-------------------------------------------------------------
----------------------- !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:    -1171.1980796054
# -----------------------------------------------------------
$ 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     6.1553     6.0000    -0.1553     3.8481     3.8481    -0.0000
  1   0     6.1853     6.0000    -0.1853     3.9020     3.9020    -0.0000
  2   0     6.1193     6.0000    -0.1193     3.9053     3.9053    -0.0000
  3   0     6.1514     6.0000    -0.1514     3.9075     3.9075     0.0000
  4   0     6.1726     6.0000    -0.1726     3.8979     3.8979    -0.0000
  5   0     0.9444     1.0000     0.0556     0.9975     0.9975    -0.0000
  6   0     0.9169     1.0000     0.0831     0.9735     0.9735    -0.0000
  7   0     0.9193     1.0000     0.0807     0.9757     0.9757    -0.0000
  8   0     0.9273     1.0000     0.0727     0.9786     0.9786    -0.0000
  9   0     0.9197     1.0000     0.0803     0.9810     0.9810     0.0000
 10   0     0.9295     1.0000     0.0705     0.9766     0.9766     0.0000
 11   0     0.9179     1.0000     0.0821     0.9750     0.9750    -0.0000
 12   0     0.9225     1.0000     0.0775     0.9768     0.9768     0.0000
 13   0     0.9213     1.0000     0.0787     0.9817     0.9817    -0.0000
 14   0     0.9017     1.0000     0.0983     0.9681     0.9681     0.0000
 15   0     6.1100     6.0000    -0.1100     3.9116     3.9116    -0.0000
 16   0     6.1677     6.0000    -0.1677     3.8872     3.8872    -0.0000
 17   0     6.1140     6.0000    -0.1140     3.8999     3.8999    -0.0000
 18   0     6.2141     6.0000    -0.2141     3.8705     3.8705    -0.0000
 19   0     6.2206     6.0000    -0.2206     3.9128     3.9128    -0.0000
 20   0     0.9222     1.0000     0.0778     0.9820     0.9820     0.0000
 21   0     0.9001     1.0000     0.0999     0.9736     0.9736    -0.0000
 22   0     0.9572     1.0000     0.0428     0.9806     0.9806    -0.0000
 23   0     0.9278     1.0000     0.0722     0.9794     0.9794     0.0000
 24   0     0.9197     1.0000     0.0803     0.9726     0.9726    -0.0000
 25   0     0.9196     1.0000     0.0804     0.9841     0.9841     0.0000
 26   0     0.9251     1.0000     0.0749     0.9819     0.9819    -0.0000
 27   0     0.8971     1.0000     0.1029     0.9710     0.9710    -0.0000
 28   0     0.8998     1.0000     0.1002     0.9710     0.9710    -0.0000
 29   0     0.9014     1.0000     0.0986     0.9719     0.9719    -0.0000
 30   0     6.1206     6.0000    -0.1206     3.8839     3.8839    -0.0000
 31   0     6.1522     6.0000    -0.1522     3.9064     3.9064    -0.0000
 32   0     6.1932     6.0000    -0.1932     3.9154     3.9154    -0.0000
 33   0     6.1312     6.0000    -0.1312     3.8687     3.8687    -0.0000
 34   0     6.1709     6.0000    -0.1709     3.9308     3.9308     0.0000
 35   0     0.9364     1.0000     0.0636     0.9776     0.9776    -0.0000
 36   0     0.9115     1.0000     0.0885     0.9747     0.9747     0.0000
 37   0     0.9189     1.0000     0.0811     0.9727     0.9727     0.0000
 38   0     0.9188     1.0000     0.0812     0.9784     0.9784    -0.0000
 39   0     0.9170     1.0000     0.0830     0.9780     0.9780    -0.0000
 40   0     0.9104     1.0000     0.0896     0.9687     0.9687    -0.0000
 41   0     0.9141     1.0000     0.0859     0.9739     0.9739     0.0000
 42   0     0.9584     1.0000     0.0416     0.9931     0.9931    -0.0000
 43   0     0.9295     1.0000     0.0705     0.9760     0.9760    -0.0000
 44   0     0.9174     1.0000     0.0826     0.9724     0.9724     0.0000
 45   0     6.1430     6.0000    -0.1430     3.8547     3.8547     0.0000
 46   0     6.1937     6.0000    -0.1937     3.9019     3.9019     0.0000
 47   0     6.0536     6.0000    -0.0536     3.8788     3.8788     0.0000
 48   0     6.1811     6.0000    -0.1811     3.8890     3.8890    -0.0000
 49   0     6.1924     6.0000    -0.1924     3.8878     3.8878    -0.0000
 50   0     0.9229     1.0000     0.0771     0.9758     0.9758     0.0000
 51   0     0.9267     1.0000     0.0733     0.9881     0.9881     0.0000
 52   0     0.9007     1.0000     0.0993     0.9713     0.9713     0.0000
 53   0     0.9293     1.0000     0.0707     0.9746     0.9746    -0.0000
 54   0     0.9747     1.0000     0.0253     1.0062     1.0062    -0.0000
 55   0     0.9116     1.0000     0.0884     0.9786     0.9786     0.0000
 56   0     0.9108     1.0000     0.0892     0.9741     0.9741    -0.0000
 57   0     0.9242     1.0000     0.0758     0.9772     0.9772    -0.0000
 58   0     0.9189     1.0000     0.0811     0.9758     0.9758    -0.0000
 59   0     0.9154     1.0000     0.0846     0.9778     0.9778    -0.0000
 60   0     6.1338     6.0000    -0.1338     3.8726     3.8726    -0.0000
 61   0     6.1672     6.0000    -0.1672     3.8941     3.8941    -0.0000
 62   0     6.1632     6.0000    -0.1632     3.9176     3.9176     0.0000
 63   0     6.1344     6.0000    -0.1344     3.8518     3.8518    -0.0000
 64   0     6.1798     6.0000    -0.1798     3.9170     3.9170     0.0000
 65   0     0.9186     1.0000     0.0814     0.9756     0.9756    -0.0000
 66   0     0.9319     1.0000     0.0681     0.9832     0.9832    -0.0000
 67   0     0.9292     1.0000     0.0708     0.9788     0.9788     0.0000
 68   0     0.9102     1.0000     0.0898     0.9739     0.9739    -0.0000
 69   0     0.8951     1.0000     0.1049     0.9703     0.9703     0.0000
 70   0     0.9240     1.0000     0.0760     0.9803     0.9803     0.0000
 71   0     0.9573     1.0000     0.0427     0.9897     0.9897    -0.0000
 72   0     0.9221     1.0000     0.0779     0.9733     0.9733     0.0000
 73   0     0.9186     1.0000     0.0814     0.9771     0.9771     0.0000
