-------------------------------------------------------------
----------------------- !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:    -1171.1863825028
# -----------------------------------------------------------
$ Mayer_Pop
   description: The Mayer population analysis
   geom. index: 1
   prop. index: 1
     Number of atoms                     : 90
     Threshold for printing              : 0.1000000
     Number of bond orders printed       : 90
  NA   - Mulliken gross atomic population
  ZA   - Total nuclear charge
  QA   - Mulliken gross atomic charge
  VA   - Mayer's total valence
  BVA  - Mayer's bonded valence
  FA   - Mayer's free valence
  ATOM       NA         ZA         QA         VA         BVA        FA
  0   0     6.1847     6.0000    -0.1847     3.8960     3.8960    -0.0000
  1   0     6.1485     6.0000    -0.1485     3.9346     3.9346    -0.0000
  2   0     6.1224     6.0000    -0.1224     3.8643     3.8643     0.0000
  3   0     6.2249     6.0000    -0.2249     3.8988     3.8988     0.0000
  4   0     6.1591     6.0000    -0.1591     3.8960     3.8960    -0.0000
  5   0     0.9150     1.0000     0.0850     0.9735     0.9735    -0.0000
  6   0     0.9019     1.0000     0.0981     0.9713     0.9713    -0.0000
  7   0     0.9374     1.0000     0.0626     0.9897     0.9897     0.0000
  8   0     0.9128     1.0000     0.0872     0.9746     0.9746    -0.0000
  9   0     0.9153     1.0000     0.0847     0.9693     0.9693     0.0000
 10   0     0.9268     1.0000     0.0732     0.9769     0.9769    -0.0000
 11   0     0.8989     1.0000     0.1011     0.9779     0.9779     0.0000
 12   0     0.9254     1.0000     0.0746     0.9704     0.9704     0.0000
 13   0     0.9086     1.0000     0.0914     0.9703     0.9703    -0.0000
 14   0     0.9100     1.0000     0.0900     0.9680     0.9680    -0.0000
 15   0     6.1979     6.0000    -0.1979     3.9166     3.9166    -0.0000
 16   0     6.1402     6.0000    -0.1402     3.8575     3.8575    -0.0000
 17   0     6.1807     6.0000    -0.1807     3.9080     3.9080    -0.0000
 18   0     6.1288     6.0000    -0.1288     3.8747     3.8747     0.0000
 19   0     6.1625     6.0000    -0.1625     3.8906     3.8906     0.0000
 20   0     0.9052     1.0000     0.0948     0.9702     0.9702    -0.0000
 21   0     0.9122     1.0000     0.0878     0.9772     0.9772    -0.0000
 22   0     0.9026     1.0000     0.0974     0.9708     0.9708     0.0000
 23   0     0.9193     1.0000     0.0807     0.9824     0.9824    -0.0000
 24   0     0.9116     1.0000     0.0884     0.9691     0.9691    -0.0000
 25   0     0.9185     1.0000     0.0815     0.9713     0.9713    -0.0000
 26   0     0.9674     1.0000     0.0326     1.0145     1.0145     0.0000
 27   0     0.9228     1.0000     0.0772     0.9747     0.9747     0.0000
 28   0     0.9017     1.0000     0.0983     0.9696     0.9696     0.0000
 29   0     0.9248     1.0000     0.0752     0.9801     0.9801    -0.0000
 30   0     6.0484     6.0000    -0.0484     3.8101     3.8101     0.0000
 31   0     6.1439     6.0000    -0.1439     3.9092     3.9092    -0.0000
 32   0     6.1887     6.0000    -0.1887     3.9259     3.9259    -0.0000
 33   0     6.1139     6.0000    -0.1139     3.8752     3.8752    -0.0000
 34   0     6.2410     6.0000    -0.2410     3.9021     3.9021     0.0000
 35   0     0.9741     1.0000     0.0259     1.0254     1.0254     0.0000
 36   0     0.9322     1.0000     0.0678     0.9801     0.9801     0.0000
 37   0     0.9273     1.0000     0.0727     0.9717     0.9717     0.0000
 38   0     0.9260     1.0000     0.0740     0.9760     0.9760     0.0000
 39   0     0.9220     1.0000     0.0780     0.9796     0.9796     0.0000
 40   0     0.9149     1.0000     0.0851     0.9736     0.9736    -0.0000
 41   0     0.9098     1.0000     0.0902     0.9743     0.9743     0.0000
 42   0     0.9256     1.0000     0.0744     0.9789     0.9789    -0.0000
 43   0     0.9121     1.0000     0.0879     0.9778     0.9778     0.0000
 44   0     0.9277     1.0000     0.0723     0.9691     0.9691    -0.0000
 45   0     6.0756     6.0000    -0.0756     3.8557     3.8557    -0.0000
 46   0     6.2306     6.0000    -0.2306     3.8887     3.8887     0.0000
 47   0     6.1611     6.0000    -0.1611     3.8862     3.8862     0.0000
 48   0     6.1334     6.0000    -0.1334     3.8841     3.8841    -0.0000
 49   0     6.2003     6.0000    -0.2003     3.9233     3.9233    -0.0000
 50   0     0.9261     1.0000     0.0739     0.9913     0.9913    -0.0000
 51   0     0.9304     1.0000     0.0696     0.9921     0.9921    -0.0000
 52   0     0.9099     1.0000     0.0901     0.9726     0.9726     0.0000
 53   0     0.9201     1.0000     0.0799     0.9737     0.9737     0.0000
 54   0     0.9210     1.0000     0.0790     0.9722     0.9722     0.0000
 55   0     0.9201     1.0000     0.0799     0.9743     0.9743    -0.0000
 56   0     0.9221     1.0000     0.0779     0.9786     0.9786    -0.0000
 57   0     0.9217     1.0000     0.0783     0.9750     0.9750    -0.0000
 58   0     0.9080     1.0000     0.0920     0.9719     0.9719    -0.0000
 59   0     0.9203     1.0000     0.0797     0.9769     0.9769    -0.0000
 60   0     6.1910     6.0000    -0.1910     3.8809     3.8809    -0.0000
 61   0     6.1896     6.0000    -0.1896     3.8827     3.8827     0.0000
 62   0     6.1152     6.0000    -0.1152     3.8900     3.8900     0.0000
 63   0     6.2053     6.0000    -0.2053     3.9041     3.9041     0.0000
 64   0     6.1451     6.0000    -0.1451     3.8599     3.8599    -0.0000
 65   0     0.9267     1.0000     0.0733     0.9773     0.9773    -0.0000
 66   0     0.9030     1.0000     0.0970     0.9736     0.9736    -0.0000
 67   0     0.9267     1.0000     0.0733     0.9778     0.9778    -0.0000
 68   0     0.9044     1.0000     0.0956     0.9706     0.9706     0.0000
 69   0     0.9085     1.0000     0.0915     0.9781     0.9781     0.0000
 70   0     0.9197     1.0000     0.0803     0.9794     0.9794     0.0000
 71   0     0.9172     1.0000     0.0828     0.9718     0.9718     0.0000
 72   0     0.9159     1.0000     0.0841     0.9778     0.9778    -0.0000
 73   0     0.9317     1.0000     0.0683     0.9758     0.9758    -0.0000
 74   0     0.8997     1.0000     0.1003     0.9712     0.9712    -0.0000
 75   0     6.1944     6.0000    -0.1944     3.8724     3.8724    -0.0000
 76   0     6.1538     6.0000    -0.1538     3.9024     3.9024    -0.0000
 77   0     6.1545     6.0000    -0.1545     3.9049     3.9049    -0.0000
