-------------------------------------------------------------
----------------------- !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:    -1171.2212606633
# -----------------------------------------------------------
$ 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     6.1755     6.0000    -0.1755     3.8863     3.8863     0.0000
  1   0     6.1249     6.0000    -0.1249     3.9208     3.9208    -0.0000
  2   0     6.1337     6.0000    -0.1337     3.9080     3.9080    -0.0000
  3   0     6.2091     6.0000    -0.2091     3.9067     3.9067    -0.0000
  4   0     6.1725     6.0000    -0.1725     3.8967     3.8967     0.0000
  5   0     0.9279     1.0000     0.0721     0.9820     0.9820     0.0000
  6   0     0.9201     1.0000     0.0799     0.9736     0.9736     0.0000
  7   0     0.9096     1.0000     0.0904     0.9843     0.9843    -0.0000
  8   0     0.9282     1.0000     0.0718     0.9781     0.9781    -0.0000
  9   0     0.9119     1.0000     0.0881     0.9734     0.9734    -0.0000
 10   0     0.9294     1.0000     0.0706     0.9819     0.9819    -0.0000
 11   0     0.9192     1.0000     0.0808     0.9709     0.9709    -0.0000
 12   0     0.9045     1.0000     0.0955     0.9727     0.9727    -0.0000
 13   0     0.9242     1.0000     0.0758     0.9816     0.9816    -0.0000
 14   0     0.9106     1.0000     0.0894     0.9724     0.9724    -0.0000
 15   0     6.1735     6.0000    -0.1735     3.9146     3.9146    -0.0000
 16   0     6.1348     6.0000    -0.1348     3.9202     3.9202    -0.0000
 17   0     6.1365     6.0000    -0.1365     3.9067     3.9067    -0.0000
 18   0     6.1800     6.0000    -0.1800     3.9107     3.9107     0.0000
 19   0     6.1764     6.0000    -0.1764     3.8445     3.8445    -0.0000
 20   0     0.9195     1.0000     0.0805     0.9748     0.9748    -0.0000
 21   0     0.9177     1.0000     0.0823     0.9858     0.9858     0.0000
 22   0     0.9220     1.0000     0.0780     0.9806     0.9806     0.0000
 23   0     0.9155     1.0000     0.0845     0.9773     0.9773     0.0000
 24   0     0.9190     1.0000     0.0810     0.9760     0.9760    -0.0000
 25   0     0.9299     1.0000     0.0701     0.9826     0.9826     0.0000
 26   0     0.9244     1.0000     0.0756     0.9798     0.9798     0.0000
 27   0     0.9088     1.0000     0.0912     0.9710     0.9710     0.0000
 28   0     0.9128     1.0000     0.0872     0.9751     0.9751    -0.0000
 29   0     0.9267     1.0000     0.0733     0.9867     0.9867    -0.0000
 30   0     6.1319     6.0000    -0.1319     3.8608     3.8608    -0.0000
 31   0     6.1759     6.0000    -0.1759     3.8804     3.8804    -0.0000
 32   0     6.1763     6.0000    -0.1763     3.8856     3.8856    -0.0000
 33   0     6.1572     6.0000    -0.1572     3.8993     3.8993     0.0000
 34   0     6.1852     6.0000    -0.1852     3.8896     3.8896     0.0000
 35   0     0.9164     1.0000     0.0836     0.9747     0.9747    -0.0000
 36   0     0.9413     1.0000     0.0587     0.9890     0.9890     0.0000
 37   0     0.9134     1.0000     0.0866     0.9708     0.9708     0.0000
 38   0     0.9109     1.0000     0.0891     0.9711     0.9711     0.0000
 39   0     0.9150     1.0000     0.0850     0.9744     0.9744    -0.0000
 40   0     0.9112     1.0000     0.0888     0.9715     0.9715    -0.0000
 41   0     0.9138     1.0000     0.0862     0.9750     0.9750    -0.0000
 42   0     0.9101     1.0000     0.0899     0.9738     0.9738    -0.0000
 43   0     0.9256     1.0000     0.0744     0.9741     0.9741    -0.0000
 44   0     0.9105     1.0000     0.0895     0.9710     0.9710     0.0000
 45   0     6.1284     6.0000    -0.1284     3.8957     3.8957    -0.0000
 46   0     6.1197     6.0000    -0.1197     3.9046     3.9046    -0.0000
 47   0     6.1790     6.0000    -0.1790     3.9066     3.9066    -0.0000
 48   0     6.1632     6.0000    -0.1632     3.9098     3.9098    -0.0000
 49   0     6.1546     6.0000    -0.1546     3.8913     3.8913    -0.0000
 50   0     0.9701     1.0000     0.0299     1.0047     1.0047     0.0000
 51   0     0.9295     1.0000     0.0705     0.9805     0.9805    -0.0000
 52   0     0.9330     1.0000     0.0670     0.9773     0.9773    -0.0000
 53   0     0.9116     1.0000     0.0884     0.9741     0.9741     0.0000
 54   0     0.9264     1.0000     0.0736     0.9718     0.9718    -0.0000
 55   0     0.9188     1.0000     0.0812     0.9772     0.9772     0.0000
 56   0     0.9123     1.0000     0.0877     0.9786     0.9786    -0.0000
 57   0     0.9213     1.0000     0.0787     0.9749     0.9749    -0.0000
 58   0     0.8999     1.0000     0.1001     0.9747     0.9747    -0.0000
 59   0     0.9371     1.0000     0.0629     0.9801     0.9801     0.0000
 60   0     6.0577     6.0000    -0.0577     3.8749     3.8749    -0.0000
 61   0     6.2192     6.0000    -0.2192     3.8957     3.8957    -0.0000
 62   0     6.1534     6.0000    -0.1534     3.8436     3.8436    -0.0000
 63   0     6.1537     6.0000    -0.1537     3.9200     3.9200    -0.0000
 64   0     6.1823     6.0000    -0.1823     3.9142     3.9142    -0.0000
 65   0     0.9257     1.0000     0.0743     0.9906     0.9906    -0.0000
 66   0     0.9642     1.0000     0.0358     1.0058     1.0058    -0.0000
 67   0     0.9284     1.0000     0.0716     0.9728     0.9728    -0.0000
 68   0     0.9174     1.0000     0.0826     0.9667     0.9667    -0.0000
 69   0     0.9135     1.0000     0.0865     0.9604     0.9604    -0.0000
 70   0     0.9199     1.0000     0.0801     0.9730     0.9730    -0.0000
 71   0     0.9149     1.0000     0.0851     0.9750     0.9750     0.0000
 72   0     0.9110     1.0000     0.0890     0.9744     0.9744    -0.0000
 73   0     0.9038     1.0000     0.0962     0.9773     0.9773    -0.0000
 74   0     0.9198     1.0000     0.0802     0.9768     0.9768    -0.0000
 75   0     6.1417     6.0000    -0.1417     3.8886     3.8886     0.0000
 76   0     6.1183     6.0000    -0.1183     3.8508     3.8508     0.0000
 77   0     6.1439     6.0000    -0.1439     3.8912     3.8912    -0.0000
 78   0     6.1541     6.0000    -0.1541     3.9170     3.9170     0.0000
 79   0     6.1729     6.0000    -0.1729     3.9402     3.9402     0.0000
 80   0     0.9458     1.0000     0.0542     0.9985     0.9985     0.0000
 81   0     0.9239     1.0000     0.0761     0.9730     0.9730     0.0000
 82   0     0.9951     1.0000     0.0049     1.0294     1.0294    -0.0000
 83   0     0.9263     1.0000     0.0737     0.9736     0.9736    -0.0000
