-------------------------------------------------------------
----------------------- !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:    -1171.1709496684
# -----------------------------------------------------------
$ 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     6.1695     6.0000    -0.1695     3.9060     3.9060     0.0000
  1   0     6.1425     6.0000    -0.1425     3.8391     3.8391     0.0000
  2   0     6.2100     6.0000    -0.2100     3.8916     3.8916     0.0000
  3   0     6.1021     6.0000    -0.1021     3.8773     3.8773    -0.0000
  4   0     6.1368     6.0000    -0.1368     3.9291     3.9291    -0.0000
  5   0     0.9156     1.0000     0.0844     0.9723     0.9723     0.0000
  6   0     0.9128     1.0000     0.0872     0.9803     0.9803     0.0000
  7   0     0.9268     1.0000     0.0732     0.9841     0.9841     0.0000
  8   0     0.9218     1.0000     0.0782     0.9775     0.9775     0.0000
  9   0     0.9248     1.0000     0.0752     0.9769     0.9769     0.0000
 10   0     0.9248     1.0000     0.0752     0.9771     0.9771     0.0000
 11   0     0.9341     1.0000     0.0659     0.9793     0.9793    -0.0000
 12   0     0.9293     1.0000     0.0707     0.9770     0.9770    -0.0000
 13   0     0.9181     1.0000     0.0819     0.9756     0.9756     0.0000
 14   0     0.9315     1.0000     0.0685     0.9875     0.9875    -0.0000
 15   0     6.2183     6.0000    -0.2183     3.9451     3.9451     0.0000
 16   0     6.2089     6.0000    -0.2089     3.9117     3.9117     0.0000
 17   0     6.1553     6.0000    -0.1553     3.8607     3.8607     0.0000
 18   0     6.1934     6.0000    -0.1934     3.9447     3.9447    -0.0000
 19   0     5.9905     6.0000     0.0095     3.8180     3.8180     0.0000
 20   0     0.9110     1.0000     0.0890     0.9684     0.9684    -0.0000
 21   0     0.9171     1.0000     0.0829     0.9633     0.9633    -0.0000
 22   0     0.9200     1.0000     0.0800     0.9678     0.9678     0.0000
 23   0     0.8976     1.0000     0.1024     0.9733     0.9733     0.0000
 24   0     0.9301     1.0000     0.0699     0.9648     0.9648     0.0000
 25   0     0.9118     1.0000     0.0882     0.9776     0.9776     0.0000
 26   0     0.9115     1.0000     0.0885     0.9647     0.9647    -0.0000
 27   0     0.9147     1.0000     0.0853     0.9736     0.9736    -0.0000
 28   0     1.0083     1.0000    -0.0083     1.0203     1.0203     0.0000
 29   0     0.9063     1.0000     0.0937     0.9748     0.9748    -0.0000
 30   0     6.1764     6.0000    -0.1764     3.9371     3.9371    -0.0000
 31   0     6.1538     6.0000    -0.1538     3.8961     3.8961    -0.0000
 32   0     6.2399     6.0000    -0.2399     3.8876     3.8876    -0.0000
 33   0     6.0067     6.0000    -0.0067     3.8092     3.8092    -0.0000
 34   0     6.1500     6.0000    -0.1500     3.8876     3.8876     0.0000
 35   0     0.9168     1.0000     0.0832     0.9722     0.9722     0.0000
 36   0     0.9068     1.0000     0.0932     0.9733     0.9733    -0.0000
 37   0     0.9215     1.0000     0.0785     0.9745     0.9745    -0.0000
 38   0     0.9074     1.0000     0.0926     0.9721     0.9721    -0.0000
 39   0     0.9160     1.0000     0.0840     0.9653     0.9653    -0.0000
 40   0     0.9239     1.0000     0.0761     0.9768     0.9768     0.0000
 41   0     0.9791     1.0000     0.0209     1.0398     1.0398    -0.0000
 42   0     0.9940     1.0000     0.0060     1.0183     1.0183    -0.0000
 43   0     0.8972     1.0000     0.1028     0.9728     0.9728     0.0000
 44   0     0.9334     1.0000     0.0666     0.9784     0.9784     0.0000
 45   0     6.1728     6.0000    -0.1728     3.8649     3.8649    -0.0000
 46   0     6.1970     6.0000    -0.1970     3.8900     3.8900     0.0000
 47   0     6.1272     6.0000    -0.1272     3.9006     3.9006     0.0000
 48   0     6.1755     6.0000    -0.1755     3.9355     3.9355     0.0000
 49   0     6.1373     6.0000    -0.1373     3.8429     3.8429     0.0000
 50   0     0.9225     1.0000     0.0775     0.9749     0.9749     0.0000
 51   0     0.9249     1.0000     0.0751     0.9821     0.9821    -0.0000
 52   0     0.9099     1.0000     0.0901     0.9716     0.9716    -0.0000
 53   0     0.9186     1.0000     0.0814     0.9757     0.9757    -0.0000
 54   0     0.9262     1.0000     0.0738     0.9858     0.9858     0.0000
 55   0     0.9109     1.0000     0.0891     0.9730     0.9730     0.0000
 56   0     0.9073     1.0000     0.0927     0.9731     0.9731     0.0000
 57   0     0.9123     1.0000     0.0877     0.9767     0.9767     0.0000
 58   0     0.9275     1.0000     0.0725     0.9822     0.9822     0.0000
 59   0     0.9364     1.0000     0.0636     0.9982     0.9982    -0.0000
 60   0     6.1622     6.0000    -0.1622     3.8866     3.8866    -0.0000
 61   0     6.1956     6.0000    -0.1956     3.8741     3.8741    -0.0000
 62   0     6.1829     6.0000    -0.1829     3.9184     3.9184    -0.0000
 63   0     6.1125     6.0000    -0.1125     3.8653     3.8653    -0.0000
 64   0     6.1484     6.0000    -0.1484     3.8788     3.8788    -0.0000
 65   0     0.9081     1.0000     0.0919     0.9761     0.9761     0.0000
 66   0     0.9236     1.0000     0.0764     0.9753     0.9753    -0.0000
 67   0     0.9118     1.0000     0.0882     0.9730     0.9730     0.0000
 68   0     0.9157     1.0000     0.0843     0.9782     0.9782    -0.0000
 69   0     0.9160     1.0000     0.0840     0.9806     0.9806     0.0000
 70   0     0.9058     1.0000     0.0942     0.9777     0.9777    -0.0000
 71   0     0.9363     1.0000     0.0637     0.9783     0.9783    -0.0000
 72   0     0.9204     1.0000     0.0796     0.9799     0.9799    -0.0000
 73   0     0.9314     1.0000     0.0686     0.9891     0.9891     0.0000
 74   0     0.9230     1.0000     0.0770     0.9753     0.9753     0.0000
 75   0     6.2110     6.0000    -0.2110     3.9000     3.9000    -0.0000
 76   0     6.1629     6.0000    -0.1629     3.8547     3.8547     0.0000
 77   0     6.1692     6.0000    -0.1692     3.8632     3.8632    -0.0000
 78   0     6.1677     6.0000    -0.1677     3.8893     3.8893    -0.0000
 79   0     6.1076     6.0000    -0.1076     3.8786     3.8786    -0.0000
 80   0     0.9171     1.0000     0.0829     0.9721     0.9721    -0.0000
 81   0     0.9095     1.0000     0.0905     0.9742     0.9742    -0.0000
 82   0     0.9137     1.0000     0.0863     0.9745     0.9745     0.0000
 83   0     0.9134     1.0000     0.0866     0.9696     0.9696     0.0000
