-------------------------------------------------------------
----------------------- !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:    -1171.1935972031
# -----------------------------------------------------------
$ 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     6.1495     6.0000    -0.1495     3.8303     3.8303    -0.0000
  1   0     6.1735     6.0000    -0.1735     3.8969     3.8969     0.0000
  2   0     6.1644     6.0000    -0.1644     3.9215     3.9215     0.0000
  3   0     6.1460     6.0000    -0.1460     3.9277     3.9277     0.0000
  4   0     6.1736     6.0000    -0.1736     3.8550     3.8550     0.0000
  5   0     0.9195     1.0000     0.0805     0.9746     0.9746     0.0000
  6   0     0.9192     1.0000     0.0808     0.9731     0.9731     0.0000
  7   0     0.9132     1.0000     0.0868     0.9743     0.9743     0.0000
  8   0     0.9270     1.0000     0.0730     0.9733     0.9733     0.0000
  9   0     0.9190     1.0000     0.0810     0.9793     0.9793     0.0000
 10   0     0.9140     1.0000     0.0860     0.9765     0.9765    -0.0000
 11   0     0.9167     1.0000     0.0833     0.9778     0.9778     0.0000
 12   0     0.9111     1.0000     0.0889     0.9772     0.9772     0.0000
 13   0     0.9157     1.0000     0.0843     0.9733     0.9733     0.0000
 14   0     0.9376     1.0000     0.0624     0.9927     0.9927     0.0000
 15   0     6.1759     6.0000    -0.1759     3.9104     3.9104    -0.0000
 16   0     6.1525     6.0000    -0.1525     3.8823     3.8823     0.0000
 17   0     6.2175     6.0000    -0.2175     3.8811     3.8811     0.0000
 18   0     6.1430     6.0000    -0.1430     3.9015     3.9015     0.0000
 19   0     6.1726     6.0000    -0.1726     3.8995     3.8995     0.0000
 20   0     0.9072     1.0000     0.0928     0.9753     0.9753    -0.0000
 21   0     0.9247     1.0000     0.0753     0.9676     0.9676    -0.0000
 22   0     0.9123     1.0000     0.0877     0.9662     0.9662     0.0000
 23   0     0.9020     1.0000     0.0980     0.9711     0.9711     0.0000
 24   0     0.9020     1.0000     0.0980     0.9682     0.9682     0.0000
 25   0     0.9084     1.0000     0.0916     0.9696     0.9696     0.0000
 26   0     0.9277     1.0000     0.0723     0.9723     0.9723     0.0000
 27   0     0.9021     1.0000     0.0979     0.9755     0.9755     0.0000
 28   0     0.9220     1.0000     0.0780     0.9768     0.9768    -0.0000
 29   0     0.9179     1.0000     0.0821     0.9734     0.9734     0.0000
 30   0     6.2378     6.0000    -0.2378     3.9402     3.9402    -0.0000
 31   0     6.0562     6.0000    -0.0562     3.8316     3.8316     0.0000
 32   0     6.1880     6.0000    -0.1880     3.8542     3.8542    -0.0000
 33   0     6.2129     6.0000    -0.2129     3.9397     3.9397    -0.0000
 34   0     6.0178     6.0000    -0.0178     3.9092     3.9092    -0.0000
 35   0     0.8995     1.0000     0.1005     0.9688     0.9688    -0.0000
 36   0     0.9239     1.0000     0.0761     0.9740     0.9740    -0.0000
 37   0     0.9995     1.0000     0.0005     1.0228     1.0228     0.0000
 38   0     0.9184     1.0000     0.0816     0.9770     0.9770    -0.0000
 39   0     0.9166     1.0000     0.0834     0.9643     0.9643    -0.0000
 40   0     0.9085     1.0000     0.0915     0.9695     0.9695    -0.0000
 41   0     0.9220     1.0000     0.0780     0.9741     0.9741     0.0000
 42   0     0.9432     1.0000     0.0568     0.9922     0.9922    -0.0000
 43   0     0.9033     1.0000     0.0967     0.9746     0.9746    -0.0000
 44   0     0.9691     1.0000     0.0309     1.0168     1.0168    -0.0000
 45   0     6.1633     6.0000    -0.1633     3.8833     3.8833    -0.0000
 46   0     6.1849     6.0000    -0.1849     3.8825     3.8825    -0.0000
 47   0     6.1403     6.0000    -0.1403     3.9081     3.9081    -0.0000
 48   0     6.1527     6.0000    -0.1527     3.9120     3.9120    -0.0000
 49   0     6.1672     6.0000    -0.1672     3.8789     3.8789     0.0000
 50   0     0.9132     1.0000     0.0868     0.9737     0.9737    -0.0000
 51   0     0.9203     1.0000     0.0797     0.9745     0.9745    -0.0000
 52   0     0.9295     1.0000     0.0705     0.9718     0.9718    -0.0000
 53   0     0.9060     1.0000     0.0940     0.9733     0.9733     0.0000
 54   0     0.9166     1.0000     0.0834     0.9778     0.9778     0.0000
 55   0     0.9221     1.0000     0.0779     0.9774     0.9774     0.0000
 56   0     0.9127     1.0000     0.0873     0.9747     0.9747     0.0000
 57   0     0.9206     1.0000     0.0794     0.9782     0.9782     0.0000
 58   0     0.9119     1.0000     0.0881     0.9787     0.9787     0.0000
 59   0     0.9364     1.0000     0.0636     0.9881     0.9881     0.0000
 60   0     6.1725     6.0000    -0.1725     3.8586     3.8586    -0.0000
 61   0     6.1836     6.0000    -0.1836     3.8705     3.8705    -0.0000
 62   0     6.1511     6.0000    -0.1511     3.9010     3.9010    -0.0000
 63   0     6.1473     6.0000    -0.1473     3.9038     3.9038    -0.0000
 64   0     6.1489     6.0000    -0.1489     3.8976     3.8976     0.0000
 65   0     0.8966     1.0000     0.1034     0.9692     0.9692    -0.0000
 66   0     0.9371     1.0000     0.0629     0.9803     0.9803    -0.0000
 67   0     0.9077     1.0000     0.0923     0.9703     0.9703    -0.0000
 68   0     0.9377     1.0000     0.0623     0.9868     0.9868     0.0000
 69   0     0.9232     1.0000     0.0768     0.9827     0.9827    -0.0000
 70   0     0.9131     1.0000     0.0869     0.9727     0.9727    -0.0000
 71   0     0.9138     1.0000     0.0862     0.9749     0.9749    -0.0000
 72   0     0.9266     1.0000     0.0734     0.9800     0.9800    -0.0000
 73   0     0.9199     1.0000     0.0801     0.9757     0.9757     0.0000
 74   0     0.9198     1.0000     0.0802     0.9771     0.9771     0.0000
 75   0     6.1724     6.0000    -0.1724     3.9135     3.9135     0.0000
 76   0     6.1434     6.0000    -0.1434     3.8280     3.8280     0.0000
 77   0     6.1637     6.0000    -0.1637     3.9356     3.9356    -0.0000
 78   0     6.1460     6.0000    -0.1460     3.8845     3.8845     0.0000
 79   0     6.1382     6.0000    -0.1382     3.8845     3.8845    -0.0000
 80   0     0.9136     1.0000     0.0864     0.9789     0.9789     0.0000
 81   0     0.9149     1.0000     0.0851     0.9791     0.9791     0.0000
 82   0     0.9564     1.0000     0.0436     1.0030     1.0030     0.0000
 83   0     0.9175     1.0000     0.0825     0.9746     0.9746     0.0000
