-------------------------------------------------------------
----------------------- !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:    -1171.2050881564
# -----------------------------------------------------------
$ 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     6.1329     6.0000    -0.1329     3.9051     3.9051     0.0000
  1   0     6.2165     6.0000    -0.2165     3.8790     3.8790     0.0000
  2   0     6.1235     6.0000    -0.1235     3.8527     3.8527    -0.0000
  3   0     6.1818     6.0000    -0.1818     3.9058     3.9058     0.0000
  4   0     6.1538     6.0000    -0.1538     3.9022     3.9022     0.0000
  5   0     0.9123     1.0000     0.0877     0.9791     0.9791     0.0000
  6   0     0.9150     1.0000     0.0850     0.9772     0.9772     0.0000
  7   0     0.9183     1.0000     0.0817     0.9776     0.9776     0.0000
  8   0     0.9104     1.0000     0.0896     0.9776     0.9776     0.0000
  9   0     0.9199     1.0000     0.0801     0.9750     0.9750    -0.0000
 10   0     0.9329     1.0000     0.0671     0.9752     0.9752     0.0000
 11   0     0.9178     1.0000     0.0822     0.9729     0.9729     0.0000
 12   0     0.9224     1.0000     0.0776     0.9725     0.9725     0.0000
 13   0     0.9163     1.0000     0.0837     0.9779     0.9779    -0.0000
 14   0     0.9213     1.0000     0.0787     0.9764     0.9764     0.0000
 15   0     6.1438     6.0000    -0.1438     3.8860     3.8860    -0.0000
 16   0     6.1763     6.0000    -0.1763     3.8846     3.8846     0.0000
 17   0     6.1570     6.0000    -0.1570     3.8485     3.8485     0.0000
 18   0     6.1661     6.0000    -0.1661     3.8774     3.8774    -0.0000
 19   0     6.1892     6.0000    -0.1892     3.8807     3.8807    -0.0000
 20   0     0.9031     1.0000     0.0969     0.9742     0.9742    -0.0000
 21   0     0.9168     1.0000     0.0832     0.9834     0.9834    -0.0000
 22   0     0.9033     1.0000     0.0967     0.9731     0.9731     0.0000
 23   0     0.9233     1.0000     0.0767     0.9791     0.9791    -0.0000
 24   0     0.9276     1.0000     0.0724     0.9813     0.9813     0.0000
 25   0     0.9269     1.0000     0.0731     0.9903     0.9903     0.0000
 26   0     0.9204     1.0000     0.0796     0.9792     0.9792    -0.0000
 27   0     0.9135     1.0000     0.0865     0.9739     0.9739    -0.0000
 28   0     0.9148     1.0000     0.0852     0.9721     0.9721    -0.0000
 29   0     0.9167     1.0000     0.0833     0.9735     0.9735    -0.0000
 30   0     6.2202     6.0000    -0.2202     3.9322     3.9322    -0.0000
 31   0     6.1107     6.0000    -0.1107     3.8726     3.8726    -0.0000
 32   0     6.1885     6.0000    -0.1885     3.9171     3.9171    -0.0000
 33   0     6.1597     6.0000    -0.1597     3.8885     3.8885    -0.0000
 34   0     6.0942     6.0000    -0.0942     3.8282     3.8282    -0.0000
 35   0     0.9265     1.0000     0.0735     0.9748     0.9748    -0.0000
 36   0     0.9072     1.0000     0.0928     0.9700     0.9700    -0.0000
 37   0     0.9230     1.0000     0.0770     0.9752     0.9752     0.0000
 38   0     0.9238     1.0000     0.0762     0.9849     0.9849    -0.0000
 39   0     0.9139     1.0000     0.0861     0.9717     0.9717    -0.0000
 40   0     0.9173     1.0000     0.0827     0.9752     0.9752    -0.0000
 41   0     0.9134     1.0000     0.0866     0.9686     0.9686    -0.0000
 42   0     0.9265     1.0000     0.0735     0.9724     0.9724     0.0000
 43   0     0.9181     1.0000     0.0819     0.9816     0.9816    -0.0000
 44   0     0.9580     1.0000     0.0420     1.0083     1.0083     0.0000
 45   0     6.1274     6.0000    -0.1274     3.9379     3.9379    -0.0000
 46   0     6.1576     6.0000    -0.1576     3.9255     3.9255     0.0000
 47   0     6.1007     6.0000    -0.1007     3.8649     3.8649    -0.0000
 48   0     6.2211     6.0000    -0.2211     3.9048     3.9048     0.0000
 49   0     6.1665     6.0000    -0.1665     3.8958     3.8958     0.0000
 50   0     0.9142     1.0000     0.0858     0.9751     0.9751    -0.0000
 51   0     0.9271     1.0000     0.0729     0.9811     0.9811    -0.0000
 52   0     0.9214     1.0000     0.0786     0.9726     0.9726     0.0000
 53   0     0.9309     1.0000     0.0691     0.9793     0.9793    -0.0000
 54   0     0.9321     1.0000     0.0679     0.9824     0.9824     0.0000
 55   0     0.9393     1.0000     0.0607     0.9792     0.9792    -0.0000
 56   0     0.9154     1.0000     0.0846     0.9753     0.9753    -0.0000
 57   0     0.9059     1.0000     0.0941     0.9652     0.9652     0.0000
 58   0     0.9083     1.0000     0.0917     0.9750     0.9750     0.0000
 59   0     0.9278     1.0000     0.0722     0.9815     0.9815     0.0000
 60   0     6.1929     6.0000    -0.1929     3.9053     3.9053    -0.0000
 61   0     6.1446     6.0000    -0.1446     3.8891     3.8891     0.0000
 62   0     6.1822     6.0000    -0.1822     3.8889     3.8889    -0.0000
 63   0     6.1536     6.0000    -0.1536     3.9202     3.9202    -0.0000
 64   0     6.1110     6.0000    -0.1110     3.8413     3.8413    -0.0000
 65   0     0.9139     1.0000     0.0861     0.9760     0.9760    -0.0000
 66   0     0.9234     1.0000     0.0766     0.9776     0.9776    -0.0000
 67   0     0.9102     1.0000     0.0898     0.9754     0.9754     0.0000
 68   0     0.9305     1.0000     0.0695     0.9766     0.9766     0.0000
 69   0     0.9168     1.0000     0.0832     0.9761     0.9761    -0.0000
 70   0     0.9225     1.0000     0.0775     0.9749     0.9749    -0.0000
 71   0     0.9250     1.0000     0.0750     0.9751     0.9751     0.0000
 72   0     0.9065     1.0000     0.0935     0.9746     0.9746    -0.0000
 73   0     0.9498     1.0000     0.0502     0.9989     0.9989    -0.0000
 74   0     0.9228     1.0000     0.0772     0.9805     0.9805    -0.0000
 75   0     6.1729     6.0000    -0.1729     3.9055     3.9055     0.0000
 76   0     6.1556     6.0000    -0.1556     3.8573     3.8573    -0.0000
 77   0     6.1748     6.0000    -0.1748     3.9271     3.9271    -0.0000
 78   0     6.1283     6.0000    -0.1283     3.9124     3.9124     0.0000
 79   0     6.1840     6.0000    -0.1840     3.8852     3.8852     0.0000
 80   0     0.9271     1.0000     0.0729     0.9756     0.9756     0.0000
 81   0     0.8973     1.0000     0.1027     0.9737     0.9737     0.0000
 82   0     0.9421     1.0000     0.0579     0.9857     0.9857     0.0000
 83   0     0.9097     1.0000     0.0903     0.9761     0.9761    -0.0000