 84   0     0.9099     1.0000     0.0901     0.9736     0.9736     0.0000
 85   0     0.9223     1.0000     0.0777     0.9721     0.9721     0.0000
 86   0     0.9209     1.0000     0.0791     0.9729     0.9729     0.0000
 87   0     0.9110     1.0000     0.0890     0.9733     0.9733    -0.0000
 88   0     0.9235     1.0000     0.0765     0.9930     0.9930    -0.0000
 89   0     0.9218     1.0000     0.0782     0.9783     0.9783    -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                0.947799
                0             6               4            6                0.988094
                0             6               5            1                0.992924
                0             6               6            1                0.996520
                1             6               2            6                0.959068
                1             6               7            1                0.994830
                1             6               8            1                0.994896
                2             6               3            6                0.957509
                2             6               9            1                0.996881
                2             6              10            1                0.998827
                3             6               4            6                0.976157
                3             6              11            1                0.996780
                3             6              12            1                1.002671
                4             6              13            1                0.990958
                4             6              14            1                1.001045
               15             6              16            6                1.001312
               15             6              19            6                0.959950
               15             6              20            1                0.999969
               15             6              21            1                1.002294
               16             6              17            6                0.936818
               16             6              22            1                0.996917
               16             6              23            1                0.995643
               17             6              18            6                0.975510
               17             6              24            1                0.998622
               17             6              25            1                1.001652
               18             6              19            6                0.975962
               18             6              26            1                1.008245
               18             6              27            1                0.986617
               19             6              28            1                0.988502
               19             6              29            1                0.990914
               30             6              31            6                0.984462
               30             6              34            6                0.973105
               30             6              35            1                0.996804
               30             6              36            1                0.988009
               31             6              32            6                0.962740
               31             6              37            1                0.999233
               31             6              38            1                0.988318
               32             6              33            6                0.933438
               32             6              39            1                0.999016
               32             6              40            1                1.002040
               33             6              34            6                0.957327
               33             6              41            1                1.003194
               33             6              42            1                0.987513
               34             6              43            1                0.988010
               34             6              44            1                0.997524
               45             6              46            6                0.966664
               45             6              49            6                0.956816
               45             6              50            1                0.978036
               45             6              51            1                0.999519
               46             6              47            6                0.963436
               46             6              52            1                1.002866
               46             6              53            1                0.995097
               47             6              48            6                0.990560
               47             6              54            1                1.004926
               47             6              55            1                0.985509
               48             6              49            6                0.961841
               48             6              56            1                0.998825
               48             6              57            1                0.991586
               49             6              58            1                1.006832
               49             6              59            1                0.994974
               60             6              61            6                0.960404
               60             6              64            6                0.966930
               60             6              65            1                0.993137
               60             6              66            1                0.995228
               61             6              62            6                0.967286
               61             6              67            1                0.990955
               61             6              68            1                0.997470
               62             6              63            6                0.971353
               62             6              69            1                0.998861
               62             6              70            1                0.992752
               63             6              64            6                0.949080