 84   0     0.9131     1.0000     0.0869     0.9755     0.9755    -0.0000
 85   0     0.9158     1.0000     0.0842     0.9768     0.9768    -0.0000
 86   0     0.9242     1.0000     0.0758     0.9775     0.9775    -0.0000
 87   0     0.9282     1.0000     0.0718     0.9793     0.9793     0.0000
 88   0     0.9263     1.0000     0.0737     0.9804     0.9804    -0.0000
 89   0     0.9254     1.0000     0.0746     0.9823     0.9823    -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                0.952048
                0             6               4            6                0.949340
                0             6               5            1                0.988903
                0             6               6            1                0.997169
                1             6               2            6                0.975321
                1             6               7            1                0.999488
                1             6               8            1                1.004078
                2             6               3            6                0.985790
                2             6               9            1                0.995456
                2             6              10            1                0.992699
                3             6               4            6                0.969706
                3             6              11            1                0.994129
                3             6              12            1                0.996517
                4             6              13            1                0.991217
                4             6              14            1                0.995718
               15             6              16            6                0.979061
               15             6              19            6                0.975910
               15             6              20            1                0.991783
               15             6              21            1                0.996123
               16             6              17            6                0.963809
               16             6              22            1                0.993754
               16             6              23            1                0.979680
               17             6              18            6                0.966461
               17             6              24            1                0.995799
               17             6              25            1                0.980460
               18             6              19            6                0.979813
               18             6              26            1                1.004047
               18             6              27            1                0.984147
               19             6              28            1                1.000178
               19             6              29            1                0.984472
               30             6              31            6                0.965406
               30             6              34            6                0.975198
               30             6              35            1                0.992045
               30             6              36            1                1.009252
               31             6              32            6                0.959177
               31             6              37            1                0.994570
               31             6              38            1                0.981210
               32             6              33            6                0.946149
               32             6              39            1                1.003714
               32             6              40            1                0.995591
               33             6              34            6                1.005128
               33             6              41            1                0.992044
               33             6              42            1                1.006635
               34             6              43            1                0.979989
               34             6              44            1                0.999419
               45             6              46            6                0.960330
               45             6              49            6                0.969843
               45             6              50            1                0.987294
               45             6              51            1                0.997518
               46             6              47            6                0.971383
               46             6              52            1                1.004115
               46             6              53            1                0.983328
               47             6              48            6                0.993219
               47             6              54            1                0.985369
               47             6              55            1                0.984773
               48             6              49            6                0.955028
               48             6              56            1                0.987835
               48             6              57            1                1.001832
               49             6              58            1                0.992548
               49             6              59            1                0.993202
               60             6              61            6                0.956620
               60             6              64            6                0.965130
               60             6              65            1                0.977970
               60             6              66            1                0.996153
               61             6              62            6                0.965618
               61             6              67            1                0.987347
               61             6              68            1                0.998540
               62             6              63            6                0.978061
               62             6              69            1                0.993396
               62             6              70            1                0.988088
               63             6              64            6                0.977521
