.9315     0.0496
  6   0     0.8824     1.0000     0.1176     0.9759     0.9264     0.0495
  7   0     0.9038     1.0000     0.0962     0.9784     0.9259     0.0525
  8   0     0.8753     1.0000     0.1247     0.9781     0.9291     0.0490
  9   0     0.9018     1.0000     0.0982     0.9785     0.9250     0.0535
 10   0     0.8870     1.0000     0.1130     0.9869     0.9340     0.0529
 11   0     0.8871     1.0000     0.1129     0.9833     0.9312     0.0521
 12   0     0.8861     1.0000     0.1139     0.9775     0.9251     0.0524
 13   0     0.8897     1.0000     0.1103     0.9886     0.9371     0.0515
 14   0     0.8840     1.0000     0.1160     0.9743     0.9208     0.0535
 15   0     6.2286     6.0000    -0.2286     3.9914     3.6696     0.3218
 16   0     6.2227     6.0000    -0.2227     3.9966     3.6734     0.3232
 17   0     6.2151     6.0000    -0.2151     3.9896     3.6742     0.3154
 18   0     6.2354     6.0000    -0.2354     3.9901     3.6635     0.3266
 19   0     6.2022     6.0000    -0.2022     3.9703     3.6561     0.3142
 20   0     0.8934     1.0000     0.1066     0.9843     0.9332     0.0511
 21   0     0.8901     1.0000     0.1099     0.9772     0.9243     0.0529
 22   0     0.8887     1.0000     0.1113     0.9791     0.9280     0.0511
 23   0     0.8852     1.0000     0.1148     0.9769     0.9256     0.0513
 24   0     0.8929     1.0000     0.1071     0.9758     0.9251     0.0507
 25   0     0.8804     1.0000     0.1196     0.9805     0.9331     0.0474
 26   0     0.8910     1.0000     0.1090     0.9743     0.9192     0.0551
 27   0     0.8833     1.0000     0.1167     0.9769     0.9270     0.0499
 28   0     0.8855     1.0000     0.1145     0.9779     0.9258     0.0521
 29   0     0.9049     1.0000     0.0951     0.9894     0.9390     0.0504
 30   0     6.2500     6.0000    -0.2500     3.9618     3.6402     0.3216
 31   0     6.2175     6.0000    -0.2175     4.0122     3.6949     0.3173
 32   0     6.2229     6.0000    -0.2229     4.0104     3.6992     0.3112
 33   0     6.1994     6.0000    -0.1994     4.0062     3.6915     0.3147
 34   0     6.2013     6.0000    -0.2013     3.9871     3.6700     0.3171
 35   0     0.9057     1.0000     0.0943     0.9911     0.9363     0.0548
 36   0     0.8974     1.0000     0.1026     0.9766     0.9261     0.0505
 37   0     0.8894     1.0000     0.1106     0.9797     0.9266     0.0531
 38   0     0.8896     1.0000     0.1104     0.9726     0.9195     0.0531
 39   0     0.8787     1.0000     0.1213     0.9731     0.9238     0.0493
 40   0     0.8971     1.0000     0.1029     0.9732     0.9210     0.0522
 41   0     0.8924     1.0000     0.1076     0.9832     0.9333     0.0499
 42   0     0.8881     1.0000     0.1119     0.9764     0.9270     0.0494
 43   0     0.8800     1.0000     0.1200     0.9783     0.9278     0.0505
 44   0     0.8940     1.0000     0.1060     0.9831     0.9349     0.0482
 45   0     6.2415     6.0000    -0.2415     3.9765     3.6601     0.3164
 46   0     6.2005     6.0000    -0.2005     3.9548     3.6481     0.3067
 47   0     6.2191     6.0000    -0.2191     3.9819     3.6603     0.3216
 48   0     6.2566     6.0000    -0.2566     3.9945     3.6712     0.3233
 49   0     6.1826     6.0000    -0.1826     3.9721     3.6594     0.3127
 50   0     0.8902     1.0000     0.1098     0.9791     0.9279     0.0512
 51   0     0.8904     1.0000     0.1096     0.9828     0.9350     0.0478
 52   0     0.8900     1.0000     0.1100     0.9783     0.9300     0.0483
 53   0     0.8920     1.0000     0.1080     0.9845     0.9364     0.0481
 54   0     0.8831     1.0000     0.1169     0.9765     0.9248     0.0517
 55   0     0.8952     1.0000     0.1048     0.9799     0.9260     0.0539
 56   0     0.8746     1.0000     0.1254     0.9766     0.9257     0.0509
 57   0     0.8964     1.0000     0.1036     0.9759     0.9243     0.0516
 58   0     0.8892     1.0000     0.1108     0.9817     0.9321     0.0496
 59   0     0.8938     1.0000     0.1062     0.9825     0.9336     0.0489
 60   0     6.2100     6.0000    -0.2100     3.9741     3.6574     0.3167
 61   0     6.2223     6.0000    -0.2223     3.9971     3.6853     0.3118
 62   0     6.2118     6.0000    -0.2118     3.9752     3.6593     0.3159
 63   0     6.2343     6.0000    -0.2343     3.9709     3.6576     0.3133
 64   0     6.2349     6.0000    -0.2349     3.9719     3.6533     0.3186
 65   0     0.8944     1.0000     0.1056     0.9785     0.9268     0.0517
 66   0     0.8835     1.0000     0.1165     0.9757     0.9234     0.0523
 67   0     0.8909     1.0000     0.1091     0.9765     0.9239     0.0526
 68   0     0.8872     1.0000     0.1128     0.9748     0.9236     0.0512
 69   0     0.8866     1.0000     0.1134     0.9761     0.9253     0.0508
 70   0     0.8934     1.0000     0.1066     0.9771     0.9244     0.0527
 71   0     0.8939     1.0000     0.1061     0.9745     0.9200     0.0545
 72   0     0.8806     1.0000     0.1194     0.9789     0.9320     0.0469
 73   0     0.8903     1.0000     0.1097     0.9759     0.9253     0.0506
 74   0     0.8823     1.0000     0.1177     0.9752     0.9238     0.0514
 75   0     6.2007     6.0000    -0.2007     3.9954     3.6794     0.3160
 76   0     6.2409     6.0000    -0.2409     4.0286     3.7088     0.3198
 77   0     6.2098     6.0000    -0.2098     3.9904     3.6747     0.3157
 78   0     6.2432     6.0000    -0.2432     3.9880     3.6669     0.3211
 79   0     6.2055     6.0000    -0.2055     3.9683     3.6495     0.3188
 80   0     0.8825     1.0000     0.1175     0.9823     0.9319     0.0504