               63             6              71            1                0.999852
               63             6              72            1                0.992227
               64             6              73            1                1.004541
               64             6              74            1                0.995092
               75             6              76            6                0.960774
               75             6              79            6                0.964257
               75             6              80            1                1.001981
               75             6              81            1                0.987965
               76             6              77            6                0.957077
               76             6              82            1                0.985970
               76             6              83            1                0.996379
               77             6              78            6                0.949407
               77             6              84            1                0.989429
               77             6              85            1                0.997911
               78             6              79            6                0.970725
               78             6              86            1                0.997226
               78             6              87            1                0.992720
               79             6              88            1                0.999151
               79             6              89            1                0.990640
# -----------------------------------------------------------
$ 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     6.1777     6.0000    -0.1777     4.0158     3.6983     0.3175
  1   0     6.1492     6.0000    -0.1492     3.9472     3.6273     0.3199
  2   0     6.2181     6.0000    -0.2181     4.0036     3.6852     0.3184
  3   0     6.1101     6.0000    -0.1101     3.9805     3.6769     0.3036
  4   0     6.1442     6.0000    -0.1442     4.0322     3.7249     0.3073
  5   0     0.9118     1.0000     0.0882     0.9816     0.9262     0.0554
  6   0     0.9090     1.0000     0.0910     0.9892     0.9402     0.0490
  7   0     0.9232     1.0000     0.0768     0.9944     0.9411     0.0533
  8   0     0.9178     1.0000     0.0822     0.9871     0.9341     0.0530
  9   0     0.9209     1.0000     0.0791     0.9865     0.9345     0.0520
 10   0     0.9209     1.0000     0.0791     0.9866     0.9357     0.0509
 11   0     0.9302     1.0000     0.0698     0.9891     0.9385     0.0506
 12   0     0.9253     1.0000     0.0747     0.9868     0.9375     0.0493
 13   0     0.9143     1.0000     0.0857     0.9851     0.9348     0.0503
 14   0     0.9277     1.0000     0.0723     0.9971     0.9478     0.0493
 15   0     6.2257     6.0000    -0.2257     4.0552     3.7360     0.3192
 16   0     6.2176     6.0000    -0.2176     4.0273     3.7004     0.3269
 17   0     6.1636     6.0000    -0.1636     3.9750     3.6457     0.3293
 18   0     6.2020     6.0000    -0.2020     4.0553     3.7350     0.3203
 19   0     5.9986     6.0000     0.0014     3.9193     3.6072     0.3121
 20   0     0.9070     1.0000     0.0930     0.9776     0.9228     0.0548
 21   0     0.9131     1.0000     0.0869     0.9726     0.9215     0.0511
 22   0     0.9160     1.0000     0.0840     0.9771     0.9260     0.0511
 23   0     0.8937     1.0000     0.1063     0.9819     0.9317     0.0502
 24   0     0.9258     1.0000     0.0742     0.9748     0.9176     0.0572
 25   0     0.9072     1.0000     0.0928     0.9862     0.9366     0.0496
 26   0     0.9075     1.0000     0.0925     0.9741     0.9229     0.0512
 27   0     0.9104     1.0000     0.0896     0.9826     0.9308     0.0518
 28   0     1.0050     1.0000    -0.0050     1.0337     0.9739     0.0598
 29   0     0.9023     1.0000     0.0977     0.9834     0.9327     0.0507
 30   0     6.1842     6.0000    -0.1842     4.0448     3.7232     0.3216
 31   0     6.1609     6.0000    -0.1609     4.0023     3.6817     0.3206
 32   0     6.2485     6.0000    -0.2485     4.0056     3.6671     0.3385
 33   0     6.0122     6.0000    -0.0122     3.9081     3.5930     0.3151
 34   0     6.1582     6.0000    -0.1582     3.9987     3.6745     0.3242
 35   0     0.9130     1.0000     0.0870     0.9816     0.9297     0.0519
 36   0     0.9031     1.0000     0.0969     0.9824     0.9283     0.0541
 37   0     0.9177     1.0000     0.0823     0.9842     0.9299     0.0543
 38   0     0.9036     1.0000     0.0964     0.9810     0.9280     0.0530
 39   0     0.9122     1.0000     0.0878     0.9749     0.9174     0.0575
 40   0     0.9198     1.0000     0.0802     0.9863     0.9306     0.0557
 41   0     0.9755     1.0000     0.0245     1.0510     0.9942     0.0568
 42   0     0.9914     1.0000     0.0086     1.0324     0.9715     0.0609
 43   0     0.8932     1.0000     0.1068     0.9814     0.9308     0.0506
 44   0     0.9290     1.0000     0.0710     0.9881     0.9309     0.0572
 45   0     6.1801     6.0000    -0.1801     3.9784     3.6515     0.3269
 46   0     6.2054     6.0000    -0.2054     4.0044     3.6832     0.3212
 47   0     6.1354     6.0000    -0.1354     4.0074     3.6887     0.3187
 48   0     6.1838     6.0000    -0.1838     4.0455     3.7208     0.3247
 49   0     6.1449     6.0000    -0.1449     3.9549     3.6294     0.3255
 50   0     0.9186     1.0000     0.0814     0.9851     0.9341     0.0510
 51   0     0.9204     1.0000     0.0796     0.9913     0.9406     0.0507
 52   0     0.9057     1.0000     0.0943     0.9804     0.9308     0.0496
 53   0     0.9148     1.0000     0.0852     0.9854     0.9343     0.0511
 54   0     0.9223     1.0000     0.0777     0.9951     0.9459     0.0492
 55   0     0.9073     1.0000     0.0927     0.9822     0.9282     0.0540
 56   0     0.9032     1.0000     0.0968     0.9818     0.9312     0.0506
 57   0     0.9085     1.0000     0.0915     0.9860     0.9313     0.0547
 58   0     0.9231     1.0000     0.0769     0.9915     0.9384     0.0531
 59   0     0.9331     1.0000     0.0669     1.0090     0.9557     0.0533
 60   0     6.1698     6.0000    -0.1698     3.9946     3.6772     0.3174
 61   0     6.2027     6.0000    -0.2027     3.9861     3.6545     0.3316
 62   0     6.1907     6.0000    -0.1907     4.0285     3.7099     0.3186
 63   0     6.1205     6.0000    -0.1205     3.9723     3.6576     0.3147