               63             6              71            1                0.988663
               63             6              72            1                0.993443
               64             6              73            1                0.989615
               64             6              74            1                0.993289
               75             6              76            6                0.955997
               75             6              79            6                0.982973
               75             6              80            1                0.987999
               75             6              81            1                0.992382
               76             6              77            6                0.959828
               76             6              82            1                0.991875
               76             6              83            1                0.986393
               77             6              78            6                0.997916
               77             6              84            1                0.989028
               77             6              85            1                0.991546
               78             6              79            6                0.949227
               78             6              86            1                0.994311
               78             6              87            1                0.989142
               79             6              88            1                1.001018
               79             6              89            1                0.996409
# -----------------------------------------------------------
$ 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     6.1565     6.0000    -0.1565     3.9409     3.6209     0.3200
  1   0     6.1818     6.0000    -0.1818     4.0079     3.6886     0.3193
  2   0     6.1717     6.0000    -0.1717     4.0282     3.7123     0.3159
  3   0     6.1537     6.0000    -0.1537     4.0337     3.7141     0.3196
  4   0     6.1812     6.0000    -0.1812     3.9679     3.6394     0.3285
  5   0     0.9155     1.0000     0.0845     0.9843     0.9313     0.0530
  6   0     0.9152     1.0000     0.0848     0.9825     0.9314     0.0511
  7   0     0.9093     1.0000     0.0907     0.9835     0.9342     0.0493
  8   0     0.9231     1.0000     0.0769     0.9832     0.9299     0.0533
  9   0     0.9153     1.0000     0.0847     0.9888     0.9380     0.0508
 10   0     0.9103     1.0000     0.0897     0.9858     0.9344     0.0514
 11   0     0.9130     1.0000     0.0870     0.9872     0.9357     0.0515
 12   0     0.9073     1.0000     0.0927     0.9862     0.9370     0.0492
 13   0     0.9117     1.0000     0.0883     0.9826     0.9297     0.0529
 14   0     0.9340     1.0000     0.0660     1.0032     0.9492     0.0540
 15   0     6.1836     6.0000    -0.1836     4.0199     3.7000     0.3199
 16   0     6.1605     6.0000    -0.1605     3.9939     3.6648     0.3291
 17   0     6.2267     6.0000    -0.2267     4.0006     3.6629     0.3377
 18   0     6.1501     6.0000    -0.1501     4.0086     3.6885     0.3201
 19   0     6.1814     6.0000    -0.1814     4.0112     3.6898     0.3214
 20   0     0.9031     1.0000     0.0969     0.9842     0.9341     0.0501
 21   0     0.9206     1.0000     0.0794     0.9773     0.9226     0.0547
 22   0     0.9085     1.0000     0.0915     0.9762     0.9249     0.0513
 23   0     0.8977     1.0000     0.1023     0.9799     0.9286     0.0513
 24   0     0.8981     1.0000     0.1019     0.9772     0.9249     0.0523
 25   0     0.9042     1.0000     0.0958     0.9787     0.9249     0.0538
 26   0     0.9238     1.0000     0.0762     0.9822     0.9284     0.0538
 27   0     0.8980     1.0000     0.1020     0.9842     0.9328     0.0514
 28   0     0.9179     1.0000     0.0821     0.9861     0.9361     0.0500
 29   0     0.9140     1.0000     0.0860     0.9831     0.9309     0.0522
 30   0     6.2468     6.0000    -0.2468     4.0571     3.7207     0.3364
 31   0     6.0617     6.0000    -0.0617     3.9318     3.6149     0.3169
 32   0     6.1967     6.0000    -0.1967     3.9704     3.6425     0.3279
 33   0     6.2207     6.0000    -0.2207     4.0517     3.7199     0.3318
 34   0     6.0253     6.0000    -0.0253     4.0075     3.6922     0.3153
 35   0     0.8954     1.0000     0.1046     0.9774     0.9267     0.0507
 36   0     0.9197     1.0000     0.0803     0.9835     0.9270     0.0565
 37   0     0.9968     1.0000     0.0032     1.0366     0.9773     0.0593
 38   0     0.9142     1.0000     0.0858     0.9863     0.9339     0.0524
 39   0     0.9125     1.0000     0.0875     0.9736     0.9188     0.0548
 40   0     0.9044     1.0000     0.0956     0.9784     0.9255     0.0529
 41   0     0.9180     1.0000     0.0820     0.9835     0.9263     0.0572
 42   0     0.9397     1.0000     0.0603     1.0031     0.9482     0.0549
 43   0     0.8992     1.0000     0.1008     0.9832     0.9341     0.0491
 44   0     0.9650     1.0000     0.0350     1.0275     0.9730     0.0545
 45   0     6.1711     6.0000    -0.1711     3.9937     3.6718     0.3219
 46   0     6.1930     6.0000    -0.1930     3.9941     3.6700     0.3241
 47   0     6.1483     6.0000    -0.1483     4.0157     3.6940     0.3217
 48   0     6.1599     6.0000    -0.1599     4.0185     3.7020     0.3165
 49   0     6.1746     6.0000    -0.1746     3.9886     3.6645     0.3241
 50   0     0.9097     1.0000     0.0903     0.9836     0.9313     0.0523
 51   0     0.9160     1.0000     0.0840     0.9838     0.9313     0.0525
 52   0     0.9256     1.0000     0.0744     0.9819     0.9288     0.0531
 53   0     0.9023     1.0000     0.0977     0.9825     0.9284     0.0541
 54   0     0.9126     1.0000     0.0874     0.9869     0.9331     0.0538
 55   0     0.9182     1.0000     0.0818     0.9869     0.9338     0.0531
 56   0     0.9090     1.0000     0.0910     0.9841     0.9330     0.0511
 57   0     0.9168     1.0000     0.0832     0.9877     0.9374     0.0503
 58   0     0.9080     1.0000     0.0920     0.9876     0.9373     0.0503
 59   0     0.9329     1.0000     0.0671     0.9987     0.9422     0.0565
 60   0     6.1797     6.0000    -0.1797     3.9697     3.6439     0.3258
 61   0     6.1910     6.0000    -0.1910     3.9819     3.6549     0.3270
 62   0     6.1589     6.0000    -0.1589     4.0085     3.6897     0.3188
 63   0     6.1545     6.0000    -0.1545     4.0097     3.6952     0.3145