 78   0     6.1112     6.0000    -0.1112     3.8874     3.8874     0.0000
 79   0     6.1622     6.0000    -0.1622     3.9078     3.9078    -0.0000
 80   0     0.9307     1.0000     0.0693     0.9708     0.9708    -0.0000
 81   0     0.9104     1.0000     0.0896     0.9705     0.9705    -0.0000
 82   0     0.9203     1.0000     0.0797     0.9749     0.9749    -0.0000
 83   0     0.9225     1.0000     0.0775     0.9726     0.9726    -0.0000
 84   0     0.9271     1.0000     0.0729     0.9763     0.9763    -0.0000
 85   0     0.9103     1.0000     0.0897     0.9753     0.9753    -0.0000
 86   0     0.9158     1.0000     0.0842     0.9763     0.9763     0.0000
 87   0     0.9579     1.0000     0.0421     1.0018     1.0018     0.0000
 88   0     0.9132     1.0000     0.0868     0.9802     0.9802    -0.0000
 89   0     0.9198     1.0000     0.0802     0.9761     0.9761    -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                0.981787
                0             6               4            6                0.973308
                0             6               5            1                0.990696
                0             6               6            1                0.987436
                1             6               2            6                0.983509
                1             6               7            1                0.994176
                1             6               8            1                0.987168
                2             6               3            6                0.961864
                2             6               9            1                0.980486
                2             6              10            1                0.994394
                3             6               4            6                0.974535
                3             6              11            1                0.984713
                3             6              12            1                0.997256
                4             6              13            1                0.987129
                4             6              14            1                0.987025
               15             6              16            6                0.976882
               15             6              19            6                0.973585
               15             6              20            1                0.994814
               15             6              21            1                0.988834
               16             6              17            6                0.961413
               16             6              22            1                0.982566
               16             6              23            1                1.001183
               17             6              18            6                0.973132
               17             6              24            1                0.992809
               17             6              25            1                0.994919
               18             6              19            6                0.969276
               18             6              26            1                0.999004
               18             6              27            1                0.987650
               19             6              28            1                0.995308
               19             6              29            1                0.991296
               30             6              31            6                0.962297
               30             6              34            6                0.942479
               30             6              35            1                1.001231
               30             6              36            1                0.988794
               31             6              32            6                0.973782
               31             6              37            1                0.992522
               31             6              38            1                0.998882
               32             6              33            6                0.980295
               32             6              39            1                0.992823
               32             6              40            1                0.991203
               33             6              34            6                0.959728
               33             6              41            1                0.988908
               33             6              42            1                0.998729
               34             6              43            1                0.994590
               34             6              44            1                0.997462
               45             6              46            6                0.958686
               45             6              49            6                0.963778
               45             6              50            1                0.991282
               45             6              51            1                0.992417
               46             6              47            6                0.960542
               46             6              52            1                0.991628
               46             6              53            1                0.996906
               47             6              48            6                0.974114
               47             6              54            1                0.993230
               47             6              55            1                0.995999
               48             6              49            6                0.971191
               48             6              56            1                0.992527
               48             6              57            1                0.996757
               49             6              58            1                0.992259
               49             6              59            1                0.999895
               60             6              61            6                0.954344
               60             6              64            6                0.956995
               60             6              65            1                0.995982
               60             6              66            1                0.996308
               61             6              62            6                0.969369
               61             6              67            1                1.002874
               61             6              68            1                0.986990