 64   0     6.1570     6.0000    -0.1570     3.9907     3.6751     0.3156
 65   0     0.9042     1.0000     0.0958     0.9849     0.9372     0.0477
 66   0     0.9199     1.0000     0.0801     0.9849     0.9335     0.0514
 67   0     0.9081     1.0000     0.0919     0.9825     0.9283     0.0542
 68   0     0.9120     1.0000     0.0880     0.9879     0.9343     0.0536
 69   0     0.9121     1.0000     0.0879     0.9897     0.9376     0.0521
 70   0     0.9019     1.0000     0.0981     0.9867     0.9384     0.0483
 71   0     0.9325     1.0000     0.0675     0.9887     0.9343     0.0544
 72   0     0.9160     1.0000     0.0840     0.9887     0.9394     0.0493
 73   0     0.9275     1.0000     0.0725     0.9990     0.9480     0.0510
 74   0     0.9187     1.0000     0.0813     0.9847     0.9358     0.0489
 75   0     6.2187     6.0000    -0.2187     4.0113     3.6884     0.3229
 76   0     6.1711     6.0000    -0.1711     3.9667     3.6418     0.3249
 77   0     6.1781     6.0000    -0.1781     3.9766     3.6508     0.3258
 78   0     6.1755     6.0000    -0.1755     3.9985     3.6808     0.3177
 79   0     6.1151     6.0000    -0.1151     3.9837     3.6737     0.3100
 80   0     0.9132     1.0000     0.0868     0.9815     0.9292     0.0523
 81   0     0.9058     1.0000     0.0942     0.9833     0.9301     0.0532
 82   0     0.9100     1.0000     0.0900     0.9840     0.9290     0.0550
 83   0     0.9091     1.0000     0.0909     0.9785     0.9279     0.0506
 84   0     0.9058     1.0000     0.0942     0.9823     0.9322     0.0501
 85   0     0.9180     1.0000     0.0820     0.9815     0.9280     0.0535
 86   0     0.9170     1.0000     0.0830     0.9826     0.9303     0.0523
 87   0     0.9068     1.0000     0.0932     0.9823     0.9310     0.0513
 88   0     0.9198     1.0000     0.0802     1.0024     0.9532     0.0492
 89   0     0.9176     1.0000     0.0824     0.9876     0.9352     0.0524
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.887284
                0             6               4            6                0.928021
                0             6               5            1                0.948465
                0             6               6            1                0.957687
                1             6               2            6                0.895420
                1             6               7            1                0.952679
                1             6               8            1                0.952565
                2             6               3            6                0.899593
                2             6               9            1                0.955569
                2             6              10            1                0.958471
                3             6               4            6                0.913973
                3             6              11            1                0.957118
                3             6              12            1                0.964128
                4             6              13            1                0.951379
                4             6              14            1                0.962434
               15             6              16            6                0.940083
               15             6              19            6                0.899866
               15             6              20            1                0.955365
               15             6              21            1                0.961079
               16             6              17            6                0.871829
               16             6              22            1                0.955811
               16             6              23            1                0.955261
               17             6              18            6                0.915006
               17             6              24            1                0.951717
               17             6              25            1                0.961636
               18             6              19            6                0.913052
               18             6              26            1                0.966771
               18             6              27            1                0.945283
               19             6              28            1                0.943803
               19             6              29            1                0.949511
               30             6              31            6                0.921872
               30             6              34            6                0.910604
               30             6              35            1                0.955305
               30             6              36            1                0.944599
               31             6              32            6                0.900017
               31             6              37            1                0.955810
               31             6              38            1                0.945697
               32             6              33            6                0.870274
               32             6              39            1                0.952162
               32             6              40            1                0.957030
               33             6              34            6                0.897358
               33             6              41            1                0.958819
               33             6              42            1                0.942025
               34             6              43            1                0.947443
               34             6              44            1                0.951062
               45             6              46            6                0.903237
               45             6              49            6                0.890674
               45             6              50            1                0.938424
               45             6              51            1                0.958737
               46             6              47            6                0.902345
               46             6              52            1                0.962985
               46             6              53            1                0.954735
               47             6              48            6                0.925361
               47             6              54            1                0.966110