 84   0     0.9275     1.0000     0.0725     0.9721     0.9721    -0.0000
 85   0     0.9143     1.0000     0.0857     0.9740     0.9740    -0.0000
 86   0     0.9168     1.0000     0.0832     0.9742     0.9742     0.0000
 87   0     0.9185     1.0000     0.0815     0.9788     0.9788     0.0000
 88   0     0.9125     1.0000     0.0875     0.9748     0.9748     0.0000
 89   0     0.9220     1.0000     0.0780     0.9748     0.9748    -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                0.963249
                0             6               4            6                0.977475
                0             6               5            1                0.994271
                0             6               6            1                0.995838
                1             6               2            6                0.955037
                1             6               7            1                0.991974
                1             6               8            1                0.989861
                2             6               3            6                0.967715
                2             6               9            1                0.991695
                2             6              10            1                0.998720
                3             6               4            6                0.972671
                3             6              11            1                0.994870
                3             6              12            1                0.998024
                4             6              13            1                0.989453
                4             6              14            1                0.994024
               15             6              16            6                0.983467
               15             6              19            6                0.965902
               15             6              20            1                0.981005
               15             6              21            1                0.989328
               16             6              17            6                0.946398
               16             6              22            1                0.989404
               16             6              23            1                0.997265
               17             6              18            6                0.959350
               17             6              24            1                0.995103
               17             6              25            1                0.995407
               18             6              19            6                0.968781
               18             6              26            1                0.998842
               18             6              27            1                0.983218
               19             6              28            1                0.998056
               19             6              29            1                0.991040
               30             6              31            6                0.970132
               30             6              34            6                0.974155
               30             6              35            1                0.996965
               30             6              36            1                0.992792
               31             6              32            6                0.978642
               31             6              37            1                0.988755
               31             6              38            1                0.995720
               32             6              33            6                0.974345
               32             6              39            1                0.991280
               32             6              40            1                0.991497
               33             6              34            6                0.943284
               33             6              41            1                0.992211
               33             6              42            1                0.999191
               34             6              43            1                0.991754
               34             6              44            1                0.991799
               45             6              46            6                0.999990
               45             6              49            6                0.986977
               45             6              50            1                0.990966
               45             6              51            1                0.994565
               46             6              47            6                0.956647
               46             6              52            1                0.992287
               46             6              53            1                1.003561
               47             6              48            6                0.966524
               47             6              54            1                0.987106
               47             6              55            1                1.000601
               48             6              49            6                0.954924
               48             6              56            1                0.995205
               48             6              57            1                0.996251
               49             6              58            1                0.993276
               49             6              59            1                1.000105
               60             6              61            6                0.982402
               60             6              64            6                0.955183
               60             6              65            1                0.998085
               60             6              66            1                0.984110
               61             6              62            6                0.955296
               61             6              67            1                0.987860
               61             6              68            1                1.002700
               62             6              63            6                0.979863
               62             6              69            1                0.993372
               62             6              70            1                0.997745
               63             6              64            6                0.971453