               62             6              63            6                0.974365
               62             6              69            1                0.987970
               62             6              70            1                0.989690
               63             6              64            6                0.967277
               63             6              71            1                0.993918
               63             6              72            1                0.992431
               64             6              73            1                0.999354
               64             6              74            1                0.982574
               75             6              76            6                0.965693
               75             6              79            6                0.970681
               75             6              80            1                0.997283
               75             6              81            1                0.991075
               76             6              77            6                0.981098
               76             6              82            1                0.988578
               76             6              83            1                0.997676
               77             6              78            6                0.960913
               77             6              84            1                0.990994
               77             6              85            1                0.989108
               78             6              79            6                0.974399
               78             6              86            1                0.990718
               78             6              87            1                1.013392
               79             6              88            1                0.984543
               79             6              89            1                0.995070
# -----------------------------------------------------------
$ 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     6.1923     6.0000    -0.1923     4.0072     3.6850     0.3222
  1   0     6.1560     6.0000    -0.1560     4.0399     3.7218     0.3181
  2   0     6.1310     6.0000    -0.1310     3.9740     3.6561     0.3179
  3   0     6.2324     6.0000    -0.2324     4.0133     3.6855     0.3278
  4   0     6.1675     6.0000    -0.1675     4.0067     3.6814     0.3253
  5   0     0.9111     1.0000     0.0889     0.9829     0.9304     0.0525
  6   0     0.8981     1.0000     0.1019     0.9802     0.9293     0.0509
  7   0     0.9337     1.0000     0.0663     0.9998     0.9470     0.0528
  8   0     0.9090     1.0000     0.0910     0.9837     0.9318     0.0519
  9   0     0.9113     1.0000     0.0887     0.9787     0.9264     0.0523
 10   0     0.9223     1.0000     0.0777     0.9863     0.9357     0.0506
 11   0     0.8951     1.0000     0.1049     0.9866     0.9339     0.0527
 12   0     0.9215     1.0000     0.0785     0.9802     0.9268     0.0534
 13   0     0.9048     1.0000     0.0952     0.9793     0.9238     0.0555
 14   0     0.9059     1.0000     0.0941     0.9770     0.9230     0.0540
 15   0     6.2051     6.0000    -0.2051     4.0264     3.7071     0.3193
 16   0     6.1486     6.0000    -0.1486     3.9692     3.6485     0.3207
 17   0     6.1897     6.0000    -0.1897     4.0226     3.6887     0.3339
 18   0     6.1364     6.0000    -0.1364     3.9838     3.6598     0.3240
 19   0     6.1702     6.0000    -0.1702     4.0009     3.6732     0.3277
 20   0     0.9012     1.0000     0.0988     0.9789     0.9279     0.0510
 21   0     0.9085     1.0000     0.0915     0.9865     0.9340     0.0525
 22   0     0.8984     1.0000     0.1016     0.9795     0.9273     0.0522
 23   0     0.9155     1.0000     0.0845     0.9917     0.9399     0.0518
 24   0     0.9074     1.0000     0.0926     0.9783     0.9235     0.0548
 25   0     0.9145     1.0000     0.0855     0.9808     0.9257     0.0551
 26   0     0.9631     1.0000     0.0369     1.0251     0.9691     0.0560
 27   0     0.9190     1.0000     0.0810     0.9848     0.9317     0.0531
 28   0     0.8979     1.0000     0.1021     0.9785     0.9237     0.0548
 29   0     0.9209     1.0000     0.0791     0.9896     0.9336     0.0560
 30   0     6.0555     6.0000    -0.0555     3.9121     3.5997     0.3124
 31   0     6.1518     6.0000    -0.1518     4.0137     3.7077     0.3060
 32   0     6.1966     6.0000    -0.1966     4.0345     3.7137     0.3208
 33   0     6.1212     6.0000    -0.1212     3.9801     3.6677     0.3124
 34   0     6.2488     6.0000    -0.2488     4.0161     3.6898     0.3263
 35   0     0.9710     1.0000     0.0290     1.0374     0.9815     0.0559
 36   0     0.9279     1.0000     0.0721     0.9899     0.9358     0.0541
 37   0     0.9234     1.0000     0.0766     0.9816     0.9288     0.0528
 38   0     0.9220     1.0000     0.0780     0.9853     0.9378     0.0475
 39   0     0.9182     1.0000     0.0818     0.9891     0.9362     0.0529
 40   0     0.9111     1.0000     0.0889     0.9829     0.9314     0.0515
 41   0     0.9061     1.0000     0.0939     0.9837     0.9329     0.0508
 42   0     0.9218     1.0000     0.0782     0.9885     0.9372     0.0513
 43   0     0.9085     1.0000     0.0915     0.9870     0.9371     0.0499
 44   0     0.9238     1.0000     0.0762     0.9790     0.9231     0.0559
 45   0     6.0830     6.0000    -0.0830     3.9612     3.6408     0.3204
 46   0     6.2372     6.0000    -0.2372     4.0006     3.6794     0.3212
 47   0     6.1694     6.0000    -0.1694     3.9958     3.6747     0.3211
 48   0     6.1406     6.0000    -0.1406     3.9887     3.6767     0.3120
 49   0     6.2085     6.0000    -0.2085     4.0347     3.7127     0.3220
 50   0     0.9220     1.0000     0.0780     1.0007     0.9490     0.0517
 51   0     0.9269     1.0000     0.0731     1.0027     0.9495     0.0532
 52   0     0.9061     1.0000     0.0939     0.9817     0.9299     0.0518
 53   0     0.9165     1.0000     0.0835     0.9836     0.9339     0.0497
 54   0     0.9173     1.0000     0.0827     0.9818     0.9267     0.0551
 55   0     0.9163     1.0000     0.0837     0.9838     0.9313     0.0525
 56   0     0.9183     1.0000     0.0817     0.9882     0.9356     0.0526
 57   0     0.9178     1.0000     0.0822     0.9846     0.9333     0.0513
 58   0     0.9043     1.0000     0.0957     0.9811     0.9290     0.0521
 59   0     0.9165     1.0000     0.0835     0.9863     0.9353     0.0510