 84   0     0.9157     1.0000     0.0843     0.9767     0.9767    -0.0000
 85   0     0.9209     1.0000     0.0791     0.9773     0.9773     0.0000
 86   0     0.9187     1.0000     0.0813     0.9768     0.9768    -0.0000
 87   0     0.9186     1.0000     0.0814     0.9786     0.9786     0.0000
 88   0     0.9133     1.0000     0.0867     0.9736     0.9736    -0.0000
 89   0     0.9077     1.0000     0.0923     0.9722     0.9722     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                0.965766
                0             6               4            6                0.977443
                0             6               5            1                0.995894
                0             6               6            1                0.984219
                1             6               2            6                0.989360
                1             6               7            1                0.988572
                1             6               8            1                1.001609
                2             6               3            6                0.977929
                2             6               9            1                0.983293
                2             6              10            1                0.998099
                3             6               4            6                0.969920
                3             6              11            1                0.995962
                3             6              12            1                0.992601
                4             6              13            1                0.997863
                4             6              14            1                0.986140
               15             6              16            6                0.988001
               15             6              19            6                0.949996
               15             6              20            1                0.995957
               15             6              21            1                0.999935
               16             6              17            6                0.984791
               16             6              22            1                0.991776
               16             6              23            1                0.990825
               17             6              18            6                0.973779
               17             6              24            1                0.992557
               17             6              25            1                1.000803
               18             6              19            6                0.976751
               18             6              26            1                0.995115
               18             6              27            1                0.986725
               19             6              28            1                0.991727
               19             6              29            1                0.992394
               30             6              31            6                0.961143
               30             6              34            6                0.967909
               30             6              35            1                0.994146
               30             6              36            1                0.989282
               31             6              32            6                0.958674
               31             6              37            1                0.997908
               31             6              38            1                0.996835
               32             6              33            6                0.976836
               32             6              39            1                0.994048
               32             6              40            1                0.991524
               33             6              34            6                0.967832
               33             6              41            1                0.993257
               33             6              42            1                0.990542
               34             6              43            1                0.992274
               34             6              44            1                0.988452
               45             6              46            6                0.955469
               45             6              49            6                0.969891
               45             6              50            1                1.008304
               45             6              51            1                1.004009
               46             6              47            6                0.982277
               46             6              52            1                1.000419
               46             6              53            1                0.991106
               47             6              48            6                0.973236
               47             6              54            1                0.994074
               47             6              55            1                0.993350
               48             6              49            6                0.972360
               48             6              56            1                0.988772
               48             6              57            1                0.998881
               49             6              58            1                0.978416
               49             6              59            1                0.997028
               60             6              61            6                0.962561
               60             6              64            6                0.968349
               60             6              65            1                0.999709
               60             6              66            1                0.996251
               61             6              62            6                0.955770
               61             6              67            1                0.989265
               61             6              68            1                0.999775
               62             6              63            6                0.970491
               62             6              69            1                0.989239
               62             6              70            1                0.997880
               63             6              64            6                0.979540