 64   0     6.1573     6.0000    -0.1573     4.0067     3.6837     0.3230
 65   0     0.8927     1.0000     0.1073     0.9780     0.9273     0.0507
 66   0     0.9332     1.0000     0.0668     0.9907     0.9353     0.0554
 67   0     0.9038     1.0000     0.0962     0.9794     0.9254     0.0540
 68   0     0.9341     1.0000     0.0659     0.9975     0.9440     0.0535
 69   0     0.9194     1.0000     0.0806     0.9921     0.9406     0.0515
 70   0     0.9093     1.0000     0.0907     0.9819     0.9309     0.0510
 71   0     0.9099     1.0000     0.0901     0.9842     0.9346     0.0496
 72   0     0.9227     1.0000     0.0773     0.9897     0.9373     0.0524
 73   0     0.9160     1.0000     0.0840     0.9851     0.9317     0.0534
 74   0     0.9160     1.0000     0.0840     0.9867     0.9351     0.0516
 75   0     6.1802     6.0000    -0.1802     4.0233     3.7012     0.3221
 76   0     6.1501     6.0000    -0.1501     3.9370     3.6136     0.3234
 77   0     6.1719     6.0000    -0.1719     4.0437     3.7226     0.3211
 78   0     6.1542     6.0000    -0.1542     3.9916     3.6730     0.3186
 79   0     6.1458     6.0000    -0.1458     3.9901     3.6759     0.3142
 80   0     0.9099     1.0000     0.0901     0.9883     0.9354     0.0529
 81   0     0.9110     1.0000     0.0890     0.9882     0.9386     0.0496
 82   0     0.9534     1.0000     0.0466     1.0153     0.9592     0.0561
 83   0     0.9138     1.0000     0.0862     0.9845     0.9307     0.0538
 84   0     0.9091     1.0000     0.0909     0.9845     0.9317     0.0528
 85   0     0.9118     1.0000     0.0882     0.9860     0.9335     0.0525
 86   0     0.9202     1.0000     0.0798     0.9870     0.9341     0.0529
 87   0     0.9242     1.0000     0.0758     0.9888     0.9349     0.0539
 88   0     0.9225     1.0000     0.0775     0.9902     0.9378     0.0524
 89   0     0.9215     1.0000     0.0785     0.9918     0.9432     0.0486
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.889625
                0             6               4            6                0.888266
                0             6               5            1                0.946702
                0             6               6            1                0.955982
                1             6               2            6                0.913740
                1             6               7            1                0.960452
                1             6               8            1                0.961670
                2             6               3            6                0.922610
                2             6               9            1                0.955419
                2             6              10            1                0.951870
                3             6               4            6                0.902735
                3             6              11            1                0.953230
                3             6              12            1                0.957381
                4             6              13            1                0.948624
                4             6              14            1                0.953341
               15             6              16            6                0.916417
               15             6              19            6                0.914728
               15             6              20            1                0.952019
               15             6              21            1                0.952142
               16             6              17            6                0.894991
               16             6              22            1                0.952725
               16             6              23            1                0.938608
               17             6              18            6                0.906016
               17             6              24            1                0.953220
               17             6              25            1                0.937394
               18             6              19            6                0.914983
               18             6              26            1                0.960637
               18             6              27            1                0.943339
               19             6              28            1                0.960525
               19             6              29            1                0.943534
               30             6              31            6                0.899862
               30             6              34            6                0.910924
               30             6              35            1                0.951179
               30             6              36            1                0.962998
               31             6              32            6                0.897409
               31             6              37            1                0.950045
               31             6              38            1                0.939184
               32             6              33            6                0.885483
               32             6              39            1                0.958678
               32             6              40            1                0.953006
               33             6              34            6                0.938071
               33             6              41            1                0.945635
               33             6              42            1                0.963723
               34             6              43            1                0.940356
               34             6              44            1                0.956625
               45             6              46            6                0.898243
               45             6              49            6                0.906704
               45             6              50            1                0.946281
               45             6              51            1                0.955393
               46             6              47            6                0.909485
               46             6              52            1                0.961930
               46             6              53            1                0.940241
               47             6              48            6                0.929699
               47             6              54            1                0.942384