               47             6              55            1                0.942183
               48             6              49            6                0.901013
               48             6              56            1                0.958048
               48             6              57            1                0.947635
               49             6              58            1                0.964087
               49             6              59            1                0.953608
               60             6              61            6                0.893719
               60             6              64            6                0.905749
               60             6              65            1                0.955703
               60             6              66            1                0.954554
               61             6              62            6                0.903292
               61             6              67            1                0.947492
               61             6              68            1                0.954796
               62             6              63            6                0.910652
               62             6              69            1                0.957023
               62             6              70            1                0.954739
               63             6              64            6                0.888106
               63             6              71            1                0.956656
               63             6              72            1                0.953212
               64             6              73            1                0.964520
               64             6              74            1                0.956532
               75             6              76            6                0.898193
               75             6              79            6                0.903422
               75             6              80            1                0.960037
               75             6              81            1                0.945472
               76             6              77            6                0.894099
               76             6              82            1                0.941921
               76             6              83            1                0.955716
               77             6              78            6                0.887158
               77             6              84            1                0.949254
               77             6              85            1                0.954637
               78             6              79            6                0.910578
               78             6              86            1                0.955662
               78             6              87            1                0.951819
               79             6              88            1                0.960449
               79             6              89            1                0.949021
# -----------------------------------------------------------
$ 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     6.2249     6.0000    -0.2249     4.0086     3.6954     0.3132
  1   0     6.2032     6.0000    -0.2032     3.9451     3.6293     0.3158
  2   0     6.2680     6.0000    -0.2680     3.9800     3.6657     0.3143
  3   0     6.1692     6.0000    -0.1692     3.9572     3.6573     0.2999
  4   0     6.2002     6.0000    -0.2002     4.0096     3.7059     0.3037
  5   0     0.8888     1.0000     0.1112     0.9735     0.9190     0.0545
  6   0     0.8836     1.0000     0.1164     0.9808     0.9328     0.0480
  7   0     0.8944     1.0000     0.1056     0.9847     0.9327     0.0520
  8   0     0.8929     1.0000     0.1071     0.9789     0.9270     0.0519
  9   0     0.8919     1.0000     0.1081     0.9783     0.9275     0.0508
 10   0     0.8920     1.0000     0.1080     0.9770     0.9273     0.0497
 11   0     0.9015     1.0000     0.0985     0.9818     0.9324     0.0494
 12   0     0.8995     1.0000     0.1005     0.9807     0.9324     0.0483
 13   0     0.8904     1.0000     0.1096     0.9790     0.9297     0.0493
 14   0     0.8994     1.0000     0.1006     0.9865     0.9383     0.0482
 15   0     6.2623     6.0000    -0.2623     4.0326     3.7183     0.3143
 16   0     6.2703     6.0000    -0.2703     4.0140     3.6914     0.3226
 17   0     6.2234     6.0000    -0.2234     3.9693     3.6445     0.3248
 18   0     6.2503     6.0000    -0.2503     4.0255     3.7099     0.3156
 19   0     6.0771     6.0000    -0.0771     3.9255     3.6172     0.3083
 20   0     0.8807     1.0000     0.1193     0.9687     0.9151     0.0536
 21   0     0.8861     1.0000     0.1139     0.9679     0.9181     0.0498
 22   0     0.8872     1.0000     0.1128     0.9712     0.9214     0.0498
 23   0     0.8701     1.0000     0.1299     0.9734     0.9243     0.0491
 24   0     0.8972     1.0000     0.1028     0.9716     0.9160     0.0556
 25   0     0.8796     1.0000     0.1204     0.9771     0.9288     0.0483
 26   0     0.8762     1.0000     0.1238     0.9688     0.9191     0.0497
 27   0     0.8883     1.0000     0.1117     0.9757     0.9250     0.0507
 28   0     0.9681     1.0000     0.0319     1.0271     0.9689     0.0582
 29   0     0.8785     1.0000     0.1215     0.9741     0.9244     0.0497
 30   0     6.2288     6.0000    -0.2288     4.0262     3.7089     0.3173
 31   0     6.2047     6.0000    -0.2047     3.9866     3.6704     0.3162
 32   0     6.2850     6.0000    -0.2850     3.9848     3.6515     0.3333
 33   0     6.0888     6.0000    -0.0888     3.9189     3.6081     0.3108
 34   0     6.2116     6.0000    -0.2116     3.9966     3.6771     0.3195
 35   0     0.8883     1.0000     0.1117     0.9732     0.9223     0.0509
 36   0     0.8816     1.0000     0.1184     0.9748     0.9216     0.0532
 37   0     0.8940     1.0000     0.1060     0.9747     0.9214     0.0533
 38   0     0.8818     1.0000     0.1182     0.9744     0.9224     0.0520
 39   0     0.8869     1.0000     0.1131     0.9668     0.9105     0.0563
 40   0     0.8912     1.0000     0.1088     0.9770     0.9227     0.0543
 41   0     0.9377     1.0000     0.0623     1.0356     0.9804     0.0552
 42   0     0.9675     1.0000     0.0325     1.0294     0.9701     0.0593
 43   0     0.8723     1.0000     0.1277     0.9756     0.9261     0.0495
 44   0     0.9020     1.0000     0.0980     0.9803     0.9244     0.0559