               63             6              71            1                0.996377
               63             6              72            1                0.995150
               64             6              73            1                0.992560
               64             6              74            1                0.996924
               75             6              76            6                0.959988
               75             6              79            6                0.981908
               75             6              80            1                0.986133
               75             6              81            1                0.991121
               76             6              77            6                0.946386
               76             6              82            1                1.006748
               76             6              83            1                0.998655
               77             6              78            6                0.975510
               77             6              84            1                0.993404
               77             6              85            1                0.997472
               78             6              79            6                0.990036
               78             6              86            1                0.990893
               78             6              87            1                0.991396
               79             6              88            1                0.987242
               79             6              89            1                0.991130
# -----------------------------------------------------------
$ 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     6.1838     6.0000    -0.1838     4.0002     3.6747     0.3255
  1   0     6.1323     6.0000    -0.1323     4.0249     3.7164     0.3085
  2   0     6.1415     6.0000    -0.1415     4.0143     3.6990     0.3153
  3   0     6.2169     6.0000    -0.2169     4.0201     3.6878     0.3323
  4   0     6.1803     6.0000    -0.1803     4.0087     3.6757     0.3330
  5   0     0.9235     1.0000     0.0765     0.9912     0.9401     0.0511
  6   0     0.9162     1.0000     0.0838     0.9835     0.9295     0.0540
  7   0     0.9058     1.0000     0.0942     0.9934     0.9451     0.0483
  8   0     0.9243     1.0000     0.0757     0.9877     0.9370     0.0507
  9   0     0.9081     1.0000     0.0919     0.9828     0.9308     0.0520
 10   0     0.9254     1.0000     0.0746     0.9916     0.9408     0.0508
 11   0     0.9155     1.0000     0.0845     0.9806     0.9259     0.0547
 12   0     0.9007     1.0000     0.0993     0.9818     0.9303     0.0515
 13   0     0.9204     1.0000     0.0796     0.9914     0.9364     0.0550
 14   0     0.9066     1.0000     0.0934     0.9814     0.9283     0.0531
 15   0     6.1810     6.0000    -0.1810     4.0250     3.7022     0.3228
 16   0     6.1428     6.0000    -0.1428     4.0267     3.7092     0.3175
 17   0     6.1443     6.0000    -0.1443     4.0135     3.7004     0.3131
 18   0     6.1881     6.0000    -0.1881     4.0219     3.7009     0.3210
 19   0     6.1844     6.0000    -0.1844     3.9597     3.6294     0.3303
 20   0     0.9156     1.0000     0.0844     0.9842     0.9325     0.0517
 21   0     0.9138     1.0000     0.0862     0.9951     0.9440     0.0511
 22   0     0.9181     1.0000     0.0819     0.9899     0.9383     0.0516
 23   0     0.9117     1.0000     0.0883     0.9866     0.9365     0.0501
 24   0     0.9152     1.0000     0.0848     0.9854     0.9361     0.0493
 25   0     0.9260     1.0000     0.0740     0.9925     0.9420     0.0505
 26   0     0.9203     1.0000     0.0797     0.9892     0.9373     0.0519
 27   0     0.9049     1.0000     0.0951     0.9799     0.9289     0.0510
 28   0     0.9085     1.0000     0.0915     0.9840     0.9318     0.0522
 29   0     0.9230     1.0000     0.0770     0.9970     0.9405     0.0565
 30   0     6.1393     6.0000    -0.1393     3.9692     3.6463     0.3229
 31   0     6.1843     6.0000    -0.1843     3.9925     3.6724     0.3201
 32   0     6.1843     6.0000    -0.1843     3.9960     3.6738     0.3222
 33   0     6.1649     6.0000    -0.1649     4.0083     3.6851     0.3232
 34   0     6.1926     6.0000    -0.1926     4.0013     3.6742     0.3271
 35   0     0.9122     1.0000     0.0878     0.9839     0.9307     0.0532
 36   0     0.9381     1.0000     0.0619     1.0004     0.9451     0.0553
 37   0     0.9094     1.0000     0.0906     0.9800     0.9270     0.0530
 38   0     0.9067     1.0000     0.0933     0.9801     0.9298     0.0503
 39   0     0.9112     1.0000     0.0888     0.9837     0.9328     0.0509
 40   0     0.9073     1.0000     0.0927     0.9807     0.9280     0.0527
 41   0     0.9100     1.0000     0.0900     0.9842     0.9323     0.0519
 42   0     0.9063     1.0000     0.0937     0.9831     0.9301     0.0530
 43   0     0.9221     1.0000     0.0779     0.9847     0.9303     0.0544
 44   0     0.9065     1.0000     0.0935     0.9803     0.9287     0.0516
 45   0     6.1367     6.0000    -0.1367     4.0047     3.6832     0.3215
 46   0     6.1277     6.0000    -0.1277     4.0091     3.7012     0.3079
 47   0     6.1867     6.0000    -0.1867     4.0156     3.6949     0.3207
 48   0     6.1708     6.0000    -0.1708     4.0181     3.6960     0.3221
 49   0     6.1617     6.0000    -0.1617     4.0000     3.6763     0.3237
 50   0     0.9660     1.0000     0.0340     1.0159     0.9595     0.0564
 51   0     0.9253     1.0000     0.0747     0.9899     0.9396     0.0503
 52   0     0.9289     1.0000     0.0711     0.9869     0.9356     0.0513
 53   0     0.9079     1.0000     0.0921     0.9833     0.9346     0.0487
 54   0     0.9226     1.0000     0.0774     0.9818     0.9275     0.0543
 55   0     0.9150     1.0000     0.0850     0.9867     0.9356     0.0511
 56   0     0.9087     1.0000     0.0913     0.9880     0.9357     0.0523
 57   0     0.9175     1.0000     0.0825     0.9846     0.9354     0.0492
 58   0     0.8961     1.0000     0.1039     0.9836     0.9325     0.0511
 59   0     0.9331     1.0000     0.0669     0.9901     0.9340     0.0561
 60   0     6.0663     6.0000    -0.0663     3.9816     3.6648     0.3168
 61   0     6.2270     6.0000    -0.2270     4.0089     3.6840     0.3249
 62   0     6.1621     6.0000    -0.1621     3.9564     3.6354     0.3210
 63   0     6.1625     6.0000    -0.1625     4.0292     3.7094     0.3198