 74   0     0.9167     1.0000     0.0833     0.9775     0.9775     0.0000
 75   0     6.1337     6.0000    -0.1337     3.9224     3.9224    -0.0000
 76   0     6.1704     6.0000    -0.1704     3.9073     3.9073    -0.0000
 77   0     6.1650     6.0000    -0.1650     3.8846     3.8846    -0.0000
 78   0     6.2048     6.0000    -0.2048     3.8707     3.8707    -0.0000
 79   0     6.1493     6.0000    -0.1493     3.8820     3.8820    -0.0000
 80   0     0.9200     1.0000     0.0800     0.9801     0.9801    -0.0000
 81   0     0.9121     1.0000     0.0879     0.9739     0.9739     0.0000
 82   0     0.9190     1.0000     0.0810     0.9796     0.9796    -0.0000
 83   0     0.8972     1.0000     0.1028     0.9732     0.9732    -0.0000
 84   0     0.9185     1.0000     0.0815     0.9755     0.9755    -0.0000
 85   0     0.9126     1.0000     0.0874     0.9793     0.9793    -0.0000
 86   0     0.9326     1.0000     0.0674     0.9781     0.9781    -0.0000
 87   0     0.9126     1.0000     0.0874     0.9735     0.9735    -0.0000
 88   0     0.9274     1.0000     0.0726     0.9802     0.9802    -0.0000
 89   0     0.9224     1.0000     0.0776     0.9773     0.9773    -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                0.965273
                0             6               4            6                0.958233
                0             6               5            1                0.990713
                0             6               6            1                0.991427
                1             6               2            6                0.975778
                1             6               7            1                0.993510
                1             6               8            1                0.992968
                2             6               3            6                0.975805
                2             6               9            1                0.996922
                2             6              10            1                0.996337
                3             6               4            6                0.977594
                3             6              11            1                0.998548
                3             6              12            1                0.993029
                4             6              13            1                0.996549
                4             6              14            1                0.986814
               15             6              16            6                0.968846
               15             6              19            6                0.994940
               15             6              20            1                0.989872
               15             6              21            1                0.986596
               16             6              17            6                0.967269
               16             6              22            1                1.013140
               16             6              23            1                0.992415
               17             6              18            6                0.972845
               17             6              24            1                0.993446
               17             6              25            1                1.003127
               18             6              19            6                0.952524
               18             6              26            1                1.004191
               18             6              27            1                0.982434
               19             6              28            1                0.990719
               19             6              29            1                0.987112
               30             6              31            6                0.962908
               30             6              34            6                0.981143
               30             6              35            1                1.003750
               30             6              36            1                0.983179
               31             6              32            6                0.985185
               31             6              37            1                0.984820
               31             6              38            1                0.997751
               32             6              33            6                0.959772
               32             6              39            1                0.997332
               32             6              40            1                0.990793
               33             6              34            6                0.969423
               33             6              41            1                0.994446
               33             6              42            1                0.995343
               34             6              43            1                0.996437
               34             6              44            1                0.993732
               45             6              46            6                0.949154
               45             6              49            6                0.968817
               45             6              50            1                0.995240
               45             6              51            1                0.988915
               46             6              47            6                0.974137
               46             6              52            1                0.985543
               46             6              53            1                0.998118
               47             6              48            6                0.963461
               47             6              54            1                0.993319