               47             6              55            1                0.942793
               48             6              49            6                0.892083
               48             6              56            1                0.947643
               48             6              57            1                0.961916
               49             6              58            1                0.952428
               49             6              59            1                0.948693
               60             6              61            6                0.893714
               60             6              64            6                0.900822
               60             6              65            1                0.937647
               60             6              66            1                0.952166
               61             6              62            6                0.901093
               61             6              67            1                0.943738
               61             6              68            1                0.956808
               62             6              63            6                0.916310
               62             6              69            1                0.952700
               62             6              70            1                0.947603
               63             6              64            6                0.914557
               63             6              71            1                0.949673
               63             6              72            1                0.952005
               64             6              73            1                0.946966
               64             6              74            1                0.952546
               75             6              76            6                0.893719
               75             6              79            6                0.918372
               75             6              80            1                0.945923
               75             6              81            1                0.953008
               76             6              77            6                0.896391
               76             6              82            1                0.949238
               76             6              83            1                0.943482
               77             6              78            6                0.936312
               77             6              84            1                0.946638
               77             6              85            1                0.949630
               78             6              79            6                0.887234
               78             6              86            1                0.952234
               78             6              87            1                0.946331
               79             6              88            1                0.959563
               79             6              89            1                0.958612
# -----------------------------------------------------------
$ 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     6.2067     6.0000    -0.2067     3.9258     3.6101     0.3157
  1   0     6.2318     6.0000    -0.2318     3.9862     3.6709     0.3153
  2   0     6.2232     6.0000    -0.2232     4.0160     3.7041     0.3119
  3   0     6.2040     6.0000    -0.2040     4.0162     3.7004     0.3158
  4   0     6.2355     6.0000    -0.2355     3.9588     3.6347     0.3241
  5   0     0.8916     1.0000     0.1084     0.9798     0.9281     0.0517
  6   0     0.8850     1.0000     0.1150     0.9713     0.9216     0.0497
  7   0     0.8832     1.0000     0.1168     0.9755     0.9273     0.0482
  8   0     0.8967     1.0000     0.1033     0.9734     0.9212     0.0522
  9   0     0.8896     1.0000     0.1104     0.9789     0.9292     0.0497
 10   0     0.8860     1.0000     0.1140     0.9768     0.9264     0.0504
 11   0     0.8899     1.0000     0.1101     0.9794     0.9289     0.0505
 12   0     0.8845     1.0000     0.1155     0.9789     0.9306     0.0483
 13   0     0.8855     1.0000     0.1145     0.9753     0.9236     0.0517
 14   0     0.9043     1.0000     0.0957     0.9940     0.9413     0.0527
 15   0     6.2315     6.0000    -0.2315     4.0001     3.6846     0.3155
 16   0     6.2186     6.0000    -0.2186     3.9904     3.6656     0.3248
 17   0     6.2663     6.0000    -0.2663     3.9818     3.6488     0.3330
 18   0     6.1985     6.0000    -0.1985     3.9902     3.6744     0.3158
 19   0     6.2298     6.0000    -0.2298     3.9810     3.6636     0.3174
 20   0     0.8798     1.0000     0.1202     0.9764     0.9274     0.0490
 21   0     0.8934     1.0000     0.1066     0.9712     0.9177     0.0535
 22   0     0.8806     1.0000     0.1194     0.9694     0.9195     0.0499
 23   0     0.8806     1.0000     0.1194     0.9743     0.9239     0.0504
 24   0     0.8744     1.0000     0.1256     0.9734     0.9224     0.0510
 25   0     0.8839     1.0000     0.1161     0.9709     0.9181     0.0528
 26   0     0.8921     1.0000     0.1079     0.9779     0.9255     0.0524
 27   0     0.8794     1.0000     0.1206     0.9767     0.9262     0.0505
 28   0     0.8897     1.0000     0.1103     0.9767     0.9279     0.0488
 29   0     0.8903     1.0000     0.1097     0.9750     0.9238     0.0512
 30   0     6.2851     6.0000    -0.2851     4.0373     3.7058     0.3315
 31   0     6.1265     6.0000    -0.1265     3.9275     3.6149     0.3126
 32   0     6.2498     6.0000    -0.2498     3.9634     3.6404     0.3230
 33   0     6.2566     6.0000    -0.2566     4.0233     3.6964     0.3269
 34   0     6.1057     6.0000    -0.1057     4.0149     3.7034     0.3115
 35   0     0.8729     1.0000     0.1271     0.9709     0.9214     0.0495
 36   0     0.8919     1.0000     0.1081     0.9771     0.9220     0.0551
 37   0     0.9632     1.0000     0.0368     1.0287     0.9711     0.0576
 38   0     0.8905     1.0000     0.1095     0.9783     0.9270     0.0513
 39   0     0.8834     1.0000     0.1166     0.9647     0.9112     0.0535
 40   0     0.8787     1.0000     0.1213     0.9702     0.9185     0.0517
 41   0     0.8923     1.0000     0.1077     0.9750     0.9190     0.0560
 42   0     0.9108     1.0000     0.0892     0.9998     0.9463     0.0535
 43   0     0.8787     1.0000     0.1213     0.9773     0.9292     0.0481
 44   0     0.9331     1.0000     0.0669     1.0150     0.9619     0.0531