 64   0     6.1904     6.0000    -0.1904     4.0245     3.7010     0.3235
 65   0     0.9208     1.0000     0.0792     0.9987     0.9491     0.0496
 66   0     0.9606     1.0000     0.0394     1.0173     0.9610     0.0563
 67   0     0.9241     1.0000     0.0759     0.9824     0.9281     0.0543
 68   0     0.9129     1.0000     0.0871     0.9756     0.9232     0.0524
 69   0     0.9092     1.0000     0.0908     0.9695     0.9167     0.0528
 70   0     0.9153     1.0000     0.0847     0.9822     0.9323     0.0499
 71   0     0.9110     1.0000     0.0890     0.9841     0.9295     0.0546
 72   0     0.9068     1.0000     0.0932     0.9832     0.9349     0.0483
 73   0     0.9000     1.0000     0.1000     0.9861     0.9328     0.0533
 74   0     0.9157     1.0000     0.0843     0.9861     0.9321     0.0540
 75   0     6.1493     6.0000    -0.1493     3.9970     3.6737     0.3233
 76   0     6.1249     6.0000    -0.1249     3.9565     3.6369     0.3196
 77   0     6.1517     6.0000    -0.1517     3.9980     3.6841     0.3139
 78   0     6.1616     6.0000    -0.1616     4.0238     3.7061     0.3177
 79   0     6.1812     6.0000    -0.1812     4.0494     3.7231     0.3263
 80   0     0.9415     1.0000     0.0585     1.0084     0.9520     0.0564
 81   0     0.9197     1.0000     0.0803     0.9824     0.9282     0.0542
 82   0     0.9919     1.0000     0.0081     1.0425     0.9851     0.0574
 83   0     0.9223     1.0000     0.0777     0.9834     0.9293     0.0541
 84   0     0.9119     1.0000     0.0881     0.9859     0.9338     0.0521
 85   0     0.9170     1.0000     0.0830     0.9867     0.9367     0.0500
 86   0     0.9148     1.0000     0.0852     0.9862     0.9352     0.0510
 87   0     0.9147     1.0000     0.0853     0.9879     0.9356     0.0523
 88   0     0.9095     1.0000     0.0905     0.9828     0.9268     0.0560
 89   0     0.9039     1.0000     0.0961     0.9813     0.9278     0.0535
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.904496
                0             6               4            6                0.914316
                0             6               5            1                0.955154
                0             6               6            1                0.941184
                1             6               2            6                0.927718
                1             6               7            1                0.950998
                1             6               8            1                0.961611
                2             6               3            6                0.914619
                2             6               9            1                0.942097
                2             6              10            1                0.958184
                3             6               4            6                0.902214
                3             6              11            1                0.951951
                3             6              12            1                0.951557
                4             6              13            1                0.953627
                4             6              14            1                0.943460
               15             6              16            6                0.924382
               15             6              19            6                0.886787
               15             6              20            1                0.954560
               15             6              21            1                0.959254
               16             6              17            6                0.921013
               16             6              22            1                0.950852
               16             6              23            1                0.951408
               17             6              18            6                0.912109
               17             6              24            1                0.953966
               17             6              25            1                0.961287
               18             6              19            6                0.914385
               18             6              26            1                0.953904
               18             6              27            1                0.945937
               19             6              28            1                0.949479
               19             6              29            1                0.947408
               30             6              31            6                0.900365
               30             6              34            6                0.902958
               30             6              35            1                0.951008
               30             6              36            1                0.946591
               31             6              32            6                0.896901
               31             6              37            1                0.955338
               31             6              38            1                0.956695
               32             6              33            6                0.912892
               32             6              39            1                0.953711
               32             6              40            1                0.949275
               33             6              34            6                0.904471
               33             6              41            1                0.951776
               33             6              42            1                0.948242
               34             6              43            1                0.949489
               34             6              44            1                0.947299
               45             6              46            6                0.892845
               45             6              49            6                0.907737
               45             6              50            1                0.963924
               45             6              51            1                0.963789
               46             6              47            6                0.923666
               46             6              52            1                0.959693
               46             6              53            1                0.952937
               47             6              48            6                0.906470
               47             6              54            1                0.950895