               47             6              55            1                0.985025
               48             6              49            6                0.965397
               48             6              56            1                0.987198
               48             6              57            1                0.993683
               49             6              58            1                0.987130
               49             6              59            1                0.992527
               60             6              61            6                0.955357
               60             6              64            6                0.974157
               60             6              65            1                0.988160
               60             6              66            1                1.002697
               61             6              62            6                0.980966
               61             6              67            1                1.002168
               61             6              68            1                0.988621
               62             6              63            6                0.967990
               62             6              69            1                0.985716
               62             6              70            1                0.991443
               63             6              64            6                0.963222
               63             6              71            1                0.995325
               63             6              72            1                0.985593
               64             6              73            1                1.004818
               64             6              74            1                0.983888
               75             6              76            6                0.980259
               75             6              79            6                0.973245
               75             6              80            1                0.988560
               75             6              81            1                0.994024
               76             6              77            6                0.976087
               76             6              82            1                0.982500
               76             6              83            1                0.983584
               77             6              78            6                0.958291
               77             6              84            1                0.991007
               77             6              85            1                0.992853
               78             6              79            6                0.953897
               78             6              86            1                0.998685
               78             6              87            1                0.989890
               79             6              88            1                0.997155
               79             6              89            1                0.991855
# -----------------------------------------------------------
$ 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     6.1622     6.0000    -0.1622     3.9591     3.6299     0.3292
  1   0     6.1929     6.0000    -0.1929     4.0122     3.6892     0.3230
  2   0     6.1271     6.0000    -0.1271     4.0095     3.7008     0.3087
  3   0     6.1594     6.0000    -0.1594     4.0156     3.6964     0.3192
  4   0     6.1801     6.0000    -0.1801     4.0092     3.6814     0.3278
  5   0     0.9413     1.0000     0.0587     1.0090     0.9533     0.0557
  6   0     0.9128     1.0000     0.0872     0.9827     0.9297     0.0530
  7   0     0.9154     1.0000     0.0846     0.9852     0.9320     0.0532
  8   0     0.9233     1.0000     0.0767     0.9881     0.9354     0.0527
  9   0     0.9158     1.0000     0.0842     0.9903     0.9414     0.0489
 10   0     0.9256     1.0000     0.0744     0.9864     0.9352     0.0512
 11   0     0.9141     1.0000     0.0859     0.9846     0.9331     0.0515
 12   0     0.9186     1.0000     0.0814     0.9863     0.9325     0.0538
 13   0     0.9172     1.0000     0.0828     0.9911     0.9402     0.0509
 14   0     0.8980     1.0000     0.1020     0.9773     0.9243     0.0530
 15   0     6.1172     6.0000    -0.1172     4.0163     3.6960     0.3203
 16   0     6.1763     6.0000    -0.1763     4.0000     3.6763     0.3237
 17   0     6.1231     6.0000    -0.1231     4.0082     3.6919     0.3163
 18   0     6.2207     6.0000    -0.2207     3.9852     3.6511     0.3341
 19   0     6.2291     6.0000    -0.2291     4.0297     3.6904     0.3393
 20   0     0.9182     1.0000     0.0818     0.9912     0.9361     0.0551
 21   0     0.8961     1.0000     0.1039     0.9822     0.9326     0.0496
 22   0     0.9533     1.0000     0.0467     0.9920     0.9363     0.0557
 23   0     0.9235     1.0000     0.0765     0.9888     0.9349     0.0539
 24   0     0.9155     1.0000     0.0845     0.9818     0.9297     0.0521
 25   0     0.9157     1.0000     0.0843     0.9934     0.9438     0.0496
 26   0     0.9213     1.0000     0.0787     0.9918     0.9358     0.0560
 27   0     0.8932     1.0000     0.1068     0.9796     0.9281     0.0515
 28   0     0.8959     1.0000     0.1041     0.9797     0.9265     0.0532
 29   0     0.8976     1.0000     0.1024     0.9808     0.9253     0.0555
 30   0     6.1286     6.0000    -0.1286     3.9900     3.6795     0.3105
 31   0     6.1598     6.0000    -0.1598     4.0123     3.6968     0.3155
 32   0     6.2011     6.0000    -0.2011     4.0261     3.7024     0.3237
 33   0     6.1386     6.0000    -0.1386     3.9756     3.6539     0.3217