               63             6              71            1                0.990200
               63             6              72            1                0.992469
               64             6              73            1                0.990404
               64             6              74            1                0.988710
               75             6              76            6                0.962862
               75             6              79            6                0.963353
               75             6              80            1                1.005155
               75             6              81            1                0.983547
               76             6              77            6                0.968307
               76             6              82            1                0.992669
               76             6              83            1                1.000008
               77             6              78            6                0.992775
               77             6              84            1                0.986953
               77             6              85            1                0.986372
               78             6              79            6                0.974818
               78             6              86            1                0.986515
               78             6              87            1                0.993652
               79             6              88            1                0.989014
               79             6              89            1                1.007791
# -----------------------------------------------------------
$ 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     6.1403     6.0000    -0.1403     4.0106     3.6965     0.3141
  1   0     6.2234     6.0000    -0.2234     3.9922     3.6641     0.3281
  2   0     6.1316     6.0000    -0.1316     3.9614     3.6421     0.3193
  3   0     6.1896     6.0000    -0.1896     4.0145     3.6948     0.3197
  4   0     6.1614     6.0000    -0.1614     4.0089     3.6919     0.3170
  5   0     0.9086     1.0000     0.0914     0.9884     0.9385     0.0499
  6   0     0.9113     1.0000     0.0887     0.9867     0.9356     0.0511
  7   0     0.9146     1.0000     0.0854     0.9871     0.9328     0.0543
  8   0     0.9069     1.0000     0.0931     0.9873     0.9331     0.0542
  9   0     0.9160     1.0000     0.0840     0.9845     0.9322     0.0523
 10   0     0.9290     1.0000     0.0710     0.9853     0.9314     0.0539
 11   0     0.9139     1.0000     0.0861     0.9824     0.9297     0.0527
 12   0     0.9185     1.0000     0.0815     0.9820     0.9283     0.0537
 13   0     0.9125     1.0000     0.0875     0.9872     0.9353     0.0519
 14   0     0.9175     1.0000     0.0825     0.9859     0.9341     0.0518
 15   0     6.1516     6.0000    -0.1516     3.9955     3.6664     0.3291
 16   0     6.1837     6.0000    -0.1837     3.9967     3.6662     0.3305
 17   0     6.1641     6.0000    -0.1641     3.9591     3.6350     0.3241
 18   0     6.1741     6.0000    -0.1741     3.9887     3.6661     0.3226
 19   0     6.1968     6.0000    -0.1968     3.9925     3.6646     0.3279
 20   0     0.8994     1.0000     0.1006     0.9830     0.9334     0.0496
 21   0     0.9130     1.0000     0.0870     0.9927     0.9397     0.0530
 22   0     0.8996     1.0000     0.1004     0.9821     0.9307     0.0514
 23   0     0.9195     1.0000     0.0805     0.9889     0.9335     0.0554
 24   0     0.9235     1.0000     0.0765     0.9908     0.9391     0.0517
 25   0     0.9236     1.0000     0.0764     1.0009     0.9488     0.0521
 26   0     0.9164     1.0000     0.0836     0.9884     0.9372     0.0512
 27   0     0.9098     1.0000     0.0902     0.9834     0.9287     0.0547
 28   0     0.9109     1.0000     0.0891     0.9815     0.9289     0.0526
 29   0     0.9130     1.0000     0.0870     0.9832     0.9269     0.0563
 30   0     6.2278     6.0000    -0.2278     4.0439     3.7171     0.3268
 31   0     6.1186     6.0000    -0.1186     3.9797     3.6599     0.3198
 32   0     6.1964     6.0000    -0.1964     4.0269     3.7021     0.3248
 33   0     6.1680     6.0000    -0.1680     3.9991     3.6761     0.3230
 34   0     6.1005     6.0000    -0.1005     3.9338     3.6140     0.3198
 35   0     0.9228     1.0000     0.0772     0.9848     0.9307     0.0541
 36   0     0.9034     1.0000     0.0966     0.9790     0.9263     0.0527
 37   0     0.9190     1.0000     0.0810     0.9848     0.9293     0.0555
 38   0     0.9200     1.0000     0.0800     0.9945     0.9451     0.0494
 39   0     0.9100     1.0000     0.0900     0.9809     0.9273     0.0536
 40   0     0.9132     1.0000     0.0868     0.9842     0.9299     0.0543
 41   0     0.9092     1.0000     0.0908     0.9779     0.9256     0.0523
 42   0     0.9231     1.0000     0.0769     0.9832     0.9303     0.0529
 43   0     0.9139     1.0000     0.0861     0.9908     0.9393     0.0515
 44   0     0.9554     1.0000     0.0446     1.0209     0.9618     0.0591
 45   0     6.1351     6.0000    -0.1351     4.0416     3.7257     0.3159
 46   0     6.1664     6.0000    -0.1664     4.0339     3.7141     0.3198
 47   0     6.1089     6.0000    -0.1089     3.9725     3.6615     0.3110
 48   0     6.2290     6.0000    -0.2290     4.0190     3.6957     0.3233
 49   0     6.1742     6.0000    -0.1742     4.0063     3.6881     0.3182
 50   0     0.9103     1.0000     0.0897     0.9842     0.9346     0.0496
 51   0     0.9232     1.0000     0.0768     0.9906     0.9369     0.0537
 52   0     0.9175     1.0000     0.0825     0.9823     0.9295     0.0528
 53   0     0.9268     1.0000     0.0732     0.9888     0.9359     0.0529
 54   0     0.9276     1.0000     0.0724     0.9917     0.9406     0.0511
 55   0     0.9349     1.0000     0.0651     0.9891     0.9374     0.0517
 56   0     0.9116     1.0000     0.0884     0.9853     0.9335     0.0518
 57   0     0.9015     1.0000     0.0985     0.9737     0.9246     0.0491
 58   0     0.9045     1.0000     0.0955     0.9841     0.9351     0.0490
 59   0     0.9240     1.0000     0.0760     0.9914     0.9406     0.0508
 60   0     6.2003     6.0000    -0.2003     4.0161     3.6926     0.3235
 61   0     6.1525     6.0000    -0.1525     3.9960     3.6797     0.3163
 62   0     6.1901     6.0000    -0.1901     3.9984     3.6784     0.3200
 63   0     6.1613     6.0000    -0.1613     4.0270     3.7099     0.3171