 45   0     6.2225     6.0000    -0.2225     3.9585     3.6363     0.3222
 46   0     6.2530     6.0000    -0.2530     3.9855     3.6683     0.3172
 47   0     6.1906     6.0000    -0.1906     3.9973     3.6826     0.3147
 48   0     6.2247     6.0000    -0.2247     4.0211     3.7009     0.3202
 49   0     6.2075     6.0000    -0.2075     3.9475     3.6265     0.3210
 50   0     0.9018     1.0000     0.0982     0.9925     0.9427     0.0498
 51   0     0.8940     1.0000     0.1060     0.9809     0.9314     0.0495
 52   0     0.8784     1.0000     0.1216     0.9711     0.9227     0.0484
 53   0     0.8884     1.0000     0.1116     0.9773     0.9273     0.0500
 54   0     0.8953     1.0000     0.1047     0.9839     0.9358     0.0481
 55   0     0.8851     1.0000     0.1149     0.9749     0.9218     0.0531
 56   0     0.8826     1.0000     0.1174     0.9746     0.9250     0.0496
 57   0     0.8847     1.0000     0.1153     0.9786     0.9250     0.0536
 58   0     0.8954     1.0000     0.1046     0.9805     0.9286     0.0519
 59   0     0.9024     1.0000     0.0976     1.0069     0.9550     0.0519
 60   0     6.2203     6.0000    -0.2203     3.9724     3.6588     0.3136
 61   0     6.2404     6.0000    -0.2404     3.9726     3.6453     0.3273
 62   0     6.2400     6.0000    -0.2400     4.0066     3.6919     0.3147
 63   0     6.1878     6.0000    -0.1878     3.9656     3.6548     0.3108
 64   0     6.2178     6.0000    -0.2178     3.9619     3.6501     0.3118
 65   0     0.8804     1.0000     0.1196     0.9777     0.9310     0.0467
 66   0     0.8930     1.0000     0.1070     0.9768     0.9265     0.0503
 67   0     0.8847     1.0000     0.1153     0.9753     0.9221     0.0532
 68   0     0.8889     1.0000     0.1111     0.9793     0.9267     0.0526
 69   0     0.8834     1.0000     0.1166     0.9796     0.9288     0.0508
 70   0     0.8784     1.0000     0.1216     0.9774     0.9301     0.0473
 71   0     0.8997     1.0000     0.1003     0.9824     0.9295     0.0529
 72   0     0.8927     1.0000     0.1073     0.9812     0.9330     0.0482
 73   0     0.8952     1.0000     0.1048     0.9888     0.9392     0.0496
 74   0     0.8922     1.0000     0.1078     0.9764     0.9286     0.0478
 75   0     6.2585     6.0000    -0.2585     3.9881     3.6696     0.3185
 76   0     6.2216     6.0000    -0.2216     3.9474     3.6267     0.3207
 77   0     6.2335     6.0000    -0.2335     3.9591     3.6376     0.3215
 78   0     6.2184     6.0000    -0.2184     3.9759     3.6626     0.3133
 79   0     6.1764     6.0000    -0.1764     3.9770     3.6710     0.3060
 80   0     0.8868     1.0000     0.1132     0.9715     0.9202     0.0513
 81   0     0.8825     1.0000     0.1175     0.9761     0.9240     0.0521
 82   0     0.8848     1.0000     0.1152     0.9772     0.9234     0.0538
 83   0     0.8866     1.0000     0.1134     0.9717     0.9221     0.0496
 84   0     0.8792     1.0000     0.1208     0.9770     0.9281     0.0489
 85   0     0.8941     1.0000     0.1059     0.9734     0.9209     0.0525
 86   0     0.8906     1.0000     0.1094     0.9795     0.9285     0.0510
 87   0     0.8855     1.0000     0.1145     0.9754     0.9250     0.0504
 88   0     0.8894     1.0000     0.1106     0.9964     0.9485     0.0479
 89   0     0.8937     1.0000     0.1063     0.9786     0.9272     0.0514
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.907023
                0             6               4            6                0.937028
                0             6               5            1                0.928781
                0             6               6            1                0.946623
                1             6               2            6                0.900547
                1             6               7            1                0.937941
                1             6               8            1                0.938249
                2             6               3            6                0.906557
                2             6               9            1                0.941257
                2             6              10            1                0.946853
                3             6               4            6                0.916084
                3             6              11            1                0.946380
                3             6              12            1                0.952011
                4             6              13            1                0.940251
                4             6              14            1                0.950401
               15             6              16            6                0.942522
               15             6              19            6                0.922600
               15             6              20            1                0.934286
               15             6              21            1                0.946333
               16             6              17            6                0.877929
               16             6              22            1                0.946557
               16             6              23            1                0.936677
               17             6              18            6                0.921400
               17             6              24            1                0.936999
               17             6              25            1                0.945914
               18             6              19            6                0.914432
               18             6              26            1                0.952843
               18             6              27            1                0.928484
               19             6              28            1                0.929976
               19             6              29            1                0.934946
               30             6              31            6                0.932330
               30             6              34            6                0.921719
               30             6              35            1                0.942603
               30             6              36            1                0.927565
               31             6              32            6                0.910231
               31             6              37            1                0.937201
               31             6              38            1                0.933213