 34   0     6.1783     6.0000    -0.1783     4.0363     3.7286     0.3077
 35   0     0.9325     1.0000     0.0675     0.9878     0.9365     0.0513
 36   0     0.9076     1.0000     0.0924     0.9840     0.9328     0.0512
 37   0     0.9152     1.0000     0.0848     0.9823     0.9297     0.0526
 38   0     0.9150     1.0000     0.0850     0.9876     0.9354     0.0522
 39   0     0.9132     1.0000     0.0868     0.9873     0.9349     0.0524
 40   0     0.9067     1.0000     0.0933     0.9780     0.9239     0.0541
 41   0     0.9102     1.0000     0.0898     0.9830     0.9313     0.0517
 42   0     0.9547     1.0000     0.0453     1.0045     0.9489     0.0556
 43   0     0.9258     1.0000     0.0742     0.9862     0.9349     0.0513
 44   0     0.9135     1.0000     0.0865     0.9815     0.9318     0.0497
 45   0     6.1505     6.0000    -0.1505     3.9632     3.6439     0.3193
 46   0     6.2019     6.0000    -0.2019     4.0130     3.6914     0.3216
 47   0     6.0610     6.0000    -0.0610     3.9796     3.6699     0.3097
 48   0     6.1887     6.0000    -0.1887     3.9987     3.6741     0.3246
 49   0     6.2001     6.0000    -0.2001     3.9997     3.6669     0.3328
 50   0     0.9188     1.0000     0.0812     0.9853     0.9340     0.0513
 51   0     0.9233     1.0000     0.0767     0.9986     0.9468     0.0518
 52   0     0.8968     1.0000     0.1032     0.9800     0.9296     0.0504
 53   0     0.9252     1.0000     0.0748     0.9845     0.9307     0.0538
 54   0     0.9714     1.0000     0.0286     1.0182     0.9619     0.0563
 55   0     0.9075     1.0000     0.0925     0.9874     0.9379     0.0495
 56   0     0.9069     1.0000     0.0931     0.9832     0.9315     0.0517
 57   0     0.9204     1.0000     0.0796     0.9871     0.9339     0.0532
 58   0     0.9152     1.0000     0.0848     0.9856     0.9312     0.0544
 59   0     0.9116     1.0000     0.0884     0.9871     0.9340     0.0531
 60   0     6.1417     6.0000    -0.1417     3.9798     3.6659     0.3139
 61   0     6.1745     6.0000    -0.1745     4.0009     3.6869     0.3140
 62   0     6.1709     6.0000    -0.1709     4.0261     3.7031     0.3230
 63   0     6.1423     6.0000    -0.1423     3.9631     3.6335     0.3296
 64   0     6.1874     6.0000    -0.1874     4.0259     3.7065     0.3194
 65   0     0.9148     1.0000     0.0852     0.9852     0.9331     0.0521
 66   0     0.9279     1.0000     0.0721     0.9928     0.9440     0.0488
 67   0     0.9253     1.0000     0.0747     0.9885     0.9371     0.0514
 68   0     0.9064     1.0000     0.0936     0.9830     0.9329     0.0501
 69   0     0.8913     1.0000     0.1087     0.9789     0.9289     0.0500
 70   0     0.9203     1.0000     0.0797     0.9901     0.9350     0.0551
 71   0     0.9533     1.0000     0.0467     1.0006     0.9437     0.0569
 72   0     0.9179     1.0000     0.0821     0.9827     0.9270     0.0557
 73   0     0.9146     1.0000     0.0854     0.9863     0.9363     0.0500
 74   0     0.9129     1.0000     0.0871     0.9869     0.9339     0.0530
 75   0     6.1409     6.0000    -0.1409     4.0279     3.7146     0.3133
 76   0     6.1782     6.0000    -0.1782     4.0181     3.6887     0.3294
 77   0     6.1726     6.0000    -0.1726     3.9944     3.6665     0.3279
 78   0     6.2134     6.0000    -0.2134     3.9863     3.6527     0.3336
 79   0     6.1574     6.0000    -0.1574     3.9911     3.6756     0.3155
 80   0     0.9158     1.0000     0.0842     0.9894     0.9396     0.0498
 81   0     0.9086     1.0000     0.0914     0.9835     0.9321     0.0514
 82   0     0.9150     1.0000     0.0850     0.9888     0.9339     0.0549
 83   0     0.8935     1.0000     0.1065     0.9821     0.9296     0.0525
 84   0     0.9147     1.0000     0.0853     0.9851     0.9333     0.0518
 85   0     0.9088     1.0000     0.0912     0.9886     0.9358     0.0528
 86   0     0.9286     1.0000     0.0714     0.9881     0.9348     0.0533
 87   0     0.9085     1.0000     0.0915     0.9826     0.9311     0.0515
 88   0     0.9234     1.0000     0.0766     0.9899     0.9373     0.0526
 89   0     0.9183     1.0000     0.0817     0.9868     0.9378     0.0490
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.901603
                0             6               4            6                0.892155
                0             6               5            1                0.947740
                0             6               6            1                0.948527
                1             6               2            6                0.913823
                1             6               7            1                0.951107
                1             6               8            1                0.951015
                2             6               3            6                0.915071
                2             6               9            1                0.958560
                2             6              10            1                0.956000
                3             6               4            6                0.914045
                3             6              11            1                0.957832
                3             6              12            1                0.950033
                4             6              13            1                0.956115
                4             6              14            1                0.943937
               15             6              16            6                0.906759
               15             6              19            6                0.929386
               15             6              20            1                0.945379
               15             6              21            1                0.946951