 64   0     6.1186     6.0000    -0.1186     3.9493     3.6248     0.3245
 65   0     0.9099     1.0000     0.0901     0.9852     0.9359     0.0493
 66   0     0.9195     1.0000     0.0805     0.9874     0.9317     0.0557
 67   0     0.9064     1.0000     0.0936     0.9844     0.9350     0.0494
 68   0     0.9267     1.0000     0.0733     0.9864     0.9326     0.0538
 69   0     0.9130     1.0000     0.0870     0.9855     0.9351     0.0504
 70   0     0.9187     1.0000     0.0813     0.9846     0.9307     0.0539
 71   0     0.9211     1.0000     0.0789     0.9848     0.9296     0.0552
 72   0     0.9026     1.0000     0.0974     0.9835     0.9342     0.0493
 73   0     0.9464     1.0000     0.0536     1.0099     0.9547     0.0552
 74   0     0.9187     1.0000     0.0813     0.9899     0.9357     0.0542
 75   0     6.1814     6.0000    -0.1814     4.0173     3.6897     0.3276
 76   0     6.1628     6.0000    -0.1628     3.9678     3.6439     0.3239
 77   0     6.1822     6.0000    -0.1822     4.0369     3.7113     0.3256
 78   0     6.1365     6.0000    -0.1365     4.0195     3.7044     0.3151
 79   0     6.1910     6.0000    -0.1910     3.9947     3.6753     0.3194
 80   0     0.9230     1.0000     0.0770     0.9851     0.9312     0.0539
 81   0     0.8937     1.0000     0.1063     0.9825     0.9328     0.0497
 82   0     0.9387     1.0000     0.0613     0.9973     0.9413     0.0560
 83   0     0.9056     1.0000     0.0944     0.9851     0.9351     0.0500
 84   0     0.9236     1.0000     0.0764     0.9821     0.9281     0.0540
 85   0     0.9102     1.0000     0.0898     0.9832     0.9286     0.0546
 86   0     0.9131     1.0000     0.0869     0.9837     0.9321     0.0516
 87   0     0.9146     1.0000     0.0854     0.9879     0.9367     0.0512
 88   0     0.9087     1.0000     0.0913     0.9842     0.9329     0.0513
 89   0     0.9183     1.0000     0.0817     0.9848     0.9349     0.0499
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.901019
                0             6               4            6                0.914622
                0             6               5            1                0.954822
                0             6               6            1                0.955268
                1             6               2            6                0.893024
                1             6               7            1                0.948381
                1             6               8            1                0.946664
                2             6               3            6                0.906381
                2             6               9            1                0.950064
                2             6              10            1                0.955601
                3             6               4            6                0.910917
                3             6              11            1                0.953048
                3             6              12            1                0.954884
                4             6              13            1                0.948241
                4             6              14            1                0.952880
               15             6              16            6                0.917044
               15             6              19            6                0.898320
               15             6              20            1                0.941797
               15             6              21            1                0.947122
               16             6              17            6                0.882833
               16             6              22            1                0.948523
               16             6              23            1                0.952756
               17             6              18            6                0.894607
               17             6              24            1                0.953888
               17             6              25            1                0.954830
               18             6              19            6                0.909932
               18             6              26            1                0.958143
               18             6              27            1                0.939581
               19             6              28            1                0.956155
               19             6              29            1                0.945911
               30             6              31            6                0.905957
               30             6              34            6                0.912416
               30             6              35            1                0.954005
               30             6              36            1                0.950424
               31             6              32            6                0.916309
               31             6              37            1                0.944183
               31             6              38            1                0.956895
               32             6              33            6                0.912225
               32             6              39            1                0.948203
               32             6              40            1                0.947475
               33             6              34            6                0.879679
               33             6              41            1                0.950314
               33             6              42            1                0.957682
               34             6              43            1                0.950693
               34             6              44            1                0.946614
               45             6              46            6                0.934518
               45             6              49            6                0.925580
               45             6              50            1                0.951771
               45             6              51            1                0.951635
               46             6              47            6                0.897310
               46             6              52            1                0.950457
               46             6              53            1                0.961274
               47             6              48            6                0.907147
               47             6              54            1                0.946441