               47             6              55            1                0.953125
               48             6              49            6                0.908850
               48             6              56            1                0.947360
               48             6              57            1                0.960290
               49             6              58            1                0.937664
               49             6              59            1                0.951842
               60             6              61            6                0.901326
               60             6              64            6                0.907207
               60             6              65            1                0.958815
               60             6              66            1                0.952618
               61             6              62            6                0.895060
               61             6              67            1                0.945683
               61             6              68            1                0.956798
               62             6              63            6                0.907712
               62             6              69            1                0.946533
               62             6              70            1                0.957998
               63             6              64            6                0.917656
               63             6              71            1                0.952229
               63             6              72            1                0.956893
               64             6              73            1                0.949431
               64             6              74            1                0.953454
               75             6              76            6                0.897412
               75             6              79            6                0.921464
               75             6              80            1                0.941445
               75             6              81            1                0.947171
               76             6              77            6                0.884467
               76             6              82            1                0.963770
               76             6              83            1                0.954896
               77             6              78            6                0.914598
               77             6              84            1                0.951967
               77             6              85            1                0.958135
               78             6              79            6                0.925497
               78             6              86            1                0.950646
               78             6              87            1                0.949866
               79             6              88            1                0.942029
               79             6              89            1                0.948015
# -----------------------------------------------------------
$ 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     6.2374     6.0000    -0.2374     3.9960     3.6749     0.3211
  1   0     6.1863     6.0000    -0.1863     4.0044     3.6998     0.3046
  2   0     6.1920     6.0000    -0.1920     4.0033     3.6920     0.3113
  3   0     6.2573     6.0000    -0.2573     4.0044     3.6764     0.3280
  4   0     6.2319     6.0000    -0.2319     4.0017     3.6732     0.3285
  5   0     0.8928     1.0000     0.1072     0.9808     0.9310     0.0498
  6   0     0.8936     1.0000     0.1064     0.9784     0.9256     0.0528
  7   0     0.8821     1.0000     0.1179     0.9841     0.9369     0.0472
  8   0     0.8984     1.0000     0.1016     0.9784     0.9288     0.0496
  9   0     0.8872     1.0000     0.1128     0.9763     0.9252     0.0511
 10   0     0.8996     1.0000     0.1004     0.9816     0.9319     0.0497
 11   0     0.8903     1.0000     0.1097     0.9718     0.9182     0.0536
 12   0     0.8778     1.0000     0.1222     0.9728     0.9223     0.0505
 13   0     0.8925     1.0000     0.1075     0.9822     0.9286     0.0536
 14   0     0.8835     1.0000     0.1165     0.9733     0.9212     0.0521
 15   0     6.2325     6.0000    -0.2325     4.0133     3.6945     0.3188
 16   0     6.1940     6.0000    -0.1940     4.0067     3.6931     0.3136
 17   0     6.2012     6.0000    -0.2012     3.9926     3.6831     0.3095
 18   0     6.2378     6.0000    -0.2378     4.0049     3.6882     0.3167
 19   0     6.2394     6.0000    -0.2394     3.9655     3.6398     0.3257
 20   0     0.8903     1.0000     0.1097     0.9760     0.9255     0.0505
 21   0     0.8838     1.0000     0.1162     0.9841     0.9343     0.0498
 22   0     0.8941     1.0000     0.1059     0.9814     0.9308     0.0506
 23   0     0.8887     1.0000     0.1113     0.9793     0.9302     0.0491
 24   0     0.8903     1.0000     0.1097     0.9781     0.9298     0.0483
 25   0     0.8970     1.0000     0.1030     0.9813     0.9319     0.0494
 26   0     0.8918     1.0000     0.1082     0.9792     0.9285     0.0507
 27   0     0.8819     1.0000     0.1181     0.9730     0.9230     0.0500
 28   0     0.8855     1.0000     0.1145     0.9768     0.9258     0.0510
 29   0     0.8912     1.0000     0.1088     0.9849     0.9300     0.0549
 30   0     6.1941     6.0000    -0.1941     3.9538     3.6353     0.3185
 31   0     6.2350     6.0000    -0.2350     3.9742     3.6584     0.3158
 32   0     6.2367     6.0000    -0.2367     3.9824     3.6642     0.3182
 33   0     6.2120     6.0000    -0.2120     3.9880     3.6689     0.3191
 34   0     6.2440     6.0000    -0.2440     3.9895     3.6667     0.3228
 35   0     0.8857     1.0000     0.1143     0.9750     0.9230     0.0520
 36   0     0.9089     1.0000     0.0911     0.9943     0.9404     0.0539
 37   0     0.8835     1.0000     0.1165     0.9730     0.9212     0.0518
 38   0     0.8824     1.0000     0.1176     0.9728     0.9236     0.0492
 39   0     0.8851     1.0000     0.1149     0.9752     0.9255     0.0497
 40   0     0.8846     1.0000     0.1154     0.9731     0.9214     0.0517
 41   0     0.8847     1.0000     0.1153     0.9769     0.9262     0.0507
 42   0     0.8841     1.0000     0.1159     0.9758     0.9238     0.0520
 43   0     0.8940     1.0000     0.1060     0.9798     0.9268     0.0530
 44   0     0.8814     1.0000     0.1186     0.9734     0.9230     0.0504
