-------------------------------------------------------------
----------------------- !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:    -1171.1900564742
# -----------------------------------------------------------
$ 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     6.1847     6.0000    -0.1847     3.8806     3.8806     0.0000
  1   0     6.1024     6.0000    -0.1024     3.9278     3.9278     0.0000
  2   0     6.1962     6.0000    -0.1962     3.8945     3.8945    -0.0000
  3   0     6.1929     6.0000    -0.1929     3.8663     3.8663    -0.0000
  4   0     6.2191     6.0000    -0.2191     3.8528     3.8528    -0.0000
  5   0     0.9092     1.0000     0.0908     0.9714     0.9714     0.0000
  6   0     0.9161     1.0000     0.0839     0.9637     0.9637    -0.0000
  7   0     0.8983     1.0000     0.1017     0.9722     0.9722     0.0000
  8   0     0.9099     1.0000     0.0901     0.9704     0.9704     0.0000
  9   0     0.9210     1.0000     0.0790     0.9708     0.9708    -0.0000
 10   0     0.9025     1.0000     0.0975     0.9690     0.9690     0.0000
 11   0     0.9074     1.0000     0.0926     0.9663     0.9663    -0.0000
 12   0     0.9149     1.0000     0.0851     0.9730     0.9730    -0.0000
 13   0     0.9237     1.0000     0.0763     0.9741     0.9741     0.0000
 14   0     0.8874     1.0000     0.1126     0.9625     0.9625     0.0000
 15   0     6.1319     6.0000    -0.1319     3.8816     3.8816    -0.0000
 16   0     6.1901     6.0000    -0.1901     3.9509     3.9509     0.0000
 17   0     6.0773     6.0000    -0.0773     3.8934     3.8934    -0.0000
 18   0     6.1693     6.0000    -0.1693     3.8958     3.8958     0.0000
 19   0     6.2038     6.0000    -0.2038     3.9133     3.9133    -0.0000
 20   0     0.9111     1.0000     0.0889     0.9723     0.9723    -0.0000
 21   0     0.9227     1.0000     0.0773     0.9751     0.9751    -0.0000
 22   0     0.9292     1.0000     0.0708     0.9771     0.9771    -0.0000
 23   0     0.9126     1.0000     0.0874     0.9744     0.9744     0.0000
 24   0     0.9652     1.0000     0.0348     1.0131     1.0131    -0.0000
 25   0     0.9231     1.0000     0.0769     0.9855     0.9855    -0.0000
 26   0     0.9361     1.0000     0.0639     0.9672     0.9672     0.0000
 27   0     0.9162     1.0000     0.0838     0.9743     0.9743     0.0000
 28   0     0.9123     1.0000     0.0877     0.9618     0.9618     0.0000
 29   0     0.9033     1.0000     0.0967     0.9727     0.9727    -0.0000
 30   0     6.1792     6.0000    -0.1792     3.8883     3.8883    -0.0000
 31   0     6.1749     6.0000    -0.1749     3.8633     3.8633    -0.0000
 32   0     6.1623     6.0000    -0.1623     3.8677     3.8677    -0.0000
 33   0     6.1786     6.0000    -0.1786     3.9016     3.9016    -0.0000
 34   0     6.1645     6.0000    -0.1645     3.8703     3.8703    -0.0000
 35   0     0.9089     1.0000     0.0911     0.9762     0.9762    -0.0000
 36   0     0.9088     1.0000     0.0912     0.9686     0.9686    -0.0000
 37   0     0.9003     1.0000     0.0997     0.9750     0.9750    -0.0000
 38   0     0.9242     1.0000     0.0758     0.9708     0.9708    -0.0000
 39   0     0.9147     1.0000     0.0853     0.9734     0.9734    -0.0000
 40   0     0.9354     1.0000     0.0646     0.9909     0.9909    -0.0000
 41   0     0.9087     1.0000     0.0913     0.9720     0.9720    -0.0000
 42   0     0.9188     1.0000     0.0812     0.9768     0.9768    -0.0000
 43   0     0.9108     1.0000     0.0892     0.9715     0.9715    -0.0000
 44   0     0.9048     1.0000     0.0952     0.9698     0.9698    -0.0000
 45   0     6.1420     6.0000    -0.1420     3.8676     3.8676    -0.0000
 46   0     6.1918     6.0000    -0.1918     3.9030     3.9030    -0.0000
 47   0     6.1197     6.0000    -0.1197     3.8995     3.8995    -0.0000
 48   0     6.1699     6.0000    -0.1699     3.8901     3.8901    -0.0000
 49   0     6.1638     6.0000    -0.1638     3.9057     3.9057     0.0000
 50   0     0.9288     1.0000     0.0712     0.9835     0.9835     0.0000
 51   0     0.9406     1.0000     0.0594     0.9988     0.9988    -0.0000
 52   0     0.9226     1.0000     0.0774     0.9762     0.9762    -0.0000
 53   0     0.9139     1.0000     0.0861     0.9703     0.9703    -0.0000
 54   0     0.9105     1.0000     0.0895     0.9755     0.9755     0.0000
 55   0     0.9266     1.0000     0.0734     0.9793     0.9793    -0.0000
 56   0     0.9284     1.0000     0.0716     0.9759     0.9759    -0.0000
 57   0     0.9156     1.0000     0.0844     0.9731     0.9731    -0.0000
 58   0     0.9101     1.0000     0.0899     0.9743     0.9743     0.0000
 59   0     0.9194     1.0000     0.0806     0.9754     0.9754     0.0000
 60   0     6.1473     6.0000    -0.1473     3.8669     3.8669    -0.0000
 61   0     6.2259     6.0000    -0.2259     3.9223     3.9223     0.0000
 62   0     6.1006     6.0000    -0.1006     3.8347     3.8347    -0.0000
 63   0     6.1996     6.0000    -0.1996     3.9209     3.9209    -0.0000
 64   0     6.1653     6.0000    -0.1653     3.8781     3.8781     0.0000
 65   0     0.9237     1.0000     0.0763     0.9759     0.9759    -0.0000
 66   0     0.9174     1.0000     0.0826     0.9750     0.9750    -0.0000
 67   0     0.9139     1.0000     0.0861     0.9740     0.9740    -0.0000
 68   0     0.9027     1.0000     0.0973     0.9700     0.9700    -0.0000
 69   0     0.9277     1.0000     0.0723     0.9815     0.9815    -0.0000
 70   0     0.9285     1.0000     0.0715     0.9870     0.9870    -0.0000
 71   0     0.9130     1.0000     0.0870     0.9738     0.9738     0.0000
 72   0     0.9029     1.0000     0.0971     0.9738     0.9738     0.0000
 73   0     0.9188     1.0000     0.0812     0.9759     0.9759    -0.0000
 74   0     0.9144     1.0000     0.0856     0.9756     0.9756    -0.0000
 75   0     6.1449     6.0000    -0.1449     3.9209     3.9209     0.0000
 76   0     6.1816     6.0000    -0.1816     3.8948     3.8948     0.0000
 77   0     6.1062     6.0000    -0.1062     3.8682     3.8682     0.0000
 78   0     6.1904     6.0000    -0.1904     3.9547     3.9547    -0.0000
 79   0     6.1322     6.0000    -0.1322     3.9212     3.9212    -0.0000
 80   0     0.9217     1.0000     0.0783     0.9842     0.9842     0.0000
 81   0     0.9308     1.0000     0.0692     0.9778     0.9778     0.0000
 82   0     0.9282     1.0000     0.0718     0.9781     0.9781     0.0000
 83   0     0.9292     1.0000     0.0708     0.9751     0.9751     0.0000