               47             6              55            1                0.959132
               48             6              49            6                0.889909
               48             6              56            1                0.954076
               48             6              57            1                0.956323
               49             6              58            1                0.954694
               49             6              59            1                0.960185
               60             6              61            6                0.920849
               60             6              64            6                0.890691
               60             6              65            1                0.959107
               60             6              66            1                0.939743
               61             6              62            6                0.892390
               61             6              67            1                0.948930
               61             6              68            1                0.959686
               62             6              63            6                0.918123
               62             6              69            1                0.953715
               62             6              70            1                0.954641
               63             6              64            6                0.909846
               63             6              71            1                0.946187
               63             6              72            1                0.953399
               64             6              73            1                0.947331
               64             6              74            1                0.945080
               75             6              76            6                0.899534
               75             6              79            6                0.897133
               75             6              80            1                0.961935
               75             6              81            1                0.944320
               76             6              77            6                0.904992
               76             6              82            1                0.948961
               76             6              83            1                0.959890
               77             6              78            6                0.931209
               77             6              84            1                0.944256
               77             6              85            1                0.942423
               78             6              79            6                0.913250
               78             6              86            1                0.945808
               78             6              87            1                0.953024
               79             6              88            1                0.948689
               79             6              89            1                0.968459
# -----------------------------------------------------------
$ 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     6.1960     6.0000    -0.1960     4.0020     3.6917     0.3103
  1   0     6.2687     6.0000    -0.2687     3.9839     3.6603     0.3236
  2   0     6.1926     6.0000    -0.1926     3.9528     3.6376     0.3152
  3   0     6.2317     6.0000    -0.2317     3.9858     3.6705     0.3153
  4   0     6.2124     6.0000    -0.2124     3.9946     3.6816     0.3130
  5   0     0.8841     1.0000     0.1159     0.9798     0.9309     0.0489
  6   0     0.8868     1.0000     0.1132     0.9775     0.9274     0.0501
  7   0     0.8868     1.0000     0.1132     0.9768     0.9237     0.0531
  8   0     0.8805     1.0000     0.1195     0.9795     0.9265     0.0530
  9   0     0.8894     1.0000     0.1106     0.9757     0.9245     0.0512
 10   0     0.9026     1.0000     0.0974     0.9772     0.9246     0.0526
 11   0     0.8902     1.0000     0.1098     0.9751     0.9234     0.0517
 12   0     0.8925     1.0000     0.1075     0.9748     0.9222     0.0526
 13   0     0.8888     1.0000     0.1112     0.9787     0.9278     0.0509
 14   0     0.8927     1.0000     0.1073     0.9774     0.9266     0.0508
 15   0     6.2048     6.0000    -0.2048     3.9846     3.6595     0.3251
 16   0     6.2294     6.0000    -0.2294     3.9823     3.6562     0.3261
 17   0     6.2201     6.0000    -0.2201     3.9537     3.6338     0.3199
 18   0     6.2212     6.0000    -0.2212     3.9765     3.6584     0.3181
 19   0     6.2360     6.0000    -0.2360     3.9760     3.6528     0.3232
 20   0     0.8788     1.0000     0.1212     0.9775     0.9288     0.0487
 21   0     0.8898     1.0000     0.1102     0.9836     0.9316     0.0520
 22   0     0.8790     1.0000     0.1210     0.9758     0.9254     0.0504
 23   0     0.8920     1.0000     0.1080     0.9802     0.9260     0.0542
 24   0     0.8962     1.0000     0.1038     0.9810     0.9306     0.0504
 25   0     0.8967     1.0000     0.1033     0.9910     0.9402     0.0508
 26   0     0.8914     1.0000     0.1086     0.9800     0.9299     0.0501
 27   0     0.8870     1.0000     0.1130     0.9768     0.9232     0.0536
 28   0     0.8881     1.0000     0.1119     0.9749     0.9233     0.0516
 29   0     0.8886     1.0000     0.1114     0.9753     0.9201     0.0552
 30   0     6.2697     6.0000    -0.2697     4.0237     3.7015     0.3222
 31   0     6.1733     6.0000    -0.1733     3.9696     3.6543     0.3153
 32   0     6.2369     6.0000    -0.2369     4.0006     3.6805     0.3201
 33   0     6.2288     6.0000    -0.2288     3.9858     3.6670     0.3188
 34   0     6.1548     6.0000    -0.1548     3.9300     3.6145     0.3155
 35   0     0.8957     1.0000     0.1043     0.9780     0.9252     0.0528
 36   0     0.8804     1.0000     0.1196     0.9708     0.9191     0.0517
 37   0     0.8949     1.0000     0.1051     0.9760     0.9215     0.0545
 38   0     0.8977     1.0000     0.1023     0.9941     0.9459     0.0482
 39   0     0.8878     1.0000     0.1122     0.9729     0.9203     0.0526
 40   0     0.8862     1.0000     0.1138     0.9792     0.9262     0.0530
 41   0     0.8861     1.0000     0.1139     0.9704     0.9192     0.0512
 42   0     0.8917     1.0000     0.1083     0.9745     0.9230     0.0515
 43   0     0.8919     1.0000     0.1081     0.9810     0.9306     0.0504
 44   0     0.9221     1.0000     0.0779     1.0181     0.9607     0.0574