 60   0     6.1983     6.0000    -0.1983     3.9920     3.6680     0.3240
 61   0     6.1968     6.0000    -0.1968     3.9945     3.6720     0.3225
 62   0     6.1231     6.0000    -0.1231     3.9963     3.6764     0.3199
 63   0     6.2126     6.0000    -0.2126     4.0159     3.6877     0.3282
 64   0     6.1527     6.0000    -0.1527     3.9688     3.6454     0.3234
 65   0     0.9230     1.0000     0.0770     0.9874     0.9339     0.0535
 66   0     0.8994     1.0000     0.1006     0.9827     0.9320     0.0507
 67   0     0.9231     1.0000     0.0769     0.9880     0.9347     0.0533
 68   0     0.9006     1.0000     0.0994     0.9797     0.9275     0.0522
 69   0     0.9047     1.0000     0.0953     0.9868     0.9376     0.0492
 70   0     0.9160     1.0000     0.0840     0.9890     0.9375     0.0515
 71   0     0.9135     1.0000     0.0865     0.9815     0.9284     0.0531
 72   0     0.9122     1.0000     0.0878     0.9874     0.9358     0.0516
 73   0     0.9279     1.0000     0.0721     0.9859     0.9310     0.0549
 74   0     0.8961     1.0000     0.1039     0.9801     0.9300     0.0501
 75   0     6.2022     6.0000    -0.2022     3.9849     3.6607     0.3242
 76   0     6.1614     6.0000    -0.1614     4.0089     3.6931     0.3158
 77   0     6.1619     6.0000    -0.1619     4.0120     3.6964     0.3156
 78   0     6.1189     6.0000    -0.1189     3.9941     3.6765     0.3176
 79   0     6.1696     6.0000    -0.1696     4.0155     3.6967     0.3188
 80   0     0.9268     1.0000     0.0732     0.9808     0.9245     0.0563
 81   0     0.9067     1.0000     0.0933     0.9798     0.9276     0.0522
 82   0     0.9165     1.0000     0.0835     0.9844     0.9310     0.0534
 83   0     0.9187     1.0000     0.0813     0.9823     0.9295     0.0528
 84   0     0.9232     1.0000     0.0768     0.9860     0.9319     0.0541
 85   0     0.9064     1.0000     0.0936     0.9846     0.9357     0.0489
 86   0     0.9116     1.0000     0.0884     0.9854     0.9355     0.0499
 87   0     0.9542     1.0000     0.0458     1.0129     0.9587     0.0542
 88   0     0.9094     1.0000     0.0906     0.9893     0.9378     0.0515
 89   0     0.9160     1.0000     0.0840     0.9855     0.9346     0.0509
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.916758
                0             6               4            6                0.913250
                0             6               5            1                0.948792
                0             6               6            1                0.946797
                1             6               2            6                0.922157
                1             6               7            1                0.952868
                1             6               8            1                0.945945
                2             6               3            6                0.899215
                2             6               9            1                0.939209
                2             6              10            1                0.954335
                3             6               4            6                0.912362
                3             6              11            1                0.942571
                3             6              12            1                0.954715
                4             6              13            1                0.942143
                4             6              14            1                0.943499
               15             6              16            6                0.916631
               15             6              19            6                0.910938
               15             6              20            1                0.953669
               15             6              21            1                0.947007
               16             6              17            6                0.898757
               16             6              22            1                0.940477
               16             6              23            1                0.959568
               17             6              18            6                0.908677
               17             6              24            1                0.948247
               17             6              25            1                0.950220
               18             6              19            6                0.907541
               18             6              26            1                0.955112
               18             6              27            1                0.945821
               19             6              28            1                0.950796
               19             6              29            1                0.946108
               30             6              31            6                0.904488
               30             6              34            6                0.878485
               30             6              35            1                0.958380
               30             6              36            1                0.945462
               31             6              32            6                0.912015
               31             6              37            1                0.950991
               31             6              38            1                0.961757
               32             6              33            6                0.916878
               32             6              39            1                0.950723
               32             6              40            1                0.950290
               33             6              34            6                0.899443
               33             6              41            1                0.948856
               33             6              42            1                0.957865
               34             6              43            1                0.955343
               34             6              44            1                0.952708
               45             6              46            6                0.894104
               45             6              49            6                0.899720
               45             6              50            1                0.950000
               45             6              51            1                0.950690
               46             6              47            6                0.899285
               46             6              52            1                0.950075