               16             6              17            6                0.907787
               16             6              22            1                0.969480
               16             6              23            1                0.949164
               17             6              18            6                0.908309
               17             6              24            1                0.951406
               17             6              25            1                0.964053
               18             6              19            6                0.887711
               18             6              26            1                0.958799
               18             6              27            1                0.940886
               19             6              28            1                0.947436
               19             6              29            1                0.941890
               30             6              31            6                0.899917
               30             6              34            6                0.923284
               30             6              35            1                0.963519
               30             6              36            1                0.942996
               31             6              32            6                0.925660
               31             6              37            1                0.943458
               31             6              38            1                0.956036
               32             6              33            6                0.895128
               32             6              39            1                0.955403
               32             6              40            1                0.947211
               33             6              34            6                0.907474
               33             6              41            1                0.952641
               33             6              42            1                0.952184
               34             6              43            1                0.956626
               34             6              44            1                0.954481
               45             6              46            6                0.887456
               45             6              49            6                0.903328
               45             6              50            1                0.954454
               45             6              51            1                0.949027
               46             6              47            6                0.912461
               46             6              52            1                0.945328
               46             6              53            1                0.955268
               47             6              48            6                0.902027
               47             6              54            1                0.950502
               47             6              55            1                0.945861
               48             6              49            6                0.898640
               48             6              56            1                0.945982
               48             6              57            1                0.951739
               49             6              58            1                0.943944
               49             6              59            1                0.950114
               60             6              61            6                0.894121
               60             6              64            6                0.910599
               60             6              65            1                0.947101
               60             6              66            1                0.964525
               61             6              62            6                0.918500
               61             6              67            1                0.961560
               61             6              68            1                0.949040
               62             6              63            6                0.904117
               62             6              69            1                0.945764
               62             6              70            1                0.947520
               63             6              64            6                0.901862
               63             6              71            1                0.950521
               63             6              72            1                0.940493
               64             6              73            1                0.965094
               64             6              74            1                0.941829
               75             6              76            6                0.915911
               75             6              79            6                0.913950
               75             6              80            1                0.949859
               75             6              81            1                0.953387
               76             6              77            6                0.912058
               76             6              82            1                0.938775
               76             6              83            1                0.941644
               77             6              78            6                0.890586
               77             6              84            1                0.950020
               77             6              85            1                0.950734
               78             6              79            6                0.890009