               32             6              33            6                0.889013
               32             6              39            1                0.934642
               32             6              40            1                0.937390
               33             6              34            6                0.916652
               33             6              41            1                0.944488
               33             6              42            1                0.924752
               34             6              43            1                0.934286
               34             6              44            1                0.934463
               45             6              46            6                0.908061
               45             6              49            6                0.893846
               45             6              50            1                0.928768
               45             6              51            1                0.945900
               46             6              47            6                0.915326
               46             6              52            1                0.949585
               46             6              53            1                0.940479
               47             6              48            6                0.931399
               47             6              54            1                0.952819
               47             6              55            1                0.925723
               48             6              49            6                0.915543
               48             6              56            1                0.942328
               48             6              57            1                0.930731
               49             6              58            1                0.945923
               49             6              59            1                0.941589
               60             6              61            6                0.899767
               60             6              64            6                0.907656
               60             6              65            1                0.945988
               60             6              66            1                0.942774
               61             6              62            6                0.914710
               61             6              67            1                0.935880
               61             6              68            1                0.940737
               62             6              63            6                0.915720
               62             6              69            1                0.942780
               62             6              70            1                0.942481
               63             6              64            6                0.897683
               63             6              71            1                0.944653
               63             6              72            1                0.938894
               64             6              73            1                0.951492
               64             6              74            1                0.943947
               75             6              76            6                0.905489
               75             6              79            6                0.913089
               75             6              80            1                0.946246
               75             6              81            1                0.929869
               76             6              77            6                0.900875
               76             6              82            1                0.926453
               76             6              83            1                0.944618
               77             6              78            6                0.891591
               77             6              84            1                0.938302
               77             6              85            1                0.940420
               78             6              79            6                0.921822
               78             6              86            1                0.943495
               78             6              87            1                0.936430
               79             6              88            1                0.950287
               79             6              89            1                0.931805
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1709496684
        Correlation Energy:       -5.0788563615
        Total MP2 Energy:      -1176.2498060300
# -----------------------------------------------------------
$ 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) :        0.1655370561
        Electronic Contribution:
                  0    
      0      -1.076715
      1       0.110323
      2      -0.488197
        Nuclear Contribution:
                  0    
      0       1.124675
      1      -0.072301
      2       0.465937
        Total Dipole moment:
                  0    
      0       0.047960
      1       0.038023
      2      -0.022260
# -----------------------------------------------------------
$ 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) :        0.1683164761
        Electronic Contribution:
                  0    
      0      -1.075252
      1       0.110481
      2      -0.487953
        Nuclear Contribution:
                  0    
      0       1.124675
      1      -0.072301
      2       0.465937
        Total Dipole moment:
                  0    
      0       0.049422
      1       0.038180
      2      -0.022016
# -----------------------------------------------------------
$ 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) :        0.1873804666
        Electronic Contribution:
                  0    
      0      -1.059003
      1       0.105789
      2      -0.466484
        Nuclear Contribution:
                  0    
      0       1.124675
      1      -0.072301
      2       0.465937
        Total Dipole moment:
                  0    
      0       0.065672
      1       0.033489
      2      -0.000547
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     17.370000000000   17.670000000000   17.510000000000
               1 C     18.260000000000   17.820000000000   18.750000000000
               2 C     18.960000000000   19.210000000000   18.660000000000
               3 C     18.500000000000   19.840000000000   17.420000000000