 84   0     0.9451     1.0000     0.0549     0.9854     0.9854     0.0000
 85   0     0.9377     1.0000     0.0623     0.9857     0.9857     0.0000
 86   0     0.9143     1.0000     0.0857     0.9763     0.9763    -0.0000
 87   0     0.9130     1.0000     0.0870     0.9808     0.9808    -0.0000
 88   0     0.9136     1.0000     0.0864     0.9818     0.9818    -0.0000
 89   0     0.9208     1.0000     0.0792     0.9762     0.9762     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                0.979578
                0             6               4            6                0.953358
                0             6               5            1                0.999855
                0             6               6            1                0.985294
                1             6               2            6                0.994164
                1             6               7            1                0.979874
                1             6               8            1                0.980752
                2             6               3            6                0.959698
                2             6               9            1                0.991790
                2             6              10            1                0.995346
                3             6               4            6                0.975721
                3             6              11            1                0.985977
                3             6              12            1                0.994024
                4             6              13            1                0.990508
                4             6              14            1                0.977997
               15             6              16            6                0.980710
               15             6              19            6                0.962941
               15             6              20            1                0.987695
               15             6              21            1                1.007508
               16             6              17            6                0.987837
               16             6              22            1                1.002573
               16             6              23            1                0.989852
               17             6              18            6                0.974488
               17             6              24            1                0.993483
               17             6              25            1                0.992660
               18             6              19            6                0.975221
               18             6              26            1                0.990938
               18             6              27            1                0.989537
               19             6              28            1                0.988231
               19             6              29            1                0.985259
               30             6              31            6                0.962960
               30             6              34            6                0.970824
               30             6              35            1                0.991809
               30             6              36            1                0.987250
               31             6              32            6                0.955775
               31             6              37            1                0.985222
               31             6              38            1                1.003711
               32             6              33            6                0.971257
               32             6              39            1                0.988667
               32             6              40            1                0.994679
               33             6              34            6                0.970385
               33             6              41            1                0.990664
               33             6              42            1                0.994975
               34             6              43            1                0.993804
               34             6              44            1                0.984524
               45             6              46            6                0.957681
               45             6              49            6                0.968338
               45             6              50            1                0.998730
               45             6              51            1                0.993974
               46             6              47            6                0.976757
               46             6              52            1                0.992732
               46             6              53            1                0.994264
               47             6              48            6                0.970337
               47             6              54            1                0.992259
               47             6              55            1                0.991242
               48             6              49            6                0.965563
               48             6              56            1                1.002515
               48             6              57            1                0.997130
               49             6              58            1                0.990752
               49             6              59            1                0.998177
               60             6              61            6                0.974431
               60             6              64            6                0.960171
               60             6              65            1                0.996175
               60             6              66            1                0.994661
               61             6              62            6                0.965639
               61             6              67            1                0.994743
               61             6              68            1                0.991155
               62             6              63            6                0.954231
               62             6              69            1                0.985903
               62             6              70            1                0.996517
               63             6              64            6                0.976148