               78             6              86            1                0.956370
               78             6              87            1                0.948867
               79             6              88            1                0.955634
               79             6              89            1                0.953593
# -----------------------------------------------------------
$ 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     6.2170     6.0000    -0.2170     3.9562     3.6316     0.3246
  1   0     6.2370     6.0000    -0.2370     3.9856     3.6669     0.3187
  2   0     6.1854     6.0000    -0.1854     3.9875     3.6826     0.3049
  3   0     6.2111     6.0000    -0.2111     3.9923     3.6771     0.3152
  4   0     6.2275     6.0000    -0.2275     3.9964     3.6728     0.3236
  5   0     0.9157     1.0000     0.0843     1.0037     0.9493     0.0544
  6   0     0.8865     1.0000     0.1135     0.9741     0.9222     0.0519
  7   0     0.8902     1.0000     0.1098     0.9775     0.9254     0.0521
  8   0     0.8964     1.0000     0.1036     0.9841     0.9327     0.0514
  9   0     0.8897     1.0000     0.1103     0.9819     0.9341     0.0478
 10   0     0.8991     1.0000     0.1009     0.9783     0.9281     0.0502
 11   0     0.8901     1.0000     0.1099     0.9767     0.9262     0.0505
 12   0     0.8924     1.0000     0.1076     0.9777     0.9250     0.0527
 13   0     0.8918     1.0000     0.1082     0.9822     0.9324     0.0498
 14   0     0.8749     1.0000     0.1251     0.9719     0.9201     0.0518
 15   0     6.1708     6.0000    -0.1708     4.0043     3.6882     0.3161
 16   0     6.2304     6.0000    -0.2304     3.9754     3.6563     0.3191
 17   0     6.1913     6.0000    -0.1913     3.9950     3.6827     0.3123
 18   0     6.2606     6.0000    -0.2606     3.9760     3.6468     0.3292
 19   0     6.2695     6.0000    -0.2695     4.0261     3.6916     0.3345
 20   0     0.8949     1.0000     0.1051     0.9830     0.9290     0.0540
 21   0     0.8753     1.0000     0.1247     0.9772     0.9286     0.0486
 22   0     0.9187     1.0000     0.0813     0.9880     0.9339     0.0541
 23   0     0.8964     1.0000     0.1036     0.9804     0.9279     0.0525
 24   0     0.8898     1.0000     0.1102     0.9745     0.9236     0.0509
 25   0     0.8879     1.0000     0.1121     0.9859     0.9376     0.0483
 26   0     0.8938     1.0000     0.1062     0.9813     0.9267     0.0546
 27   0     0.8715     1.0000     0.1285     0.9738     0.9233     0.0505
 28   0     0.8730     1.0000     0.1270     0.9714     0.9193     0.0521
 29   0     0.8763     1.0000     0.1237     0.9727     0.9181     0.0546
 30   0     6.1843     6.0000    -0.1843     3.9747     3.6681     0.3066
 31   0     6.2125     6.0000    -0.2125     4.0038     3.6922     0.3116
 32   0     6.2462     6.0000    -0.2462     4.0121     3.6928     0.3193
 33   0     6.2031     6.0000    -0.2031     3.9717     3.6538     0.3179
 34   0     6.2232     6.0000    -0.2232     4.0151     3.7114     0.3037
 35   0     0.9037     1.0000     0.0963     0.9773     0.9271     0.0502
 36   0     0.8838     1.0000     0.1162     0.9760     0.9258     0.0502
 37   0     0.8919     1.0000     0.1081     0.9753     0.9237     0.0516
 38   0     0.8895     1.0000     0.1105     0.9787     0.9276     0.0511
 39   0     0.8865     1.0000     0.1135     0.9773     0.9260     0.0513
 40   0     0.8844     1.0000     0.1156     0.9712     0.9180     0.0532
 41   0     0.8843     1.0000     0.1157     0.9744     0.9238     0.0506
 42   0     0.9206     1.0000     0.0794     0.9966     0.9424     0.0542
 43   0     0.8993     1.0000     0.1007     0.9772     0.9270     0.0502
 44   0     0.8874     1.0000     0.1126     0.9741     0.9255     0.0486
 45   0     6.2100     6.0000    -0.2100     3.9465     3.6313     0.3152
 46   0     6.2431     6.0000    -0.2431     3.9860     3.6690     0.3170
 47   0     6.1322     6.0000    -0.1322     3.9687     3.6627     0.3060
 48   0     6.2331     6.0000    -0.2331     3.9763     3.6560     0.3203
 49   0     6.2415     6.0000    -0.2415     3.9670     3.6384     0.3286
 50   0     0.8933     1.0000     0.1067     0.9780     0.9278     0.0502
 51   0     0.8921     1.0000     0.1079     0.9905     0.9400     0.0505
 52   0     0.8752     1.0000     0.1248     0.9770     0.9277     0.0493
 53   0     0.9001     1.0000     0.0999     0.9764     0.9237     0.0527
 54   0     0.9357     1.0000     0.0643     1.0114     0.9565     0.0549
 55   0     0.8850     1.0000     0.1150     0.9816     0.9331     0.0485
 56   0     0.8828     1.0000     0.1172     0.9769     0.9263     0.0506
 57   0     0.8955     1.0000     0.1045     0.9796     0.9275     0.0521
 58   0     0.8916     1.0000     0.1084     0.9803     0.9270     0.0533
 59   0     0.8873     1.0000     0.1127     0.9801     0.9280     0.0521
 60   0     6.1951     6.0000    -0.1951     3.9550     3.6449     0.3101
 61   0     6.2247     6.0000    -0.2247     3.9826     3.6726     0.3100
 62   0     6.2184     6.0000    -0.2184     4.0116     3.6928     0.3188
 63   0     6.2004     6.0000    -0.2004     3.9642     3.6392     0.3250
 64   0     6.2347     6.0000    -0.2347     3.9967     3.6815     0.3152
 65   0     0.8916     1.0000     0.1084     0.9782     0.9270     0.0512
 66   0     0.8992     1.0000     0.1008     0.9846     0.9370     0.0476
 67   0     0.8974     1.0000     0.1026     0.9795     0.9292     0.0503
 68   0     0.8832     1.0000     0.1168     0.9758     0.9267     0.0491
 69   0     0.8717     1.0000     0.1283     0.9738     0.9248     0.0490
 70   0     0.8947     1.0000     0.1053     0.9798     0.9258     0.0540
 71   0     0.9186     1.0000     0.0814     0.9936     0.9382     0.0554