               46             6              53            1                0.958097
               47             6              48            6                0.912736
               47             6              54            1                0.949014
               47             6              55            1                0.954159
               48             6              49            6                0.910367
               48             6              56            1                0.950840
               48             6              57            1                0.956136
               49             6              58            1                0.950726
               49             6              59            1                0.959417
               60             6              61            6                0.892827
               60             6              64            6                0.892089
               60             6              65            1                0.953725
               60             6              66            1                0.955938
               61             6              62            6                0.907190
               61             6              67            1                0.960596
               61             6              68            1                0.945439
               62             6              63            6                0.906568
               62             6              69            1                0.948963
               62             6              70            1                0.949040
               63             6              64            6                0.904363
               63             6              71            1                0.951634
               63             6              72            1                0.951787
               64             6              73            1                0.955365
               64             6              74            1                0.943000
               75             6              76            6                0.905615
               75             6              79            6                0.908214
               75             6              80            1                0.952138
               75             6              81            1                0.949590
               76             6              77            6                0.919676
               76             6              82            1                0.946181
               76             6              83            1                0.955627
               77             6              78            6                0.899384
               77             6              84            1                0.947749
               77             6              85            1                0.950905
               78             6              79            6                0.910585
               78             6              86            1                0.950977
               78             6              87            1                0.970708
               79             6              88            1                0.943886
               79             6              89            1                0.954734
# -----------------------------------------------------------
$ 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     6.2421     6.0000    -0.2421     3.9975     3.6794     0.3181
  1   0     6.2078     6.0000    -0.2078     4.0129     3.6988     0.3141
  2   0     6.1909     6.0000    -0.1909     3.9692     3.6554     0.3138
  3   0     6.2735     6.0000    -0.2735     3.9928     3.6695     0.3233
  4   0     6.2122     6.0000    -0.2122     4.0026     3.6819     0.3207
  5   0     0.8868     1.0000     0.1132     0.9726     0.9211     0.0515
  6   0     0.8741     1.0000     0.1259     0.9731     0.9233     0.0498
  7   0     0.9017     1.0000     0.0983     0.9916     0.9401     0.0515
  8   0     0.8872     1.0000     0.1128     0.9772     0.9262     0.0510
  9   0     0.8887     1.0000     0.1113     0.9754     0.9242     0.0512
 10   0     0.8972     1.0000     0.1028     0.9784     0.9290     0.0494
 11   0     0.8692     1.0000     0.1308     0.9765     0.9251     0.0514
 12   0     0.8945     1.0000     0.1055     0.9702     0.9179     0.0523
 13   0     0.8800     1.0000     0.1200     0.9728     0.9185     0.0543
 14   0     0.8866     1.0000     0.1134     0.9703     0.9173     0.0530
 15   0     6.2519     6.0000    -0.2519     4.0197     3.7049     0.3148
 16   0     6.2109     6.0000    -0.2109     3.9682     3.6520     0.3162
 17   0     6.2321     6.0000    -0.2321     4.0009     3.6719     0.3290
 18   0     6.2119     6.0000    -0.2119     3.9809     3.6613     0.3196
 19   0     6.2055     6.0000    -0.2055     3.9891     3.6665     0.3226
 20   0     0.8766     1.0000     0.1234     0.9702     0.9203     0.0499
 21   0     0.8829     1.0000     0.1171     0.9761     0.9247     0.0514
 22   0     0.8775     1.0000     0.1225     0.9723     0.9212     0.0511
 23   0     0.8851     1.0000     0.1149     0.9823     0.9319     0.0504
 24   0     0.8860     1.0000     0.1140     0.9721     0.9184     0.0537
 25   0     0.8873     1.0000     0.1127     0.9755     0.9218     0.0537
 26   0     0.9223     1.0000     0.0777     1.0079     0.9536     0.0543
 27   0     0.8937     1.0000     0.1063     0.9826     0.9308     0.0518
 28   0     0.8781     1.0000     0.1219     0.9722     0.9184     0.0538
 29   0     0.8967     1.0000     0.1033     0.9811     0.9262     0.0549
 30   0     6.1291     6.0000    -0.1291     3.9103     3.6018     0.3085
 31   0     6.2038     6.0000    -0.2038     3.9859     3.6841     0.3018
 32   0     6.2404     6.0000    -0.2404     4.0055     3.6886     0.3169
 33   0     6.1812     6.0000    -0.1812     3.9732     3.6646     0.3086
 34   0     6.2880     6.0000    -0.2880     3.9982     3.6763     0.3219
 35   0     0.9364     1.0000     0.0636     1.0244     0.9699     0.0545
 36   0     0.8996     1.0000     0.1004     0.9835     0.9307     0.0528
 37   0     0.8975     1.0000     0.1025     0.9746     0.9229     0.0517
 38   0     0.8944     1.0000     0.1056     0.9799     0.9335     0.0464
 39   0     0.8926     1.0000     0.1074     0.9803     0.9285     0.0518
 40   0     0.8875     1.0000     0.1125     0.9770     0.9265     0.0505
 41   0     0.8836     1.0000     0.1164     0.9769     0.9270     0.0499
 42   0     0.8945     1.0000     0.1055     0.9794     0.9291     0.0503