 45   0     6.2213     6.0000    -0.2213     3.9802     3.6625     0.3177
 46   0     6.2383     6.0000    -0.2383     3.9724     3.6527     0.3197
 47   0     6.1942     6.0000    -0.1942     3.9942     3.6768     0.3174
 48   0     6.2158     6.0000    -0.2158     4.0034     3.6908     0.3126
 49   0     6.2266     6.0000    -0.2266     3.9803     3.6605     0.3198
 50   0     0.8860     1.0000     0.1140     0.9795     0.9285     0.0510
 51   0     0.8925     1.0000     0.1075     0.9762     0.9248     0.0514
 52   0     0.8989     1.0000     0.1011     0.9715     0.9195     0.0520
 53   0     0.8792     1.0000     0.1208     0.9751     0.9221     0.0530
 54   0     0.8897     1.0000     0.1103     0.9794     0.9266     0.0528
 55   0     0.8953     1.0000     0.1047     0.9808     0.9287     0.0521
 56   0     0.8857     1.0000     0.1143     0.9765     0.9264     0.0501
 57   0     0.8889     1.0000     0.1111     0.9798     0.9307     0.0491
 58   0     0.8842     1.0000     0.1158     0.9787     0.9295     0.0492
 59   0     0.8998     1.0000     0.1002     0.9903     0.9353     0.0550
 60   0     6.2250     6.0000    -0.2250     3.9536     3.6323     0.3213
 61   0     6.2400     6.0000    -0.2400     3.9658     3.6432     0.3226
 62   0     6.2106     6.0000    -0.2106     3.9864     3.6715     0.3149
 63   0     6.2074     6.0000    -0.2074     3.9889     3.6784     0.3105
 64   0     6.2098     6.0000    -0.2098     3.9837     3.6646     0.3191
 65   0     0.8698     1.0000     0.1302     0.9735     0.9240     0.0495
 66   0     0.9072     1.0000     0.0928     0.9821     0.9279     0.0542
 67   0     0.8797     1.0000     0.1203     0.9730     0.9201     0.0529
 68   0     0.9045     1.0000     0.0955     0.9890     0.9368     0.0522
 69   0     0.8933     1.0000     0.1067     0.9831     0.9327     0.0504
 70   0     0.8858     1.0000     0.1142     0.9761     0.9261     0.0500
 71   0     0.8866     1.0000     0.1134     0.9782     0.9296     0.0486
 72   0     0.8954     1.0000     0.1046     0.9807     0.9294     0.0513
 73   0     0.8907     1.0000     0.1093     0.9775     0.9251     0.0524
 74   0     0.8922     1.0000     0.1078     0.9802     0.9296     0.0506
 75   0     6.2257     6.0000    -0.2257     3.9938     3.6759     0.3179
 76   0     6.2230     6.0000    -0.2230     3.9458     3.6267     0.3191
 77   0     6.2089     6.0000    -0.2089     4.0086     3.6920     0.3166
 78   0     6.2034     6.0000    -0.2034     3.9673     3.6532     0.3141
 79   0     6.2014     6.0000    -0.2014     3.9615     3.6511     0.3104
 80   0     0.8847     1.0000     0.1153     0.9812     0.9295     0.0517
 81   0     0.8861     1.0000     0.1139     0.9815     0.9329     0.0486
 82   0     0.9158     1.0000     0.0842     1.0025     0.9479     0.0546
 83   0     0.8863     1.0000     0.1137     0.9783     0.9258     0.0525
 84   0     0.8877     1.0000     0.1123     0.9796     0.9277     0.0519
 85   0     0.8903     1.0000     0.1097     0.9807     0.9291     0.0516
 86   0     0.8966     1.0000     0.1034     0.9814     0.9295     0.0519
 87   0     0.8981     1.0000     0.1019     0.9815     0.9287     0.0528
 88   0     0.8967     1.0000     0.1033     0.9836     0.9323     0.0513
 89   0     0.8951     1.0000     0.1049     0.9850     0.9375     0.0475
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.895273
                0             6               4            6                0.898962
                0             6               5            1                0.934572
                0             6               6            1                0.942511
                1             6               2            6                0.923366
                1             6               7            1                0.948074
                1             6               8            1                0.944265
                2             6               3            6                0.930980
                2             6               9            1                0.942667
                2             6              10            1                0.938778
                3             6               4            6                0.908161
                3             6              11            1                0.939954
                3             6              12            1                0.945960
                4             6              13            1                0.937296
                4             6              14            1                0.939778
               15             6              16            6                0.922856
               15             6              19            6                0.921862
               15             6              20            1                0.937027
               15             6              21            1                0.939385
               16             6              17            6                0.900052
               16             6              22            1                0.940519
               16             6              23            1                0.927357
               17             6              18            6                0.919361
               17             6              24            1                0.939919
               17             6              25            1                0.922684
               18             6              19            6                0.916749
               18             6              26            1                0.948912
               18             6              27            1                0.925591
               19             6              28            1                0.947137
               19             6              29            1                0.928065
               30             6              31            6                0.907167
               30             6              34            6                0.928483
               30             6              35            1                0.936117
               30             6              36            1                0.945501
               31             6              32            6                0.907247
               31             6              37            1                0.938102
               31             6              38            1                0.926705