 45   0     6.2102     6.0000    -0.2102     3.9899     3.6722     0.3177
 46   0     6.1860     6.0000    -0.1860     3.9873     3.6832     0.3041
 47   0     6.2324     6.0000    -0.2324     3.9925     3.6759     0.3166
 48   0     6.2209     6.0000    -0.2209     3.9935     3.6753     0.3182
 49   0     6.2121     6.0000    -0.2121     3.9917     3.6724     0.3193
 50   0     0.9169     1.0000     0.0831     1.0023     0.9479     0.0544
 51   0     0.8977     1.0000     0.1023     0.9798     0.9307     0.0491
 52   0     0.9000     1.0000     0.1000     0.9777     0.9275     0.0502
 53   0     0.8844     1.0000     0.1156     0.9784     0.9307     0.0477
 54   0     0.8970     1.0000     0.1030     0.9737     0.9205     0.0532
 55   0     0.8894     1.0000     0.1106     0.9785     0.9285     0.0500
 56   0     0.8846     1.0000     0.1154     0.9793     0.9280     0.0513
 57   0     0.8911     1.0000     0.1089     0.9769     0.9288     0.0481
 58   0     0.8745     1.0000     0.1255     0.9782     0.9281     0.0501
 59   0     0.9044     1.0000     0.0956     0.9828     0.9280     0.0548
 60   0     6.1459     6.0000    -0.1459     3.9798     3.6670     0.3128
 61   0     6.2592     6.0000    -0.2592     3.9700     3.6503     0.3197
 62   0     6.2234     6.0000    -0.2234     3.9375     3.6207     0.3168
 63   0     6.2086     6.0000    -0.2086     3.9985     3.6830     0.3155
 64   0     6.2321     6.0000    -0.2321     4.0149     3.6962     0.3187
 65   0     0.8853     1.0000     0.1147     0.9855     0.9375     0.0480
 66   0     0.9336     1.0000     0.0664     1.0127     0.9579     0.0548
 67   0     0.8991     1.0000     0.1009     0.9791     0.9261     0.0530
 68   0     0.8845     1.0000     0.1155     0.9675     0.9164     0.0511
 69   0     0.8826     1.0000     0.1174     0.9649     0.9135     0.0514
 70   0     0.8906     1.0000     0.1094     0.9760     0.9274     0.0486
 71   0     0.8857     1.0000     0.1143     0.9759     0.9225     0.0534
 72   0     0.8841     1.0000     0.1159     0.9776     0.9304     0.0472
 73   0     0.8788     1.0000     0.1212     0.9790     0.9268     0.0522
 74   0     0.8922     1.0000     0.1078     0.9786     0.9257     0.0529
 75   0     6.2064     6.0000    -0.2064     3.9974     3.6787     0.3187
 76   0     6.1818     6.0000    -0.1818     3.9425     3.6274     0.3151
 77   0     6.2042     6.0000    -0.2042     3.9802     3.6704     0.3098
 78   0     6.2142     6.0000    -0.2142     4.0101     3.6964     0.3137
 79   0     6.2215     6.0000    -0.2215     4.0322     3.7106     0.3216
 80   0     0.9079     1.0000     0.0921     0.9967     0.9418     0.0549
 81   0     0.8967     1.0000     0.1033     0.9764     0.9234     0.0530
 82   0     0.9579     1.0000     0.0421     1.0334     0.9775     0.0559
 83   0     0.8963     1.0000     0.1037     0.9752     0.9224     0.0528
 84   0     0.8860     1.0000     0.1140     0.9769     0.9259     0.0510
 85   0     0.8911     1.0000     0.1089     0.9780     0.9290     0.0490
 86   0     0.8908     1.0000     0.1092     0.9784     0.9284     0.0500
 87   0     0.8895     1.0000     0.1105     0.9790     0.9278     0.0512
 88   0     0.8872     1.0000     0.1128     0.9751     0.9201     0.0550
 89   0     0.8828     1.0000     0.1172     0.9747     0.9222     0.0525
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.913588
                0             6               4            6                0.929368
                0             6               5            1                0.943402
                0             6               6            1                0.926301
                1             6               2            6                0.933724
                1             6               7            1                0.939766
                1             6               8            1                0.946367
                2             6               3            6                0.928195
                2             6               9            1                0.929863
                2             6              10            1                0.944179
                3             6               4            6                0.909168
                3             6              11            1                0.937305
                3             6              12            1                0.936381
                4             6              13            1                0.936869
                4             6              14            1                0.929889
               15             6              16            6                0.930918
               15             6              19            6                0.905163
               15             6              20            1                0.941317
               15             6              21            1                0.942747
               16             6              17            6                0.927121
               16             6              22            1                0.936301
               16             6              23            1                0.939126
               17             6              18            6                0.919270
               17             6              24            1                0.941797
               17             6              25            1                0.946692
               18             6              19            6                0.923879
               18             6              26            1                0.939968
               18             6              27            1                0.932959
               19             6              28            1                0.937348
               19             6              29            1                0.931637
               30             6              31            6                0.909975
               30             6              34            6                0.908558
               30             6              35            1                0.936957
               30             6              36            1                0.934909
               31             6              32            6                0.904446
               31             6              37            1                0.940641
               31             6              38            1                0.942643