               63             6              71            1                0.992132
               63             6              72            1                0.994664
               64             6              73            1                0.995358
               64             6              74            1                0.995089
               75             6              76            6                0.969398
               75             6              79            6                0.983101
               75             6              80            1                0.991840
               75             6              81            1                0.995917
               76             6              77            6                0.960723
               76             6              82            1                0.999826
               76             6              83            1                0.995499
               77             6              78            6                0.978471
               77             6              84            1                0.995757
               77             6              85            1                0.972642
               78             6              79            6                0.994991
               78             6              86            1                0.990813
               78             6              87            1                0.988260
               79             6              88            1                0.991582
               79             6              89            1                0.985820
# -----------------------------------------------------------
$ 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     6.1927     6.0000    -0.1927     3.9965     3.6623     0.3342
  1   0     6.1102     6.0000    -0.1102     4.0334     3.7136     0.3198
  2   0     6.2046     6.0000    -0.2046     4.0087     3.6810     0.3277
  3   0     6.2014     6.0000    -0.2014     3.9824     3.6430     0.3394
  4   0     6.2270     6.0000    -0.2270     3.9742     3.6225     0.3517
  5   0     0.9048     1.0000     0.0952     0.9803     0.9274     0.0529
  6   0     0.9128     1.0000     0.0872     0.9751     0.9222     0.0529
  7   0     0.8943     1.0000     0.1057     0.9809     0.9320     0.0489
  8   0     0.9059     1.0000     0.0941     0.9795     0.9240     0.0555
  9   0     0.9170     1.0000     0.0830     0.9806     0.9244     0.0562
 10   0     0.8985     1.0000     0.1015     0.9779     0.9263     0.0516
 11   0     0.9035     1.0000     0.0965     0.9757     0.9218     0.0539
 12   0     0.9108     1.0000     0.0892     0.9824     0.9276     0.0548
 13   0     0.9194     1.0000     0.0806     0.9840     0.9290     0.0550
 14   0     0.8832     1.0000     0.1168     0.9707     0.9198     0.0509
 15   0     6.1406     6.0000    -0.1406     3.9917     3.6754     0.3163
 16   0     6.1981     6.0000    -0.1981     4.0585     3.7387     0.3198
 17   0     6.0848     6.0000    -0.0848     3.9983     3.6783     0.3200
 18   0     6.1772     6.0000    -0.1772     4.0084     3.6802     0.3282
 19   0     6.2127     6.0000    -0.2127     4.0293     3.7036     0.3257
 20   0     0.9072     1.0000     0.0928     0.9816     0.9283     0.0533
 21   0     0.9186     1.0000     0.0814     0.9844     0.9338     0.0506
 22   0     0.9253     1.0000     0.0747     0.9868     0.9341     0.0527
 23   0     0.9087     1.0000     0.0913     0.9836     0.9328     0.0508
 24   0     0.9614     1.0000     0.0386     1.0244     0.9677     0.0567
 25   0     0.9189     1.0000     0.0811     0.9947     0.9442     0.0505
 26   0     0.9327     1.0000     0.0673     0.9792     0.9249     0.0543
 27   0     0.9117     1.0000     0.0883     0.9832     0.9309     0.0523
 28   0     0.9079     1.0000     0.0921     0.9709     0.9179     0.0530
 29   0     0.8987     1.0000     0.1013     0.9810     0.9314     0.0496
 30   0     6.1871     6.0000    -0.1871     4.0002     3.6716     0.3286
 31   0     6.1831     6.0000    -0.1831     3.9777     3.6519     0.3258
 32   0     6.1690     6.0000    -0.1690     3.9776     3.6526     0.3250
 33   0     6.1863     6.0000    -0.1863     4.0118     3.6870     0.3248
 34   0     6.1726     6.0000    -0.1726     3.9818     3.6576     0.3242
 35   0     0.9051     1.0000     0.0949     0.9851     0.9329     0.0522
 36   0     0.9050     1.0000     0.0950     0.9779     0.9228     0.0551
 37   0     0.8961     1.0000     0.1039     0.9835     0.9339     0.0496
 38   0     0.9202     1.0000     0.0798     0.9805     0.9261     0.0544
 39   0     0.9107     1.0000     0.0893     0.9829     0.9305     0.0524
 40   0     0.9326     1.0000     0.0674     1.0027     0.9494     0.0533
 41   0     0.9048     1.0000     0.0952     0.9811     0.9290     0.0521
 42   0     0.9150     1.0000     0.0850     0.9863     0.9341     0.0522
 43   0     0.9067     1.0000     0.0933     0.9804     0.9294     0.0510
 44   0     0.9010     1.0000     0.0990     0.9789     0.9243     0.0546
 45   0     6.1488     6.0000    -0.1488     3.9753     3.6534     0.3219
 46   0     6.1992     6.0000    -0.1992     4.0127     3.6958     0.3169
 47   0     6.1285     6.0000    -0.1285     4.0069     3.6912     0.3157
 48   0     6.1769     6.0000    -0.1769     3.9967     3.6840     0.3127
 49   0     6.1718     6.0000    -0.1718     4.0139     3.6959     0.3180
 50   0     0.9249     1.0000     0.0751     0.9931     0.9386     0.0545
 51   0     0.9371     1.0000     0.0629     1.0097     0.9544     0.0553
 52   0     0.9187     1.0000     0.0813     0.9859     0.9342     0.0517
 53   0     0.9097     1.0000     0.0903     0.9794     0.9274     0.0520
 54   0     0.9067     1.0000     0.0933     0.9845     0.9337     0.0508
 55   0     0.9226     1.0000     0.0774     0.9887     0.9367     0.0520
 56   0     0.9247     1.0000     0.0753     0.9861     0.9338     0.0523
 57   0     0.9118     1.0000     0.0882     0.9825     0.9332     0.0493
 58   0     0.9063     1.0000     0.0937     0.9833     0.9323     0.0510
 59   0     0.9156     1.0000     0.0844     0.9848     0.9314     0.0534
 60   0     6.1548     6.0000    -0.1548     3.9745     3.6554     0.3191
 61   0     6.2340     6.0000    -0.2340     4.0359     3.7077     0.3282
 62   0     6.1071     6.0000    -0.1071     3.9416     3.6231     0.3185
 63   0     6.2076     6.0000    -0.2076     4.0330     3.7068     0.3262