 45   0     6.1890     6.0000    -0.1890     4.0201     3.7082     0.3119
 46   0     6.2108     6.0000    -0.2108     3.9958     3.6801     0.3157
 47   0     6.1874     6.0000    -0.1874     3.9589     3.6520     0.3069
 48   0     6.2813     6.0000    -0.2813     4.0058     3.6869     0.3189
 49   0     6.2318     6.0000    -0.2318     3.9889     3.6744     0.3145
 50   0     0.8874     1.0000     0.1126     0.9793     0.9307     0.0486
 51   0     0.8970     1.0000     0.1030     0.9818     0.9292     0.0526
 52   0     0.8940     1.0000     0.1060     0.9774     0.9257     0.0517
 53   0     0.8986     1.0000     0.1014     0.9829     0.9313     0.0516
 54   0     0.8883     1.0000     0.1117     0.9804     0.9310     0.0494
 55   0     0.9035     1.0000     0.0965     0.9797     0.9295     0.0502
 56   0     0.8826     1.0000     0.1174     0.9782     0.9279     0.0503
 57   0     0.8739     1.0000     0.1261     0.9670     0.9192     0.0478
 58   0     0.8791     1.0000     0.1209     0.9767     0.9288     0.0479
 59   0     0.8938     1.0000     0.1062     0.9802     0.9306     0.0496
 60   0     6.2417     6.0000    -0.2417     3.9946     3.6756     0.3190
 61   0     6.2036     6.0000    -0.2036     3.9775     3.6653     0.3122
 62   0     6.2370     6.0000    -0.2370     3.9773     3.6613     0.3160
 63   0     6.2100     6.0000    -0.2100     4.0120     3.6993     0.3127
 64   0     6.1827     6.0000    -0.1827     3.9517     3.6316     0.3201
 65   0     0.8856     1.0000     0.1144     0.9776     0.9294     0.0482
 66   0     0.8946     1.0000     0.1054     0.9799     0.9254     0.0545
 67   0     0.8844     1.0000     0.1156     0.9782     0.9298     0.0484
 68   0     0.8994     1.0000     0.1006     0.9774     0.9247     0.0527
 69   0     0.8887     1.0000     0.1113     0.9777     0.9284     0.0493
 70   0     0.8929     1.0000     0.1071     0.9761     0.9233     0.0528
 71   0     0.8951     1.0000     0.1049     0.9764     0.9223     0.0541
 72   0     0.8809     1.0000     0.1191     0.9773     0.9290     0.0483
 73   0     0.9166     1.0000     0.0834     1.0016     0.9478     0.0538
 74   0     0.8920     1.0000     0.1080     0.9814     0.9284     0.0530
 75   0     6.2252     6.0000    -0.2252     4.0004     3.6769     0.3235
 76   0     6.2241     6.0000    -0.2241     3.9681     3.6485     0.3196
 77   0     6.2283     6.0000    -0.2283     4.0276     3.7066     0.3210
 78   0     6.1896     6.0000    -0.1896     4.0082     3.6971     0.3111
 79   0     6.2375     6.0000    -0.2375     3.9754     3.6599     0.3155
 80   0     0.8986     1.0000     0.1014     0.9763     0.9234     0.0529
 81   0     0.8735     1.0000     0.1265     0.9759     0.9272     0.0487
 82   0     0.9074     1.0000     0.0926     0.9852     0.9307     0.0545
 83   0     0.8796     1.0000     0.1204     0.9742     0.9254     0.0488
 84   0     0.8974     1.0000     0.1026     0.9767     0.9240     0.0527
 85   0     0.8885     1.0000     0.1115     0.9753     0.9217     0.0536
 86   0     0.8888     1.0000     0.1112     0.9761     0.9255     0.0506
 87   0     0.8885     1.0000     0.1115     0.9778     0.9276     0.0502
 88   0     0.8852     1.0000     0.1148     0.9768     0.9266     0.0502
 89   0     0.8915     1.0000     0.1085     0.9745     0.9257     0.0488
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.912735
                0             6               4            6                0.924808
                0             6               5            1                0.943054
                0             6               6            1                0.941986
                1             6               2            6                0.905772
                1             6               7            1                0.933968
                1             6               8            1                0.932095
                2             6               3            6                0.913340
                2             6               9            1                0.938164
                2             6              10            1                0.939640
                3             6               4            6                0.916793
                3             6              11            1                0.936787
                3             6              12            1                0.942345
                4             6              13            1                0.935226
                4             6              14            1                0.940887
               15             6              16            6                0.924279
               15             6              19            6                0.903911
               15             6              20            1                0.934270
               15             6              21            1                0.933251
               16             6              17            6                0.897524
               16             6              22            1                0.935310
               16             6              23            1                0.938621
               17             6              18            6                0.898814
               17             6              24            1                0.942932
               17             6              25            1                0.941893
               18             6              19            6                0.928827
               18             6              26            1                0.945205
               18             6              27            1                0.924409
               19             6              28            1                0.942576
               19             6              29            1                0.928806
               30             6              31            6                0.916492
               30             6              34            6                0.923657
               30             6              35            1                0.939258
               30             6              36            1                0.934045
               31             6              32            6                0.924174
               31             6              37            1                0.926183
               31             6              38            1                0.948873