 81   0     0.8946     1.0000     0.1054     0.9797     0.9297     0.0500
 82   0     0.8806     1.0000     0.1194     0.9752     0.9239     0.0513
 83   0     0.8897     1.0000     0.1103     0.9778     0.9239     0.0539
 84   0     0.8874     1.0000     0.1126     0.9810     0.9321     0.0489
 85   0     0.8885     1.0000     0.1115     0.9758     0.9233     0.0525
 86   0     0.8919     1.0000     0.1081     0.9758     0.9209     0.0549
 87   0     0.8870     1.0000     0.1130     0.9815     0.9296     0.0519
 88   0     0.9194     1.0000     0.0806     1.0013     0.9503     0.0510
 89   0     0.8868     1.0000     0.1132     0.9831     0.9310     0.0521
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.917798
                0             6               4            6                0.940454
                0             6               5            1                0.924372
                0             6               6            1                0.937014
                1             6               2            6                0.897999
                1             6               7            1                0.952340
                1             6               8            1                0.929802
                2             6               3            6                0.900643
                2             6               9            1                0.950834
                2             6              10            1                0.917283
                3             6               4            6                0.905375
                3             6              11            1                0.941074
                3             6              12            1                0.934658
                4             6              13            1                0.940436
                4             6              14            1                0.930987
               15             6              16            6                0.915689
               15             6              19            6                0.913010
               15             6              20            1                0.941599
               15             6              21            1                0.940264
               16             6              17            6                0.915914
               16             6              22            1                0.937252
               16             6              23            1                0.931813
               17             6              18            6                0.915692
               17             6              24            1                0.943419
               17             6              25            1                0.942230
               18             6              19            6                0.910582
               18             6              26            1                0.928257
               18             6              27            1                0.939492
               19             6              28            1                0.933232
               19             6              29            1                0.941893
               30             6              31            6                0.920807
               30             6              34            6                0.896421
               30             6              35            1                0.937175
               30             6              36            1                0.940667
               31             6              32            6                0.936602
               31             6              37            1                0.930193
               31             6              38            1                0.932586
               32             6              33            6                0.920283
               32             6              39            1                0.939729
               32             6              40            1                0.943899
               33             6              34            6                0.927214
               33             6              41            1                0.937343
               33             6              42            1                0.939013
               34             6              43            1                0.932153
               34             6              44            1                0.951053
               45             6              46            6                0.897208
               45             6              49            6                0.916335
               45             6              50            1                0.942765
               45             6              51            1                0.946292
               46             6              47            6                0.910545
               46             6              52            1                0.935129
               46             6              53            1                0.949508
               47             6              48            6                0.908738
               47             6              54            1                0.926352
               47             6              55            1                0.950353
               48             6              49            6                0.914089
               48             6              56            1                0.926554
               48             6              57            1                0.945327