               32             6              33            6                0.919282
               32             6              39            1                0.942298
               32             6              40            1                0.935011
               33             6              34            6                0.913141
               33             6              41            1                0.940319
               33             6              42            1                0.933364
               34             6              43            1                0.938055
               34             6              44            1                0.935284
               45             6              46            6                0.896715
               45             6              49            6                0.918547
               45             6              50            1                0.947411
               45             6              51            1                0.951350
               46             6              47            6                0.933352
               46             6              52            1                0.947268
               46             6              53            1                0.940611
               47             6              48            6                0.908774
               47             6              54            1                0.937045
               47             6              55            1                0.940422
               48             6              49            6                0.916773
               48             6              56            1                0.932564
               48             6              57            1                0.950826
               49             6              58            1                0.927435
               49             6              59            1                0.940046
               60             6              61            6                0.907020
               60             6              64            6                0.924560
               60             6              65            1                0.947528
               60             6              66            1                0.937409
               61             6              62            6                0.897002
               61             6              67            1                0.931171
               61             6              68            1                0.940594
               62             6              63            6                0.912476
               62             6              69            1                0.928875
               62             6              70            1                0.945559
               63             6              64            6                0.925957
               63             6              71            1                0.930456
               63             6              72            1                0.947035
               64             6              73            1                0.931374
               64             6              74            1                0.938246
               75             6              76            6                0.910484
               75             6              79            6                0.937208
               75             6              80            1                0.926303
               75             6              81            1                0.933207
               76             6              77            6                0.894784
               76             6              82            1                0.947913
               76             6              83            1                0.939482
               77             6              78            6                0.923183
               77             6              84            1                0.936641
               77             6              85            1                0.945922
               78             6              79            6                0.935671
               78             6              86            1                0.937840
               78             6              87            1                0.935796
               79             6              88            1                0.925365
               79             6              89            1                0.932648
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2212606633
        Correlation Energy:       -5.0719628211
        Total MP2 Energy:      -1176.2932234844
# -----------------------------------------------------------
$ 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) :        0.4224372613
        Electronic Contribution:
                  0    
      0      -0.247689
      1      -0.688321
      2      -0.067706
        Nuclear Contribution:
                  0    
      0       0.136568
      1       0.811372
      2       0.056234
        Total Dipole moment:
                  0    
      0      -0.111121
      1       0.123051
      2      -0.011472
# -----------------------------------------------------------
$ 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) :        0.4230264130
        Electronic Contribution:
                  0    
      0      -0.247747
      1      -0.688036
      2      -0.067439
        Nuclear Contribution:
                  0    
      0       0.136568
      1       0.811372
      2       0.056234
        Total Dipole moment:
                  0    
      0      -0.111180
      1       0.123336
      2      -0.011206
# -----------------------------------------------------------
$ 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) :        0.3687523273
        Electronic Contribution:
                  0    
      0      -0.226477
      1      -0.697518
      2      -0.055712
        Nuclear Contribution:
                  0    
      0       0.136568
      1       0.811372
      2       0.056234
        Total Dipole moment:
                  0    
      0      -0.089910
      1       0.113854
      2       0.000521
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     17.020000000000   21.020000000000   22.160000000000
               1 C     15.620000000000   20.910000000000   22.780000000000
               2 C     15.730000000000   21.600000000000   24.120000000000
               3 C     16.960000000000   22.550000000000   24.090000000000