               32             6              33            6                0.902057
               32             6              39            1                0.942208
               32             6              40            1                0.935197
               33             6              34            6                0.941102
               33             6              41            1                0.926529
               33             6              42            1                0.947471
               34             6              43            1                0.933405
               34             6              44            1                0.938713
               45             6              46            6                0.908976
               45             6              49            6                0.915364
               45             6              50            1                0.933151
               45             6              51            1                0.941933
               46             6              47            6                0.916712
               46             6              52            1                0.946972
               46             6              53            1                0.923736
               47             6              48            6                0.937690
               47             6              54            1                0.927487
               47             6              55            1                0.931174
               48             6              49            6                0.902369
               48             6              56            1                0.934208
               48             6              57            1                0.950942
               49             6              58            1                0.939811
               49             6              59            1                0.935111
               60             6              61            6                0.902773
               60             6              64            6                0.905597
               60             6              65            1                0.928321
               60             6              66            1                0.938770
               61             6              62            6                0.906698
               61             6              67            1                0.931156
               61             6              68            1                0.946075
               62             6              63            6                0.921077
               62             6              69            1                0.940306
               62             6              70            1                0.936588
               63             6              64            6                0.921348
               63             6              71            1                0.939407
               63             6              72            1                0.939349
               64             6              73            1                0.934187
               64             6              74            1                0.940516
               75             6              76            6                0.903905
               75             6              79            6                0.918789
               75             6              80            1                0.932629
               75             6              81            1                0.942950
               76             6              77            6                0.904546
               76             6              82            1                0.936440
               76             6              83            1                0.932022
               77             6              78            6                0.942131
               77             6              84            1                0.932177
               77             6              85            1                0.935381
               78             6              79            6                0.889911
               78             6              86            1                0.940593
               78             6              87            1                0.933863
               79             6              88            1                0.946895
               79             6              89            1                0.949309
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1935972031
        Correlation Energy:       -5.0730742130
        Total MP2 Energy:      -1176.2666714162
# -----------------------------------------------------------
$ 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) :        0.2577794900
        Electronic Contribution:
                  0    
      0       0.004593
      1       0.299082
      2      -0.223158
        Nuclear Contribution:
                  0    
      0       0.016067
      1      -0.232968
      2       0.297235
        Total Dipole moment:
                  0    
      0       0.020659
      1       0.066114
      2       0.074077
# -----------------------------------------------------------
$ 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) :        0.2581100703
        Electronic Contribution:
                  0    
      0       0.005182
      1       0.299108
      2      -0.223170
        Nuclear Contribution:
                  0    
      0       0.016067
      1      -0.232968
      2       0.297235
        Total Dipole moment:
                  0    
      0       0.021249
      1       0.066139
      2       0.074066
# -----------------------------------------------------------
$ 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) :        0.2223972773
        Electronic Contribution:
                  0    
      0       0.000205
      1       0.289602
      2      -0.232556
        Nuclear Contribution:
                  0    
      0       0.016067
      1      -0.232968
      2       0.297235
        Total Dipole moment:
                  0    
      0       0.016271
      1       0.056634
      2       0.064679
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     16.870000000000   14.880000000000   19.510000000000
               1 C     15.570000000000   14.240000000000   20.030000000000
               2 C     15.870000000000   12.840000000000   20.580000000000
               3 C     17.400000000000   12.580000000000   20.450000000000