 64   0     6.1728     6.0000    -0.1728     3.9876     3.6657     0.3219
 65   0     0.9199     1.0000     0.0801     0.9856     0.9314     0.0542
 66   0     0.9137     1.0000     0.0863     0.9845     0.9338     0.0507
 67   0     0.9101     1.0000     0.0899     0.9833     0.9283     0.0550
 68   0     0.8989     1.0000     0.1011     0.9788     0.9269     0.0519
 69   0     0.9248     1.0000     0.0752     0.9934     0.9374     0.0560
 70   0     0.9241     1.0000     0.0759     0.9964     0.9435     0.0529
 71   0     0.9093     1.0000     0.0907     0.9831     0.9276     0.0555
 72   0     0.8990     1.0000     0.1010     0.9825     0.9323     0.0502
 73   0     0.9151     1.0000     0.0849     0.9856     0.9318     0.0538
 74   0     0.9106     1.0000     0.0894     0.9850     0.9337     0.0513
 75   0     6.1524     6.0000    -0.1524     4.0254     3.7190     0.3064
 76   0     6.1900     6.0000    -0.1900     4.0056     3.6850     0.3206
 77   0     6.1143     6.0000    -0.1143     3.9778     3.6575     0.3203
 78   0     6.1981     6.0000    -0.1981     4.0638     3.7404     0.3234
 79   0     6.1403     6.0000    -0.1403     4.0279     3.7102     0.3177
 80   0     0.9177     1.0000     0.0823     0.9934     0.9463     0.0471
 81   0     0.9269     1.0000     0.0731     0.9876     0.9369     0.0507
 82   0     0.9242     1.0000     0.0758     0.9878     0.9348     0.0530
 83   0     0.9253     1.0000     0.0747     0.9852     0.9343     0.0509
 84   0     0.9408     1.0000     0.0592     0.9955     0.9448     0.0507
 85   0     0.9331     1.0000     0.0669     0.9959     0.9424     0.0535
 86   0     0.9103     1.0000     0.0897     0.9854     0.9330     0.0524
 87   0     0.9092     1.0000     0.0908     0.9900     0.9399     0.0501
 88   0     0.9096     1.0000     0.0904     0.9907     0.9422     0.0485
 89   0     0.9169     1.0000     0.0831     0.9857     0.9312     0.0545
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.916902
                0             6               4            6                0.884909
                0             6               5            1                0.956359
                0             6               6            1                0.944447
                1             6               2            6                0.931399
                1             6               7            1                0.941128
                1             6               8            1                0.935675
                2             6               3            6                0.898428
                2             6               9            1                0.946710
                2             6              10            1                0.953826
                3             6               4            6                0.903120
                3             6              11            1                0.942973
                3             6              12            1                0.949890
                4             6              13            1                0.945784
                4             6              14            1                0.936666
               15             6              16            6                0.917765
               15             6              19            6                0.904927
               15             6              20            1                0.945254
               15             6              21            1                0.967071
               16             6              17            6                0.924064
               16             6              22            1                0.960409
               16             6              23            1                0.949871
               17             6              18            6                0.910180
               17             6              24            1                0.949698
               17             6              25            1                0.952527
               18             6              19            6                0.911482
               18             6              26            1                0.949400
               18             6              27            1                0.947249
               19             6              28            1                0.945215
               19             6              29            1                0.944999
               30             6              31            6                0.900289
               30             6              34            6                0.906576
               30             6              35            1                0.949891
               30             6              36            1                0.943101
               31             6              32            6                0.893852
               31             6              37            1                0.945734
               31             6              38            1                0.959658
               32             6              33            6                0.903326
               32             6              39            1                0.946940
               32             6              40            1                0.954321
               33             6              34            6                0.910063
               33             6              41            1                0.949022
               33             6              42            1                0.953418
               34             6              43            1                0.952743
               34             6              44            1                0.940517
               45             6              46            6                0.895934
               45             6              49            6                0.905855
               45             6              50            1                0.954829
               45             6              51            1                0.950954
               46             6              47            6                0.917391
               46             6              52            1                0.951950
               46             6              53            1                0.952314
               47             6              48            6                0.906646
               47             6              54            1                0.951824