 72   0     0.8945     1.0000     0.1055     0.9741     0.9196     0.0545
 73   0     0.8889     1.0000     0.1111     0.9804     0.9316     0.0488
 74   0     0.8878     1.0000     0.1122     0.9785     0.9266     0.0519
 75   0     6.1968     6.0000    -0.1968     4.0192     3.7099     0.3093
 76   0     6.2104     6.0000    -0.2104     4.0058     3.6811     0.3247
 77   0     6.2188     6.0000    -0.2188     3.9844     3.6609     0.3235
 78   0     6.2576     6.0000    -0.2576     3.9645     3.6352     0.3293
 79   0     6.2087     6.0000    -0.2087     3.9744     3.6631     0.3113
 80   0     0.8929     1.0000     0.1071     0.9798     0.9310     0.0488
 81   0     0.8826     1.0000     0.1174     0.9807     0.9306     0.0501
 82   0     0.8936     1.0000     0.1064     0.9804     0.9265     0.0539
 83   0     0.8775     1.0000     0.1225     0.9764     0.9247     0.0517
 84   0     0.8920     1.0000     0.1080     0.9822     0.9314     0.0508
 85   0     0.8887     1.0000     0.1113     0.9806     0.9287     0.0519
 86   0     0.8986     1.0000     0.1014     0.9825     0.9306     0.0519
 87   0     0.8864     1.0000     0.1136     0.9753     0.9249     0.0504
 88   0     0.8959     1.0000     0.1041     0.9839     0.9326     0.0513
 89   0     0.8943     1.0000     0.1057     0.9782     0.9302     0.0480
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.909886
                0             6               4            6                0.901173
                0             6               5            1                0.935821
                0             6               6            1                0.937217
                1             6               2            6                0.917557
                1             6               7            1                0.937130
                1             6               8            1                0.939343
                2             6               3            6                0.922506
                2             6               9            1                0.946602
                2             6              10            1                0.942397
                3             6               4            6                0.921274
                3             6              11            1                0.942969
                3             6              12            1                0.935651
                4             6              13            1                0.944620
                4             6              14            1                0.928605
               15             6              16            6                0.915822
               15             6              19            6                0.942920
               15             6              20            1                0.927792
               15             6              21            1                0.935030
               16             6              17            6                0.918175
               16             6              22            1                0.952777
               16             6              23            1                0.930311
               17             6              18            6                0.911626
               17             6              24            1                0.937871
               17             6              25            1                0.951877
               18             6              19            6                0.903137
               18             6              26            1                0.939644
               18             6              27            1                0.930922
               19             6              28            1                0.932612
               19             6              29            1                0.925747
               30             6              31            6                0.906994
               30             6              34            6                0.934718
               30             6              35            1                0.950670
               30             6              36            1                0.928715
               31             6              32            6                0.940677
               31             6              37            1                0.929878
               31             6              38            1                0.942270
               32             6              33            6                0.905820
               32             6              39            1                0.941959
               32             6              40            1                0.931980
               33             6              34            6                0.915878
               33             6              41            1                0.941953
               33             6              42            1                0.936648
               34             6              43            1                0.941844
               34             6              44            1                0.941695
               45             6              46            6                0.892612
               45             6              49            6                0.906142
               45             6              50            1                0.943811
               45             6              51            1                0.939683
               46             6              47            6                0.921435
               46             6              52            1                0.933836
               46             6              53            1                0.940529