               49             6              58            1                0.935151
               49             6              59            1                0.941292
               60             6              61            6                0.922575
               60             6              64            6                0.907038
               60             6              65            1                0.938227
               60             6              66            1                0.932590
               61             6              62            6                0.925299
               61             6              67            1                0.935806
               61             6              68            1                0.937994
               62             6              63            6                0.903859
               62             6              69            1                0.936021
               62             6              70            1                0.937073
               63             6              64            6                0.906545
               63             6              71            1                0.932416
               63             6              72            1                0.947278
               64             6              73            1                0.944468
               64             6              74            1                0.935215
               75             6              76            6                0.943141
               75             6              79            6                0.903801
               75             6              80            1                0.928535
               75             6              81            1                0.946097
               76             6              77            6                0.924073
               76             6              82            1                0.932909
               76             6              83            1                0.927512
               77             6              78            6                0.918683
               77             6              84            1                0.945217
               77             6              85            1                0.934749
               78             6              79            6                0.924010
               78             6              86            1                0.930843
               78             6              87            1                0.932959
               79             6              88            1                0.939935
               79             6              89            1                0.925127
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1980733799
        Correlation Energy:       -5.0636604675
        Total MP2 Energy:      -1176.2617338474
# -----------------------------------------------------------
$ 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) :        0.1268979711
        Electronic Contribution:
                  0    
      0      -0.051865
      1      -0.541894
      2       1.103189
        Nuclear Contribution:
                  0    
      0       0.080334
      1       0.578404
      2      -1.084508
        Total Dipole moment:
                  0    
      0       0.028469
      1       0.036510
      2       0.018681
# -----------------------------------------------------------
$ 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) :        0.1247456351
        Electronic Contribution:
                  0    
      0      -0.052567
      1      -0.541572
      2       1.101273
        Nuclear Contribution:
                  0    
      0       0.080334
      1       0.578404
      2      -1.084508
        Total Dipole moment:
                  0    
      0       0.027767
      1       0.036832
      2       0.016765
# -----------------------------------------------------------
$ 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) :        0.1324792457
        Electronic Contribution:
                  0    
      0      -0.060058
      1      -0.534535
      2       1.064990
        Nuclear Contribution:
                  0    
      0       0.080334
      1       0.578404
      2      -1.084508
        Total Dipole moment:
                  0    
      0       0.020276
      1       0.043869
      2      -0.019517
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     18.700000000000   11.640000000000   20.870000000000
               1 C     17.950000000000   12.940000000000   20.570000000000
               2 C     17.350000000000   12.870000000000   19.100000000000
               3 C     18.270000000000   11.930000000000   18.350000000000
               4 C     19.130000000000   11.150000000000   19.510000000000
               5 H     17.990000000000   10.920000000000   21.250000000000
               6 H     19.530000000000   11.890000000000   21.510000000000
               7 H     18.680000000000   13.700000000000   20.440000000000
               8 H     17.260000000000   13.380000000000   21.270000000000
               9 H     17.600000000000   13.850000000000   18.670000000000
              10 H     16.220000000000   12.750000000000   19.010000000000
              11 H     18.770000000000   12.570000000000   17.600000000000
              12 H     17.570000000000   11.260000000000   17.810000000000
              13 H     20.170000000000   11.290000000000   19.300000000000
              14 H     18.890000000000   10.040000000000   19.400000000000
              15 C     21.780000000000   16.450000000000   18.160000000000