               47             6              55            1                0.949964
               48             6              49            6                0.905459
               48             6              56            1                0.961301
               48             6              57            1                0.958428
               49             6              58            1                0.950065
               49             6              59            1                0.955365
               60             6              61            6                0.911674
               60             6              64            6                0.897033
               60             6              65            1                0.952914
               60             6              66            1                0.954685
               61             6              62            6                0.903652
               61             6              67            1                0.950335
               61             6              68            1                0.949418
               62             6              63            6                0.892726
               62             6              69            1                0.943074
               62             6              70            1                0.954059
               63             6              64            6                0.913136
               63             6              71            1                0.947320
               63             6              72            1                0.954363
               64             6              73            1                0.952441
               64             6              74            1                0.954420
               75             6              76            6                0.907207
               75             6              79            6                0.923392
               75             6              80            1                0.955568
               75             6              81            1                0.956298
               76             6              77            6                0.897766
               76             6              82            1                0.957847
               76             6              83            1                0.955844
               77             6              78            6                0.915700
               77             6              84            1                0.956058
               77             6              85            1                0.931069
               78             6              79            6                0.929019
               78             6              86            1                0.948853
               78             6              87            1                0.948792
               79             6              88            1                0.953423
               79             6              89            1                0.942246
# -----------------------------------------------------------
$ 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     6.2408     6.0000    -0.2408     3.9865     3.6571     0.3294
  1   0     6.1585     6.0000    -0.1585     4.0182     3.7030     0.3152
  2   0     6.2505     6.0000    -0.2505     3.9932     3.6703     0.3229
  3   0     6.2422     6.0000    -0.2422     3.9627     3.6280     0.3347
  4   0     6.2729     6.0000    -0.2729     3.9636     3.6170     0.3466
  5   0     0.8753     1.0000     0.1247     0.9688     0.9173     0.0515
  6   0     0.8901     1.0000     0.1099     0.9743     0.9228     0.0515
  7   0     0.8758     1.0000     0.1242     0.9797     0.9318     0.0479
  8   0     0.8868     1.0000     0.1132     0.9733     0.9188     0.0545
  9   0     0.8924     1.0000     0.1076     0.9722     0.9172     0.0550
 10   0     0.8739     1.0000     0.1261     0.9703     0.9199     0.0504
 11   0     0.8812     1.0000     0.1188     0.9721     0.9193     0.0528
 12   0     0.8885     1.0000     0.1115     0.9742     0.9205     0.0537
 13   0     0.8973     1.0000     0.1027     0.9830     0.9295     0.0535
 14   0     0.8607     1.0000     0.1393     0.9648     0.9151     0.0497
 15   0     6.1963     6.0000    -0.1963     3.9822     3.6702     0.3120
 16   0     6.2388     6.0000    -0.2388     4.0279     3.7124     0.3155
 17   0     6.1534     6.0000    -0.1534     3.9918     3.6760     0.3158
 18   0     6.2231     6.0000    -0.2231     3.9813     3.6579     0.3234
 19   0     6.2624     6.0000    -0.2624     4.0222     3.7011     0.3211
 20   0     0.8856     1.0000     0.1144     0.9761     0.9238     0.0523
 21   0     0.8920     1.0000     0.1080     0.9763     0.9269     0.0494
 22   0     0.8992     1.0000     0.1008     0.9788     0.9272     0.0516
 23   0     0.8869     1.0000     0.1131     0.9766     0.9268     0.0498
 24   0     0.9230     1.0000     0.0770     1.0161     0.9610     0.0551
 25   0     0.8933     1.0000     0.1067     0.9839     0.9345     0.0494
 26   0     0.9087     1.0000     0.0913     0.9820     0.9292     0.0528
 27   0     0.8873     1.0000     0.1127     0.9770     0.9261     0.0509
 28   0     0.8844     1.0000     0.1156     0.9667     0.9150     0.0517
 29   0     0.8698     1.0000     0.1302     0.9710     0.9228     0.0482
 30   0     6.2254     6.0000    -0.2254     3.9793     3.6551     0.3242
 31   0     6.2406     6.0000    -0.2406     3.9760     3.6545     0.3215
 32   0     6.2199     6.0000    -0.2199     3.9624     3.6417     0.3207
 33   0     6.2301     6.0000    -0.2301     3.9903     3.6696     0.3207
 34   0     6.2300     6.0000    -0.2300     3.9816     3.6617     0.3199
 35   0     0.8807     1.0000     0.1193     0.9763     0.9252     0.0511
 36   0     0.8845     1.0000     0.1155     0.9713     0.9172     0.0541
 37   0     0.8743     1.0000     0.1257     0.9751     0.9266     0.0485
 38   0     0.8902     1.0000     0.1098     0.9742     0.9212     0.0530
 39   0     0.8870     1.0000     0.1130     0.9743     0.9230     0.0513
 40   0     0.9032     1.0000     0.0968     0.9959     0.9439     0.0520
 41   0     0.8825     1.0000     0.1175     0.9736     0.9225     0.0511
 42   0     0.8889     1.0000     0.1111     0.9788     0.9278     0.0510
 43   0     0.8830     1.0000     0.1170     0.9722     0.9223     0.0499
 44   0     0.8775     1.0000     0.1225     0.9721     0.9185     0.0536