               32             6              33            6                0.916825
               32             6              39            1                0.930615
               32             6              40            1                0.935404
               33             6              34            6                0.893778
               33             6              41            1                0.936144
               33             6              42            1                0.946246
               34             6              43            1                0.933916
               34             6              44            1                0.931875
               45             6              46            6                0.936330
               45             6              49            6                0.934936
               45             6              50            1                0.941411
               45             6              51            1                0.936069
               46             6              47            6                0.904184
               46             6              52            1                0.934456
               46             6              53            1                0.949740
               47             6              48            6                0.914473
               47             6              54            1                0.932590
               47             6              55            1                0.946776
               48             6              49            6                0.892667
               48             6              56            1                0.941026
               48             6              57            1                0.944484
               49             6              58            1                0.941699
               49             6              59            1                0.946403
               60             6              61            6                0.929301
               60             6              64            6                0.899797
               60             6              65            1                0.947270
               60             6              66            1                0.926463
               61             6              62            6                0.898706
               61             6              67            1                0.937034
               61             6              68            1                0.945614
               62             6              63            6                0.926401
               62             6              69            1                0.940689
               62             6              70            1                0.940573
               63             6              64            6                0.924674
               63             6              71            1                0.930086
               63             6              72            1                0.942301
               64             6              73            1                0.933448
               64             6              74            1                0.930132
               75             6              76            6                0.910702
               75             6              79            6                0.902686
               75             6              80            1                0.947149
               75             6              81            1                0.932432
               76             6              77            6                0.917461
               76             6              82            1                0.930762
               76             6              83            1                0.946672
               77             6              78            6                0.943795
               77             6              84            1                0.930443
               77             6              85            1                0.928491
               78             6              79            6                0.921319
               78             6              86            1                0.932197
               78             6              87            1                0.937904
               79             6              88            1                0.936054
               79             6              89            1                0.955528
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2050881564
        Correlation Energy:       -5.0677550797
        Total MP2 Energy:      -1176.2728432360
# -----------------------------------------------------------
$ 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) :        0.0637185723
        Electronic Contribution:
                  0    
      0      -0.020082
      1      -0.103368
      2       0.449826
        Nuclear Contribution:
                  0    
      0       0.040167
      1       0.088367
      2      -0.449870
        Total Dipole moment:
                  0    
      0       0.020085
      1      -0.015001
      2      -0.000044
# -----------------------------------------------------------
$ 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) :        0.0635988215
        Electronic Contribution:
                  0    
      0      -0.020650
      1      -0.103988
      2       0.448802
        Nuclear Contribution:
                  0    
      0       0.040167
      1       0.088367
      2      -0.449870
        Total Dipole moment:
                  0    
      0       0.019517
      1      -0.015621
      2      -0.001068
# -----------------------------------------------------------
$ 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) :        0.0738285002
        Electronic Contribution:
                  0    
      0      -0.026141
      1      -0.109535
      2       0.435769
        Nuclear Contribution:
                  0    
      0       0.040167
      1       0.088367
      2      -0.449870
        Total Dipole moment:
                  0    
      0       0.014026
      1      -0.021168
      2      -0.014101
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     15.050000000000   14.290000000000   16.040000000000
               1 C     16.370000000000   14.960000000000   15.570000000000
               2 C     16.450000000000   14.680000000000   14.060000000000
               3 C     15.250000000000   13.870000000000   13.610000000000