               4 C     17.680000000000   18.850000000000   16.620000000000
               5 H     16.260000000000   17.610000000000   17.830000000000
               6 H     17.500000000000   16.750000000000   17.020000000000
               7 H     19.000000000000   17.030000000000   18.800000000000
               8 H     17.800000000000   17.790000000000   19.750000000000
               9 H     20.040000000000   19.180000000000   18.700000000000
              10 H     18.730000000000   19.860000000000   19.470000000000
              11 H     19.350000000000   20.100000000000   16.840000000000
              12 H     17.910000000000   20.670000000000   17.670000000000
              13 H     18.250000000000   18.660000000000   15.730000000000
              14 H     16.840000000000   19.400000000000   16.370000000000
              15 C     21.030000000000   17.360000000000   21.010000000000
              16 C     20.330000000000   16.050000000000   20.910000000000
              17 C     21.130000000000   15.100000000000   21.940000000000
              18 C     22.130000000000   15.920000000000   22.660000000000
              19 C     22.120000000000   17.320000000000   22.040000000000
              20 H     20.310000000000   18.230000000000   21.160000000000
              21 H     21.370000000000   17.590000000000   20.040000000000
              22 H     20.420000000000   15.610000000000   19.950000000000
              23 H     19.260000000000   16.110000000000   21.030000000000
              24 H     21.660000000000   14.270000000000   21.360000000000
              25 H     20.520000000000   14.570000000000   22.620000000000
              26 H     23.090000000000   15.480000000000   22.550000000000
              27 H     21.920000000000   15.940000000000   23.740000000000
              28 H     23.130000000000   17.490000000000   21.630000000000
              29 H     21.930000000000   18.160000000000   22.700000000000
              30 C     24.310000000000   14.260000000000   17.750000000000
              31 C     24.990000000000   13.030000000000   18.370000000000
              32 C     25.030000000000   13.240000000000   19.880000000000
              33 C     24.470000000000   14.650000000000   20.210000000000
              34 C     24.010000000000   15.220000000000   18.910000000000
              35 H     23.360000000000   13.970000000000   17.310000000000
              36 H     24.900000000000   14.690000000000   16.870000000000
              37 H     26.070000000000   13.010000000000   18.090000000000
              38 H     24.560000000000   12.020000000000   18.130000000000
              39 H     26.100000000000   13.020000000000   20.260000000000
              40 H     24.570000000000   12.350000000000   20.400000000000
              41 H     25.290000000000   15.190000000000   20.700000000000
              42 H     23.730000000000   14.530000000000   21.020000000000
              43 H     24.310000000000   16.250000000000   18.750000000000
              44 H     22.860000000000   15.220000000000   18.950000000000
              45 C     22.880000000000   12.510000000000   23.290000000000
              46 C     23.700000000000   11.210000000000   23.050000000000
              47 C     23.530000000000   10.250000000000   24.230000000000
              48 C     22.530000000000   10.970000000000   25.180000000000
              49 C     21.870000000000   12.120000000000   24.420000000000
              50 H     22.390000000000   12.840000000000   22.420000000000
              51 H     23.480000000000   13.210000000000   23.830000000000
              52 H     24.700000000000   11.490000000000   22.850000000000
              53 H     23.420000000000   10.780000000000   22.120000000000
              54 H     24.450000000000   10.160000000000   24.700000000000
              55 H     23.190000000000    9.180000000000   24.030000000000
              56 H     23.140000000000   11.300000000000   26.010000000000
              57 H     21.800000000000   10.200000000000   25.590000000000
              58 H     21.830000000000   13.000000000000   25.070000000000
              59 H     20.890000000000   12.070000000000   24.010000000000
              60 C     17.940000000000   11.160000000000   24.630000000000
              61 C     17.320000000000   12.190000000000   23.610000000000
              62 C     18.030000000000   12.000000000000   22.200000000000
              63 C     19.180000000000   11.040000000000   22.410000000000
              64 C     18.950000000000   10.400000000000   23.770000000000
              65 H     17.200000000000   10.600000000000   25.100000000000
              66 H     18.430000000000   11.750000000000   25.380000000000
              67 H     17.420000000000   13.220000000000   24.060000000000
              68 H     16.260000000000   11.910000000000   23.720000000000
              69 H     18.370000000000   12.960000000000   21.800000000000
              70 H     17.420000000000   11.660000000000   21.430000000000
              71 H     20.170000000000   11.530000000000   22.370000000000
              72 H     19.200000000000   10.280000000000   21.670000000000
              73 H     19.850000000000   10.190000000000   24.260000000000
              74 H     18.620000000000    9.430000000000   23.630000000000
              75 C     26.730000000000   17.190000000000   23.020000000000
              76 C     27.410000000000   16.750000000000   21.710000000000
              77 C     26.740000000000   17.470000000000   20.520000000000
              78 C     25.740000000000   18.440000000000   21.140000000000
              79 C     25.640000000000   18.170000000000   22.620000000000
              80 H     27.500000000000   17.670000000000   23.630000000000
              81 H     26.450000000000   16.340000000000   23.690000000000
              82 H     27.440000000000   15.620000000000   21.570000000000
              83 H     28.440000000000   17.060000000000   21.770000000000
              84 H     26.370000000000   16.820000000000   19.750000000000
              85 H     27.540000000000   18.100000000000   20.060000000000
              86 H     24.780000000000   18.290000000000   20.670000000000
              87 H     26.130000000000   19.400000000000   20.790000000000
              88 H     24.680000000000   17.840000000000   22.820000000000
              89 H     25.820000000000   19.080000000000   23.220000000000