 45   0     6.2104     6.0000    -0.2104     3.9613     3.6435     0.3178
 46   0     6.2519     6.0000    -0.2519     3.9972     3.6847     0.3125
 47   0     6.1862     6.0000    -0.1862     3.9866     3.6749     0.3117
 48   0     6.2257     6.0000    -0.2257     3.9718     3.6629     0.3089
 49   0     6.2192     6.0000    -0.2192     3.9961     3.6823     0.3138
 50   0     0.8988     1.0000     0.1012     0.9851     0.9319     0.0532
 51   0     0.9007     1.0000     0.0993     0.9983     0.9446     0.0537
 52   0     0.8903     1.0000     0.1097     0.9786     0.9282     0.0504
 53   0     0.8843     1.0000     0.1157     0.9719     0.9210     0.0509
 54   0     0.8828     1.0000     0.1172     0.9802     0.9305     0.0497
 55   0     0.8957     1.0000     0.1043     0.9791     0.9282     0.0509
 56   0     0.8973     1.0000     0.1027     0.9777     0.9265     0.0512
 57   0     0.8861     1.0000     0.1139     0.9753     0.9271     0.0482
 58   0     0.8825     1.0000     0.1175     0.9759     0.9259     0.0500
 59   0     0.8900     1.0000     0.1100     0.9761     0.9238     0.0523
 60   0     6.2074     6.0000    -0.2074     3.9559     3.6408     0.3151
 61   0     6.2709     6.0000    -0.2709     4.0130     3.6894     0.3236
 62   0     6.1737     6.0000    -0.1737     3.9592     3.6449     0.3143
 63   0     6.2516     6.0000    -0.2516     4.0194     3.6976     0.3218
 64   0     6.2218     6.0000    -0.2218     3.9713     3.6535     0.3178
 65   0     0.8939     1.0000     0.1061     0.9768     0.9237     0.0531
 66   0     0.8880     1.0000     0.1120     0.9768     0.9272     0.0496
 67   0     0.8835     1.0000     0.1165     0.9744     0.9206     0.0538
 68   0     0.8763     1.0000     0.1237     0.9718     0.9209     0.0509
 69   0     0.9009     1.0000     0.0991     0.9894     0.9348     0.0546
 70   0     0.8971     1.0000     0.1029     0.9859     0.9343     0.0516
 71   0     0.8847     1.0000     0.1153     0.9751     0.9207     0.0544
 72   0     0.8758     1.0000     0.1242     0.9740     0.9248     0.0492
 73   0     0.8900     1.0000     0.1100     0.9776     0.9249     0.0527
 74   0     0.8865     1.0000     0.1135     0.9767     0.9265     0.0502
 75   0     6.2056     6.0000    -0.2056     4.0052     3.7028     0.3024
 76   0     6.2394     6.0000    -0.2394     3.9744     3.6577     0.3167
 77   0     6.1836     6.0000    -0.1836     3.9734     3.6573     0.3161
 78   0     6.2307     6.0000    -0.2307     4.0437     3.7248     0.3189
 79   0     6.1895     6.0000    -0.1895     4.0173     3.7037     0.3136
 80   0     0.8906     1.0000     0.1094     0.9838     0.9378     0.0460
 81   0     0.9011     1.0000     0.0989     0.9794     0.9297     0.0497
 82   0     0.8950     1.0000     0.1050     0.9781     0.9263     0.0518
 83   0     0.8989     1.0000     0.1011     0.9779     0.9281     0.0498
 84   0     0.9103     1.0000     0.0897     0.9843     0.9348     0.0495
 85   0     0.9012     1.0000     0.0988     0.9904     0.9384     0.0520
 86   0     0.8900     1.0000     0.1100     0.9781     0.9266     0.0515
 87   0     0.8887     1.0000     0.1113     0.9828     0.9337     0.0491
 88   0     0.8881     1.0000     0.1119     0.9821     0.9346     0.0475
 89   0     0.8943     1.0000     0.1057     0.9778     0.9242     0.0536
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.928217
                0             6               4            6                0.893652
                0             6               5            1                0.941101
                0             6               6            1                0.932430
                1             6               2            6                0.941086
                1             6               7            1                0.932518
                1             6               8            1                0.916112
                2             6               3            6                0.914460
                2             6               9            1                0.928007
                2             6              10            1                0.938609
                3             6               4            6                0.901553
                3             6              11            1                0.929333
                3             6              12            1                0.932702
                4             6              13            1                0.929342
                4             6              14            1                0.926216
               15             6              16            6                0.925906
               15             6              19            6                0.923040
               15             6              20            1                0.926068
               15             6              21            1                0.952945
               16             6              17            6                0.932476
               16             6              22            1                0.945336
               16             6              23            1                0.934527
               17             6              18            6                0.919196
               17             6              24            1                0.934845
               17             6              25            1                0.937910
               18             6              19            6                0.916824
               18             6              26            1                0.934089
               18             6              27            1                0.929453
               19             6              28            1                0.930884
               19             6              29            1                0.929894
               30             6              31            6                0.911604
               30             6              34            6                0.916336
               30             6              35            1                0.936682
               30             6              36            1                0.927436
               31             6              32            6                0.904796
               31             6              37            1                0.931268
               31             6              38            1                0.945968