 43   0     0.8814     1.0000     0.1186     0.9768     0.9280     0.0488
 44   0     0.8974     1.0000     0.1026     0.9726     0.9179     0.0547
 45   0     6.1519     6.0000    -0.1519     3.9661     3.6495     0.3166
 46   0     6.2820     6.0000    -0.2820     3.9845     3.6676     0.3169
 47   0     6.2153     6.0000    -0.2153     3.9713     3.6545     0.3168
 48   0     6.1953     6.0000    -0.1953     3.9714     3.6634     0.3080
 49   0     6.2585     6.0000    -0.2585     4.0178     3.6998     0.3180
 50   0     0.8970     1.0000     0.1030     0.9949     0.9444     0.0505
 51   0     0.8985     1.0000     0.1015     0.9925     0.9406     0.0519
 52   0     0.8803     1.0000     0.1197     0.9736     0.9229     0.0507
 53   0     0.8884     1.0000     0.1116     0.9751     0.9266     0.0485
 54   0     0.8921     1.0000     0.1079     0.9740     0.9199     0.0541
 55   0     0.8901     1.0000     0.1099     0.9762     0.9248     0.0514
 56   0     0.8924     1.0000     0.1076     0.9795     0.9280     0.0515
 57   0     0.8921     1.0000     0.1079     0.9773     0.9271     0.0502
 58   0     0.8801     1.0000     0.1199     0.9732     0.9221     0.0511
 59   0     0.8882     1.0000     0.1118     0.9761     0.9263     0.0498
 60   0     6.2477     6.0000    -0.2477     3.9769     3.6569     0.3200
 61   0     6.2457     6.0000    -0.2457     3.9857     3.6674     0.3183
 62   0     6.1809     6.0000    -0.1809     3.9865     3.6704     0.3161
 63   0     6.2553     6.0000    -0.2553     3.9895     3.6654     0.3241
 64   0     6.2054     6.0000    -0.2054     3.9600     3.6407     0.3193
 65   0     0.8953     1.0000     0.1047     0.9760     0.9236     0.0524
 66   0     0.8742     1.0000     0.1258     0.9749     0.9254     0.0495
 67   0     0.8938     1.0000     0.1062     0.9771     0.9250     0.0521
 68   0     0.8765     1.0000     0.1235     0.9722     0.9211     0.0511
 69   0     0.8825     1.0000     0.1175     0.9807     0.9325     0.0482
 70   0     0.8928     1.0000     0.1072     0.9808     0.9302     0.0506
 71   0     0.8882     1.0000     0.1118     0.9734     0.9214     0.0520
 72   0     0.8867     1.0000     0.1133     0.9793     0.9288     0.0505
 73   0     0.9004     1.0000     0.0996     0.9767     0.9228     0.0539
 74   0     0.8749     1.0000     0.1251     0.9747     0.9256     0.0491
 75   0     6.2499     6.0000    -0.2499     3.9672     3.6474     0.3198
 76   0     6.2100     6.0000    -0.2100     3.9903     3.6787     0.3116
 77   0     6.2146     6.0000    -0.2146     4.0021     3.6907     0.3114
 78   0     6.1883     6.0000    -0.1883     3.9837     3.6698     0.3139
 79   0     6.2168     6.0000    -0.2168     3.9962     3.6814     0.3148
 80   0     0.8979     1.0000     0.1021     0.9708     0.9157     0.0551
 81   0     0.8822     1.0000     0.1178     0.9715     0.9203     0.0512
 82   0     0.8913     1.0000     0.1087     0.9753     0.9229     0.0524
 83   0     0.8933     1.0000     0.1067     0.9746     0.9229     0.0517
 84   0     0.8977     1.0000     0.1023     0.9765     0.9234     0.0531
 85   0     0.8822     1.0000     0.1178     0.9804     0.9326     0.0478
 86   0     0.8893     1.0000     0.1107     0.9777     0.9287     0.0490
 87   0     0.9076     1.0000     0.0924     0.9977     0.9454     0.0523
 88   0     0.8867     1.0000     0.1133     0.9812     0.9307     0.0505
 89   0     0.8915     1.0000     0.1085     0.9784     0.9286     0.0498
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.920482
                0             6               4            6                0.932940
                0             6               5            1                0.933160
                0             6               6            1                0.934299
                1             6               2            6                0.930402
                1             6               7            1                0.941209
                1             6               8            1                0.932609
                2             6               3            6                0.909703
                2             6               9            1                0.926913
                2             6              10            1                0.943908
                3             6               4            6                0.923734
                3             6              11            1                0.926123
                3             6              12            1                0.940490
                4             6              13            1                0.926242
                4             6              14            1                0.926619
               15             6              16            6                0.924826
               15             6              19            6                0.929430
               15             6              20            1                0.938696
               15             6              21            1                0.930301
               16             6              17            6                0.910597
               16             6              22            1                0.924516
               16             6              23            1                0.946302
               17             6              18            6                0.911508
               17             6              24            1                0.931023
               17             6              25            1                0.934784
               18             6              19            6                0.922854
               18             6              26            1                0.940423
               18             6              27            1                0.932986
               19             6              28            1                0.930326
               19             6              29            1                0.929447
               30             6              31            6                0.915075
               30             6              34            6                0.891552
               30             6              35            1                0.945991
               30             6              36            1                0.933462
               31             6              32            6                0.912570
               31             6              37            1                0.935297