              16 C     21.560000000000   17.970000000000   18.570000000000
              17 C     20.140000000000   18.280000000000   17.980000000000
              18 C     19.370000000000   16.900000000000   17.790000000000
              19 C     20.460000000000   15.800000000000   17.780000000000
              20 H     22.300000000000   16.020000000000   19.000000000000
              21 H     22.460000000000   16.430000000000   17.270000000000
              22 H     22.360000000000   18.540000000000   18.080000000000
              23 H     21.660000000000   18.090000000000   19.670000000000
              24 H     20.260000000000   18.680000000000   16.990000000000
              25 H     19.530000000000   18.970000000000   18.460000000000
              26 H     18.790000000000   16.980000000000   16.790000000000
              27 H     18.630000000000   16.760000000000   18.560000000000
              28 H     20.660000000000   15.350000000000   16.780000000000
              29 H     20.150000000000   15.050000000000   18.460000000000
              30 C     21.940000000000   12.740000000000   16.360000000000
              31 C     22.720000000000   13.630000000000   15.370000000000
              32 C     23.520000000000   12.750000000000   14.470000000000
              33 C     23.030000000000   11.310000000000   14.630000000000
              34 C     21.830000000000   11.340000000000   15.690000000000
              35 H     20.930000000000   13.020000000000   16.690000000000
              36 H     22.420000000000   12.730000000000   17.310000000000
              37 H     23.420000000000   14.300000000000   15.940000000000
              38 H     22.030000000000   14.260000000000   14.730000000000
              39 H     24.600000000000   12.800000000000   14.470000000000
              40 H     23.300000000000   13.080000000000   13.450000000000
              41 H     23.870000000000   10.740000000000   14.990000000000
              42 H     22.620000000000   10.900000000000   13.720000000000
              43 H     21.790000000000   10.550000000000   16.450000000000
              44 H     20.890000000000   11.400000000000   15.270000000000
              45 C     19.280000000000   12.240000000000   25.280000000000
              46 C     19.090000000000   13.690000000000   24.830000000000
              47 C     20.350000000000   14.320000000000   25.310000000000
              48 C     21.100000000000   13.450000000000   26.420000000000
              49 C     20.380000000000   12.090000000000   26.390000000000
              50 H     19.550000000000   11.650000000000   24.410000000000
              51 H     18.400000000000   11.860000000000   25.680000000000
              52 H     18.150000000000   14.020000000000   25.190000000000
              53 H     19.080000000000   13.800000000000   23.790000000000
              54 H     20.130000000000   15.380000000000   25.580000000000
              55 H     21.000000000000   14.340000000000   24.400000000000
              56 H     21.250000000000   13.870000000000   27.440000000000
              57 H     22.110000000000   13.280000000000   26.060000000000
              58 H     19.920000000000   11.940000000000   27.360000000000
              59 H     21.050000000000   11.350000000000   26.020000000000
              60 C     11.220000000000   11.790000000000   17.310000000000
              61 C     10.820000000000   13.020000000000   18.080000000000
              62 C     12.040000000000   13.580000000000   18.800000000000
              63 C     13.250000000000   12.660000000000   18.550000000000
              64 C     12.750000000000   11.570000000000   17.590000000000
              65 H     11.210000000000   11.970000000000   16.230000000000
              66 H     10.570000000000   10.900000000000   17.580000000000
              67 H     10.000000000000   12.800000000000   18.810000000000
              68 H     10.360000000000   13.740000000000   17.390000000000
              69 H     11.820000000000   13.730000000000   19.860000000000
              70 H     12.350000000000   14.590000000000   18.440000000000
              71 H     13.600000000000   12.170000000000   19.530000000000
              72 H     14.030000000000   13.240000000000   18.220000000000
              73 H     12.750000000000   10.590000000000   18.010000000000
              74 H     13.410000000000   11.460000000000   16.710000000000
              75 C     23.290000000000   13.690000000000   21.640000000000
              76 C     24.440000000000   12.780000000000   22.030000000000
              77 C     23.940000000000   11.350000000000   21.720000000000
              78 C     22.460000000000   11.500000000000   21.330000000000
              79 C     21.980000000000   12.850000000000   21.730000000000
              80 H     23.390000000000   14.270000000000   20.720000000000
              81 H     23.200000000000   14.390000000000   22.420000000000
              82 H     24.760000000000   12.860000000000   23.100000000000
              83 H     25.310000000000   13.070000000000   21.350000000000
              84 H     24.030000000000   10.680000000000   22.540000000000
              85 H     24.470000000000   10.860000000000   20.860000000000
              86 H     21.880000000000   10.730000000000   21.950000000000
              87 H     22.390000000000   11.260000000000   20.250000000000
              88 H     21.680000000000   12.920000000000   22.760000000000
              89 H     21.180000000000   13.260000000000   21.070000000000