               32             6              33            6                0.905874
               32             6              39            1                0.933723
               32             6              40            1                0.944035
               33             6              34            6                0.922099
               33             6              41            1                0.935064
               33             6              42            1                0.941589
               34             6              43            1                0.940281
               34             6              44            1                0.927054
               45             6              46            6                0.904227
               45             6              49            6                0.915961
               45             6              50            1                0.939073
               45             6              51            1                0.937326
               46             6              47            6                0.926031
               46             6              52            1                0.939806
               46             6              53            1                0.939331
               47             6              48            6                0.909268
               47             6              54            1                0.941097
               47             6              55            1                0.936263
               48             6              49            6                0.914586
               48             6              56            1                0.947096
               48             6              57            1                0.947390
               49             6              58            1                0.936055
               49             6              59            1                0.940708
               60             6              61            6                0.916702
               60             6              64            6                0.904670
               60             6              65            1                0.937657
               60             6              66            1                0.943672
               61             6              62            6                0.919645
               61             6              67            1                0.933408
               61             6              68            1                0.936516
               62             6              63            6                0.908931
               62             6              69            1                0.932141
               62             6              70            1                0.940057
               63             6              64            6                0.921235
               63             6              71            1                0.931189
               63             6              72            1                0.940988
               64             6              73            1                0.938690
               64             6              74            1                0.941897
               75             6              76            6                0.911075
               75             6              79            6                0.935173
               75             6              80            1                0.945079
               75             6              81            1                0.940132
               76             6              77            6                0.902208
               76             6              82            1                0.944702
               76             6              83            1                0.942117
               77             6              78            6                0.927249
               77             6              84            1                0.945198
               77             6              85            1                0.918949
               78             6              79            6                0.938805
               78             6              86            1                0.933289
               78             6              87            1                0.937631
               79             6              88            1                0.940063
               79             6              89            1                0.927355
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1900564742
        Correlation Energy:       -5.0815859852
        Total MP2 Energy:      -1176.2716424594
# -----------------------------------------------------------
$ 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) :        0.2083361879
        Electronic Contribution:
                  0    
      0      -0.674410
      1       0.732372
      2       0.440648
        Nuclear Contribution:
                  0    
      0       0.618571
      1      -0.714972
      2      -0.498070
        Total Dipole moment:
                  0    
      0      -0.055839
      1       0.017400
      2      -0.057422
# -----------------------------------------------------------
$ 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) :        0.2093534614
        Electronic Contribution:
                  0    
      0      -0.673757
      1       0.731233
      2       0.439130
        Nuclear Contribution:
                  0    
      0       0.618571
      1      -0.714972
      2      -0.498070
        Total Dipole moment:
                  0    
      0      -0.055186
      1       0.016261
      2      -0.058940
# -----------------------------------------------------------
$ 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) :        0.1893263468
        Electronic Contribution:
                  0    
      0      -0.652782
      1       0.705645
      2       0.432567
        Nuclear Contribution:
                  0    
      0       0.618571
      1      -0.714972
      2      -0.498070
        Total Dipole moment:
                  0    
      0      -0.034211
      1      -0.009326
      2      -0.065503
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     13.230000000000   18.190000000000   19.300000000000
               1 C     13.150000000000   18.190000000000   17.760000000000
               2 C     14.260000000000   17.240000000000   17.310000000000
               3 C     15.230000000000   16.920000000000   18.430000000000