               31             6              38            1                0.954932
               32             6              33            6                0.924877
               32             6              39            1                0.936966
               32             6              40            1                0.939805
               33             6              34            6                0.911202
               33             6              41            1                0.935600
               33             6              42            1                0.947198
               34             6              43            1                0.940532
               34             6              44            1                0.937421
               45             6              46            6                0.902644
               45             6              49            6                0.912487
               45             6              50            1                0.938784
               45             6              51            1                0.939551
               46             6              47            6                0.906947
               46             6              52            1                0.937321
               46             6              53            1                0.947328
               47             6              48            6                0.920019
               47             6              54            1                0.933165
               47             6              55            1                0.941490
               48             6              49            6                0.919129
               48             6              56            1                0.936604
               48             6              57            1                0.944594
               49             6              58            1                0.935572
               49             6              59            1                0.945782
               60             6              61            6                0.904164
               60             6              64            6                0.899021
               60             6              65            1                0.938225
               60             6              66            1                0.944848
               61             6              62            6                0.919406
               61             6              67            1                0.947995
               61             6              68            1                0.932834
               62             6              63            6                0.907255
               62             6              69            1                0.940850
               62             6              70            1                0.936326
               63             6              64            6                0.914448
               63             6              71            1                0.939453
               63             6              72            1                0.940783
               64             6              73            1                0.941931
               64             6              74            1                0.932918
               75             6              76            6                0.918796
               75             6              79            6                0.915070
               75             6              80            1                0.936929
               75             6              81            1                0.934256
               76             6              77            6                0.926919
               76             6              82            1                0.929806
               76             6              83            1                0.942780
               77             6              78            6                0.913129
               77             6              84            1                0.932886
               77             6              85            1                0.941334
               78             6              79            6                0.916386
               78             6              86            1                0.939505
               78             6              87            1                0.952890
               79             6              88            1                0.931640
               79             6              89            1                0.943829
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1863825028
        Correlation Energy:       -5.0641632973
        Total MP2 Energy:      -1176.2505458001
# -----------------------------------------------------------
$ 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) :        0.2216239062
        Electronic Contribution:
                  0    
      0       0.203005
      1      -0.733192
      2       0.483351
        Nuclear Contribution:
                  0    
      0      -0.168701
      1       0.779239
      2      -0.417736
        Total Dipole moment:
                  0    
      0       0.034304
      1       0.046047
      2       0.065615
# -----------------------------------------------------------
$ 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) :        0.2218859167
        Electronic Contribution:
                  0    
      0       0.202332
      1      -0.731820
      2       0.482858
        Nuclear Contribution:
                  0    
      0      -0.168701
      1       0.779239
      2      -0.417736
        Total Dipole moment:
                  0    
      0       0.033631
      1       0.047419
      2       0.065121
# -----------------------------------------------------------
$ 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) :        0.2245556881
        Electronic Contribution:
                  0    
      0       0.186307
      1      -0.705857
      2       0.463672
        Nuclear Contribution:
                  0    
      0      -0.168701
      1       0.779239
      2      -0.417736
        Total Dipole moment:
                  0    
      0       0.017605
      1       0.073382
      2       0.045935
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     20.090000000000   20.420000000000   19.190000000000
               1 C     20.520000000000   18.990000000000   19.660000000000
               2 C     21.380000000000   18.480000000000   18.540000000000