               4 C     14.330000000000   13.680000000000   14.810000000000
               5 H     14.400000000000   14.960000000000   16.550000000000
               6 H     15.280000000000   13.510000000000   16.750000000000
               7 H     17.310000000000   14.580000000000   16.040000000000
               8 H     16.510000000000   16.050000000000   15.750000000000
               9 H     17.360000000000   14.160000000000   13.760000000000
              10 H     16.440000000000   15.590000000000   13.450000000000
              11 H     15.570000000000   12.900000000000   13.180000000000
              12 H     14.710000000000   14.410000000000   12.790000000000
              13 H     14.070000000000   12.620000000000   14.960000000000
              14 H     13.410000000000   14.220000000000   14.590000000000
              15 C     25.800000000000   20.580000000000   17.980000000000
              16 C     25.210000000000   19.160000000000   18.430000000000
              17 C     23.690000000000   19.330000000000   18.760000000000
              18 C     23.470000000000   20.870000000000   18.980000000000
              19 C     24.760000000000   21.560000000000   18.680000000000
              20 H     25.820000000000   20.720000000000   16.910000000000
              21 H     26.740000000000   20.820000000000   18.520000000000
              22 H     25.770000000000   18.700000000000   19.250000000000
              23 H     25.180000000000   18.420000000000   17.580000000000
              24 H     23.400000000000   18.830000000000   19.670000000000
              25 H     23.070000000000   18.940000000000   17.990000000000
              26 H     23.210000000000   20.980000000000   20.020000000000
              27 H     22.600000000000   21.270000000000   18.360000000000
              28 H     25.180000000000   21.950000000000   19.620000000000
              29 H     24.780000000000   22.410000000000   17.910000000000
              30 C     19.590000000000   18.380000000000   20.330000000000
              31 C     18.270000000000   17.540000000000   20.280000000000
              32 C     17.570000000000   17.790000000000   18.950000000000
              33 C     18.500000000000   18.680000000000   18.160000000000
              34 C     19.850000000000   18.900000000000   18.930000000000
              35 H     20.430000000000   17.780000000000   20.680000000000
              36 H     19.560000000000   19.140000000000   21.140000000000
              37 H     17.600000000000   17.970000000000   21.100000000000
              38 H     18.370000000000   16.520000000000   20.390000000000
              39 H     16.630000000000   18.400000000000   19.000000000000
              40 H     17.350000000000   16.820000000000   18.390000000000
              41 H     18.000000000000   19.620000000000   17.870000000000
              42 H     18.720000000000   18.230000000000   17.230000000000
              43 H     20.110000000000   19.950000000000   19.010000000000
              44 H     20.730000000000   18.400000000000   18.430000000000
              45 C     22.280000000000   14.500000000000   15.760000000000
              46 C     20.900000000000   14.440000000000   16.470000000000
              47 C     20.700000000000   15.680000000000   17.250000000000
              48 C     21.910000000000   16.520000000000   17.210000000000
              49 C     23.000000000000   15.650000000000   16.430000000000
              50 H     22.120000000000   14.600000000000   14.710000000000
              51 H     22.840000000000   13.570000000000   16.030000000000
              52 H     20.880000000000   13.530000000000   17.090000000000
              53 H     20.130000000000   14.400000000000   15.690000000000
              54 H     20.300000000000   15.510000000000   18.230000000000
              55 H     19.930000000000   16.160000000000   16.710000000000
              56 H     22.220000000000   16.700000000000   18.220000000000
              57 H     21.730000000000   17.430000000000   16.690000000000
              58 H     23.840000000000   15.350000000000   16.970000000000
              59 H     23.480000000000   16.260000000000   15.730000000000
              60 C     19.120000000000   18.620000000000   13.690000000000
              61 C     19.280000000000   19.220000000000   12.310000000000
              62 C     17.870000000000   19.580000000000   11.820000000000
              63 C     16.890000000000   19.220000000000   12.940000000000
              64 C     17.600000000000   18.290000000000   13.910000000000
              65 H     19.430000000000   19.360000000000   14.360000000000
              66 H     19.840000000000   17.730000000000   13.740000000000
              67 H     19.830000000000   18.630000000000   11.610000000000
              68 H     19.720000000000   20.230000000000   12.380000000000
              69 H     17.610000000000   19.090000000000   10.910000000000
              70 H     17.890000000000   20.670000000000   11.560000000000
              71 H     16.030000000000   18.640000000000   12.480000000000
              72 H     16.490000000000   20.070000000000   13.440000000000
              73 H     17.470000000000   17.200000000000   13.780000000000
              74 H     17.300000000000   18.560000000000   14.960000000000
              75 C     19.840000000000   13.480000000000   22.300000000000
              76 C     20.050000000000   14.330000000000   21.010000000000
              77 C     21.580000000000   14.500000000000   20.800000000000
              78 C     22.280000000000   14.320000000000   22.140000000000
              79 C     21.290000000000   13.480000000000   22.940000000000
              80 H     19.660000000000   12.420000000000   21.980000000000
              81 H     19.090000000000   13.730000000000   23.030000000000
              82 H     19.520000000000   15.290000000000   21.140000000000
              83 H     19.550000000000   13.920000000000   20.170000000000
              84 H     21.810000000000   15.510000000000   20.440000000000
              85 H     21.890000000000   13.730000000000   20.010000000000
              86 H     22.540000000000   15.210000000000   22.720000000000
              87 H     23.230000000000   13.810000000000   22.020000000000
              88 H     21.380000000000   13.650000000000   24.010000000000
              89 H     21.490000000000   12.480000000000   22.840000000000