               4 C     18.010000000000   13.920000000000   19.840000000000
               5 H     16.910000000000   15.900000000000   19.920000000000
               6 H     16.710000000000   14.960000000000   18.460000000000
               7 H     14.790000000000   14.310000000000   19.330000000000
               8 H     15.170000000000   14.900000000000   20.810000000000
               9 H     15.260000000000   12.160000000000   20.030000000000
              10 H     15.570000000000   12.660000000000   21.610000000000
              11 H     17.680000000000   11.810000000000   19.730000000000
              12 H     17.900000000000   12.430000000000   21.370000000000
              13 H     18.620000000000   13.650000000000   18.960000000000
              14 H     18.670000000000   14.430000000000   20.540000000000
              15 C     19.820000000000   16.640000000000   16.120000000000
              16 C     18.640000000000   16.040000000000   16.870000000000
              17 C     17.640000000000   17.300000000000   17.200000000000
              18 C     18.300000000000   18.550000000000   16.680000000000
              19 C     19.480000000000   18.080000000000   15.770000000000
              20 H     20.120000000000   16.050000000000   15.270000000000
              21 H     20.740000000000   16.670000000000   16.760000000000
              22 H     19.070000000000   15.620000000000   17.740000000000
              23 H     18.210000000000   15.290000000000   16.180000000000
              24 H     17.400000000000   17.370000000000   18.260000000000
              25 H     16.610000000000   17.200000000000   16.760000000000
              26 H     18.750000000000   19.000000000000   17.570000000000
              27 H     17.690000000000   19.340000000000   16.190000000000
              28 H     20.270000000000   18.750000000000   15.920000000000
              29 H     19.260000000000   18.250000000000   14.710000000000
              30 C     20.740000000000   18.670000000000   19.540000000000
              31 C     19.730000000000   17.540000000000   19.940000000000
              32 C     20.500000000000   16.690000000000   20.920000000000
              33 C     21.890000000000   17.270000000000   21.150000000000
              34 C     22.130000000000   18.490000000000   20.210000000000
              35 H     20.250000000000   19.620000000000   19.670000000000
              36 H     20.940000000000   18.620000000000   18.420000000000
              37 H     19.480000000000   16.910000000000   19.090000000000
              38 H     18.860000000000   17.990000000000   20.450000000000
              39 H     20.560000000000   15.670000000000   20.480000000000
              40 H     19.950000000000   16.390000000000   21.830000000000
              41 H     22.710000000000   16.460000000000   21.060000000000
              42 H     22.020000000000   17.480000000000   22.200000000000
              43 H     22.870000000000   18.250000000000   19.470000000000
              44 H     22.370000000000   19.300000000000   20.910000000000
              45 C     21.720000000000   17.420000000000   25.230000000000
              46 C     20.260000000000   17.070000000000   25.490000000000
              47 C     19.470000000000   18.360000000000   25.400000000000
              48 C     20.520000000000   19.490000000000   25.600000000000
              49 C     21.940000000000   18.950000000000   25.340000000000
              50 H     21.990000000000   16.950000000000   24.300000000000
              51 H     22.270000000000   16.910000000000   26.040000000000
              52 H     20.250000000000   16.730000000000   26.520000000000
              53 H     19.760000000000   16.190000000000   24.970000000000
              54 H     18.710000000000   18.340000000000   26.240000000000
              55 H     19.020000000000   18.390000000000   24.380000000000
              56 H     20.490000000000   19.970000000000   26.570000000000
              57 H     20.370000000000   20.230000000000   24.870000000000
              58 H     22.650000000000   19.110000000000   26.130000000000
              59 H     22.320000000000   19.520000000000   24.430000000000
              60 C     25.820000000000   17.740000000000   22.000000000000
              61 C     25.690000000000   17.650000000000   23.530000000000
              62 C     27.100000000000   17.410000000000   24.180000000000
              63 C     28.040000000000   17.150000000000   23.000000000000
              64 C     27.340000000000   17.580000000000   21.690000000000
              65 H     25.350000000000   18.610000000000   21.530000000000
              66 H     25.380000000000   16.780000000000   21.640000000000
              67 H     24.940000000000   16.870000000000   23.880000000000
              68 H     25.310000000000   18.610000000000   23.820000000000
              69 H     27.030000000000   16.530000000000   24.810000000000
              70 H     27.380000000000   18.270000000000   24.790000000000
              71 H     28.340000000000   16.130000000000   22.970000000000
              72 H     28.920000000000   17.790000000000   23.090000000000
              73 H     27.410000000000   16.800000000000   20.890000000000
              74 H     27.760000000000   18.530000000000   21.360000000000
              75 C     22.300000000000   22.410000000000   22.600000000000
              76 C     23.570000000000   21.590000000000   22.310000000000
              77 C     24.640000000000   22.570000000000   21.770000000000
              78 C     24.010000000000   23.940000000000   21.650000000000
              79 C     22.630000000000   23.900000000000   22.230000000000
              80 H     22.020000000000   22.300000000000   23.670000000000
              81 H     21.480000000000   22.180000000000   21.980000000000
              82 H     23.320000000000   20.820000000000   21.590000000000
              83 H     23.960000000000   21.050000000000   23.200000000000
              84 H     24.960000000000   22.270000000000   20.740000000000
              85 H     25.410000000000   22.550000000000   22.570000000000
              86 H     23.800000000000   24.260000000000   20.610000000000
              87 H     24.580000000000   24.660000000000   22.290000000000
              88 H     22.060000000000   24.320000000000   21.400000000000
              89 H     22.650000000000   24.520000000000   23.050000000000