               3 C     22.010000000000   19.700000000000   17.840000000000
               4 C     21.050000000000   20.860000000000   18.110000000000
               5 H     20.110000000000   21.060000000000   20.080000000000
               6 H     19.040000000000   20.470000000000   18.930000000000
               7 H     19.610000000000   18.410000000000   19.680000000000
               8 H     21.080000000000   18.950000000000   20.620000000000
               9 H     20.830000000000   17.800000000000   17.860000000000
              10 H     22.180000000000   17.980000000000   19.030000000000
              11 H     22.430000000000   19.550000000000   16.820000000000
              12 H     22.980000000000   19.830000000000   18.320000000000
              13 H     20.490000000000   21.170000000000   17.150000000000
              14 H     21.720000000000   21.740000000000   18.360000000000
              15 C     18.330000000000   18.840000000000   13.200000000000
              16 C     17.220000000000   18.220000000000   13.990000000000
              17 C     17.500000000000   18.430000000000   15.480000000000
              18 C     18.670000000000   19.440000000000   15.560000000000
              19 C     19.360000000000   19.360000000000   14.220000000000
              20 H     17.980000000000   19.630000000000   12.540000000000
              21 H     18.910000000000   18.180000000000   12.550000000000
              22 H     17.040000000000   17.130000000000   13.830000000000
              23 H     16.310000000000   18.770000000000   13.850000000000
              24 H     17.790000000000   17.490000000000   16.070000000000
              25 H     16.550000000000   18.870000000000   15.890000000000
              26 H     19.310000000000   19.080000000000   16.390000000000
              27 H     18.350000000000   20.440000000000   15.830000000000
              28 H     20.300000000000   18.760000000000   14.470000000000
              29 H     19.660000000000   20.400000000000   13.850000000000
              30 C     16.170000000000   17.080000000000   18.690000000000
              31 C     16.040000000000   15.640000000000   18.850000000000
              32 C     14.600000000000   15.310000000000   19.190000000000
              33 C     13.910000000000   16.680000000000   19.490000000000
              34 C     14.830000000000   17.800000000000   19.070000000000
              35 H     16.340000000000   17.310000000000   17.650000000000
              36 H     17.040000000000   17.470000000000   19.290000000000
              37 H     16.690000000000   15.300000000000   19.680000000000
              38 H     16.300000000000   15.190000000000   17.980000000000
              39 H     14.620000000000   14.650000000000   20.080000000000
              40 H     14.190000000000   14.740000000000   18.350000000000
              41 H     13.580000000000   16.770000000000   20.520000000000
              42 H     13.040000000000   16.760000000000   18.870000000000
              43 H     14.990000000000   18.600000000000   19.730000000000
              44 H     14.330000000000   18.430000000000   18.270000000000
              45 C     15.270000000000   21.490000000000   16.130000000000
              46 C     14.540000000000   21.550000000000   14.740000000000
              47 C     13.720000000000   22.840000000000   14.720000000000
              48 C     13.990000000000   23.600000000000   16.000000000000
              49 C     14.780000000000   22.730000000000   16.960000000000
              50 H     16.340000000000   21.510000000000   15.920000000000
              51 H     14.900000000000   20.600000000000   16.630000000000
              52 H     13.930000000000   20.670000000000   14.500000000000
              53 H     15.170000000000   21.600000000000   13.930000000000
              54 H     12.610000000000   22.610000000000   14.570000000000
              55 H     13.950000000000   23.540000000000   13.910000000000
              56 H     13.010000000000   23.900000000000   16.400000000000
              57 H     14.570000000000   24.490000000000   15.800000000000
              58 H     14.230000000000   22.590000000000   17.900000000000
              59 H     15.630000000000   23.220000000000   17.370000000000
              60 C     23.960000000000   18.330000000000   13.460000000000
              61 C     24.370000000000   17.520000000000   14.720000000000
              62 C     25.180000000000   16.260000000000   14.400000000000
              63 C     25.240000000000   16.310000000000   12.790000000000
              64 C     24.600000000000   17.610000000000   12.230000000000
              65 H     24.370000000000   19.340000000000   13.500000000000
              66 H     22.940000000000   18.580000000000   13.240000000000
              67 H     23.490000000000   17.110000000000   15.180000000000
              68 H     24.770000000000   18.080000000000   15.580000000000
              69 H     24.680000000000   15.390000000000   14.780000000000
              70 H     26.230000000000   16.360000000000   14.670000000000
              71 H     24.700000000000   15.430000000000   12.410000000000
              72 H     26.240000000000   16.220000000000   12.390000000000
              73 H     23.650000000000   17.380000000000   11.700000000000
              74 H     25.230000000000   18.200000000000   11.570000000000
              75 C     15.810000000000   18.890000000000    8.610000000000
              76 C     14.970000000000   19.820000000000    9.440000000000
              77 C     14.810000000000   19.220000000000   10.820000000000
              78 C     15.690000000000   17.970000000000   10.820000000000
              79 C     16.530000000000   17.870000000000    9.510000000000
              80 H     16.560000000000   19.520000000000    8.050000000000
              81 H     15.360000000000   18.440000000000    7.720000000000
              82 H     14.040000000000   20.000000000000    8.860000000000
              83 H     15.430000000000   20.820000000000    9.490000000000
              84 H     13.770000000000   18.820000000000   10.920000000000
              85 H     14.930000000000   20.000000000000   11.510000000000
              86 H     15.090000000000   17.090000000000   10.930000000000
              87 H     16.380000000000   17.980000000000   11.650000000000
              88 H     16.540000000000   16.850000000000    9.090000000000
              89 H     17.540000000000   18.220000000000    9.630000000000