               4 C     14.440000000000   17.260000000000   19.840000000000
               5 H     12.310000000000   17.730000000000   19.700000000000
               6 H     13.290000000000   19.160000000000   19.720000000000
               7 H     13.300000000000   19.150000000000   17.330000000000
               8 H     12.160000000000   17.670000000000   17.450000000000
               9 H     14.870000000000   17.630000000000   16.430000000000
              10 H     13.990000000000   16.280000000000   16.890000000000
              11 H     16.210000000000   17.460000000000   18.370000000000
              12 H     15.490000000000   15.820000000000   18.450000000000
              13 H     15.150000000000   17.870000000000   20.450000000000
              14 H     14.230000000000   16.310000000000   20.340000000000
              15 C     12.470000000000   19.840000000000   23.540000000000
              16 C     13.630000000000   20.330000000000   24.400000000000
              17 C     14.910000000000   20.000000000000   23.650000000000
              18 C     14.430000000000   19.890000000000   22.180000000000
              19 C     12.970000000000   19.390000000000   22.220000000000
              20 H     11.610000000000   20.560000000000   23.530000000000
              21 H     12.110000000000   19.000000000000   24.070000000000
              22 H     13.590000000000   19.710000000000   25.290000000000
              23 H     13.590000000000   21.380000000000   24.680000000000
              24 H     15.420000000000   19.070000000000   24.020000000000
              25 H     15.500000000000   20.860000000000   23.840000000000
              26 H     15.140000000000   19.280000000000   21.680000000000
              27 H     14.480000000000   20.900000000000   21.760000000000
              28 H     12.950000000000   18.280000000000   22.140000000000
              29 H     12.420000000000   19.770000000000   21.380000000000
              30 C     17.460000000000   17.030000000000   24.720000000000
              31 C     17.070000000000   16.930000000000   23.220000000000
              32 C     15.750000000000   16.140000000000   23.150000000000
              33 C     15.160000000000   16.070000000000   24.660000000000
              34 C     16.180000000000   16.700000000000   25.570000000000
              35 H     17.860000000000   18.030000000000   24.950000000000
              36 H     18.310000000000   16.300000000000   24.990000000000
              37 H     17.820000000000   16.600000000000   22.530000000000
              38 H     16.930000000000   17.950000000000   22.810000000000
              39 H     15.940000000000   15.150000000000   22.710000000000
              40 H     15.030000000000   16.560000000000   22.520000000000
              41 H     14.960000000000   15.030000000000   24.980000000000
              42 H     14.200000000000   16.580000000000   24.640000000000
              43 H     16.460000000000   15.970000000000   26.320000000000
              44 H     15.750000000000   17.580000000000   26.170000000000
              45 C     16.270000000000   20.990000000000   18.580000000000
              46 C     15.190000000000   21.540000000000   17.650000000000
              47 C     15.550000000000   22.930000000000   17.260000000000
              48 C     17.000000000000   23.110000000000   17.740000000000
              49 C     17.460000000000   21.970000000000   18.610000000000
              50 H     16.570000000000   19.990000000000   18.200000000000
              51 H     15.880000000000   20.740000000000   19.580000000000
              52 H     14.210000000000   21.560000000000   18.070000000000
              53 H     15.140000000000   20.880000000000   16.770000000000
              54 H     14.960000000000   23.770000000000   17.630000000000
              55 H     15.620000000000   23.000000000000   16.180000000000
              56 H     16.920000000000   24.050000000000   18.240000000000
              57 H     17.730000000000   23.270000000000   17.010000000000
              58 H     17.780000000000   22.290000000000   19.600000000000
              59 H     18.380000000000   21.490000000000   18.190000000000
              60 C     10.980000000000   23.970000000000   19.060000000000
              61 C     11.080000000000   22.610000000000   19.780000000000
              62 C     12.340000000000   22.670000000000   20.650000000000
              63 C     12.900000000000   24.100000000000   20.690000000000
              64 C     11.990000000000   24.920000000000   19.720000000000
              65 H      9.960000000000   24.430000000000   19.150000000000
              66 H     11.210000000000   23.980000000000   18.020000000000
              67 H     11.090000000000   21.830000000000   18.960000000000
              68 H     10.120000000000   22.390000000000   20.280000000000
              69 H     13.090000000000   21.950000000000   20.280000000000
              70 H     11.960000000000   22.390000000000   21.640000000000
              71 H     14.020000000000   24.090000000000   20.440000000000
              72 H     12.920000000000   24.520000000000   21.680000000000
              73 H     12.520000000000   25.440000000000   18.890000000000
              74 H     11.410000000000   25.700000000000   20.190000000000
              75 C     10.510000000000   12.680000000000   18.530000000000
              76 C     11.900000000000   13.290000000000   18.490000000000
              77 C     11.700000000000   14.810000000000   18.500000000000
              78 C     10.380000000000   15.060000000000   19.220000000000
              79 C      9.650000000000   13.640000000000   19.270000000000
              80 H     10.530000000000   11.770000000000   18.970000000000
              81 H     10.350000000000   12.540000000000   17.490000000000
              82 H     12.420000000000   12.950000000000   17.580000000000
              83 H     12.530000000000   12.970000000000   19.280000000000
              84 H     11.510000000000   14.940000000000   17.490000000000
              85 H     12.620000000000   15.300000000000   18.900000000000
              86 H      9.800000000000   15.740000000000   18.560000000000
              87 H     10.620000000000   15.440000000000   20.190000000000
              88 H      8.700000000000   13.610000000000   18.830000000000
              89 H      9.610000000000   13.270000000000   20.350000000000