               4 C     17.700000000000   22.300000000000   22.690000000000
               5 H     16.960000000000   21.140000000000   21.100000000000
               6 H     17.650000000000   20.120000000000   22.360000000000
               7 H     15.200000000000   19.960000000000   22.870000000000
               8 H     14.950000000000   21.500000000000   22.200000000000
               9 H     15.790000000000   20.910000000000   24.990000000000
              10 H     14.860000000000   22.200000000000   24.180000000000
              11 H     17.660000000000   22.330000000000   24.940000000000
              12 H     16.810000000000   23.610000000000   24.280000000000
              13 H     18.770000000000   22.220000000000   23.000000000000
              14 H     17.610000000000   23.140000000000   21.950000000000
              15 C     16.990000000000   17.770000000000   19.980000000000
              16 C     16.110000000000   16.630000000000   19.400000000000
              17 C     15.940000000000   17.000000000000   17.910000000000
              18 C     17.160000000000   17.820000000000   17.470000000000
              19 C     17.590000000000   18.530000000000   18.750000000000
              20 H     17.720000000000   17.300000000000   20.610000000000
              21 H     16.520000000000   18.470000000000   20.650000000000
              22 H     15.110000000000   16.620000000000   19.830000000000
              23 H     16.570000000000   15.660000000000   19.460000000000
              24 H     15.030000000000   17.490000000000   17.730000000000
              25 H     15.880000000000   16.100000000000   17.370000000000
              26 H     16.790000000000   18.540000000000   16.750000000000
              27 H     17.940000000000   17.220000000000   16.990000000000
              28 H     17.250000000000   19.580000000000   18.700000000000
              29 H     18.720000000000   18.500000000000   18.850000000000
              30 C     22.790000000000   16.680000000000   19.460000000000
              31 C     23.820000000000   15.620000000000   19.790000000000
              32 C     23.130000000000   14.290000000000   20.140000000000
              33 C     21.600000000000   14.530000000000   20.010000000000
              34 C     21.380000000000   16.030000000000   19.620000000000
              35 H     22.910000000000   16.960000000000   18.390000000000
              36 H     22.890000000000   17.590000000000   20.060000000000
              37 H     24.510000000000   16.050000000000   20.540000000000
              38 H     24.480000000000   15.400000000000   18.980000000000
              39 H     23.400000000000   13.960000000000   21.120000000000
              40 H     23.410000000000   13.420000000000   19.500000000000
              41 H     21.140000000000   14.340000000000   20.980000000000
              42 H     21.180000000000   13.800000000000   19.270000000000
              43 H     20.830000000000   16.590000000000   20.380000000000
              44 H     20.810000000000   16.190000000000   18.710000000000
              45 C     19.970000000000   20.110000000000   16.220000000000
              46 C     19.510000000000   20.400000000000   14.780000000000
              47 C     20.560000000000   19.900000000000   13.870000000000
              48 C     21.620000000000   19.050000000000   14.710000000000
              49 C     21.320000000000   19.390000000000   16.200000000000
              50 H     19.190000000000   19.570000000000   16.820000000000
              51 H     20.030000000000   21.050000000000   16.680000000000
              52 H     19.490000000000   21.470000000000   14.720000000000
              53 H     18.540000000000   20.060000000000   14.580000000000
              54 H     21.110000000000   20.750000000000   13.390000000000
              55 H     20.200000000000   19.320000000000   13.040000000000
              56 H     22.630000000000   19.210000000000   14.290000000000
              57 H     21.420000000000   18.050000000000   14.540000000000
              58 H     22.120000000000   19.930000000000   16.730000000000
              59 H     21.130000000000   18.380000000000   16.670000000000
              60 C     21.170000000000   19.950000000000   20.140000000000
              61 C     20.370000000000   20.530000000000   21.270000000000
              62 C     21.370000000000   21.200000000000   22.140000000000
              63 C     22.710000000000   21.330000000000   21.390000000000
              64 C     22.580000000000   20.510000000000   20.130000000000
              65 H     20.610000000000   20.250000000000   19.290000000000
              66 H     21.100000000000   18.870000000000   20.300000000000
              67 H     19.800000000000   19.760000000000   21.850000000000
              68 H     19.710000000000   21.380000000000   21.020000000000
              69 H     21.430000000000   20.660000000000   23.100000000000
              70 H     21.000000000000   22.160000000000   22.380000000000
              71 H     23.530000000000   20.980000000000   22.100000000000
              72 H     22.950000000000   22.300000000000   21.100000000000
              73 H     23.440000000000   19.790000000000   20.090000000000
              74 H     22.710000000000   21.210000000000   19.260000000000
              75 C     22.370000000000   16.900000000000   23.350000000000
              76 C     23.140000000000   18.190000000000   23.550000000000
              77 C     23.780000000000   18.220000000000   24.950000000000
              78 C     22.970000000000   17.230000000000   25.740000000000
              79 C     22.320000000000   16.250000000000   24.700000000000
              80 H     22.870000000000   16.230000000000   22.560000000000
              81 H     21.360000000000   17.230000000000   23.000000000000
              82 H     22.490000000000   19.010000000000   23.300000000000
              83 H     23.900000000000   18.240000000000   22.760000000000
              84 H     23.770000000000   19.250000000000   25.330000000000
              85 H     24.810000000000   17.970000000000   24.890000000000
              86 H     22.280000000000   17.820000000000   26.320000000000
              87 H     23.670000000000   16.770000000000   26.450000000000
              88 H     21.240000000000   16.030000000000   25.070000000000
              89 H     22.890000000000   15.280000000000   24.720000000000