               47             6              48            6                0.913619
               47             6              54            1                0.939457
               47             6              55            1                0.933953
               48             6              49            6                0.900358
               48             6              56            1                0.934641
               48             6              57            1                0.939060
               49             6              58            1                0.932043
               49             6              59            1                0.939093
               60             6              61            6                0.899813
               60             6              64            6                0.911192
               60             6              65            1                0.933075
               60             6              66            1                0.956437
               61             6              62            6                0.926503
               61             6              67            1                0.949417
               61             6              68            1                0.936721
               62             6              63            6                0.919929
               62             6              69            1                0.934657
               62             6              70            1                0.931071
               63             6              64            6                0.911355
               63             6              71            1                0.937763
               63             6              72            1                0.923382
               64             6              73            1                0.951919
               64             6              74            1                0.928821
               75             6              76            6                0.927471
               75             6              79            6                0.927326
               75             6              80            1                0.933589
               75             6              81            1                0.939995
               76             6              77            6                0.927625
               76             6              82            1                0.922278
               76             6              83            1                0.927311
               77             6              78            6                0.896222
               77             6              84            1                0.938088
               77             6              85            1                0.935413
               78             6              79            6                0.895746
               78             6              86            1                0.944807
               78             6              87            1                0.936390
               79             6              88            1                0.940928
               79             6              89            1                0.939692
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1980796054
        Correlation Energy:       -5.0670681137
        Total MP2 Energy:      -1176.2651477191
# -----------------------------------------------------------
$ 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) :        0.5318074802
        Electronic Contribution:
                  0    
      0       0.070473
      1       0.604292
      2       0.197477
        Nuclear Contribution:
                  0    
      0       0.064267
      1      -0.763172
      2      -0.216902
        Total Dipole moment:
                  0    
      0       0.134740
      1      -0.158880
      2      -0.019425
# -----------------------------------------------------------
$ 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) :        0.5332209537
        Electronic Contribution:
                  0    
      0       0.070088
      1       0.603264
      2       0.197250
        Nuclear Contribution:
                  0    
      0       0.064267
      1      -0.763172
      2      -0.216902
        Total Dipole moment:
                  0    
      0       0.134356
      1      -0.159908
      2      -0.019652
# -----------------------------------------------------------
$ 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) :        0.4861009231
        Electronic Contribution:
                  0    
      0       0.042303
      1       0.607724
      2       0.184460
        Nuclear Contribution:
                  0    
      0       0.064267
      1      -0.763172
      2      -0.216902
        Total Dipole moment:
                  0    
      0       0.106570
      1      -0.155448
      2      -0.032442
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     21.340000000000   20.960000000000   19.660000000000
               1 C     20.820000000000   22.010000000000   20.670000000000
               2 C     19.300000000000   21.890000000000   20.750000000000
               3 C     18.880000000000   20.920000000000   19.680000000000
               4 C     20.100000000000   20.120000000000   19.110000000000
               5 H     22.050000000000   20.280000000000   20.130000000000
               6 H     21.820000000000   21.540000000000   18.850000000000
               7 H     21.010000000000   23.050000000000   20.330000000000
               8 H     21.290000000000   21.830000000000   21.640000000000
               9 H     18.840000000000   22.830000000000   20.670000000000
              10 H     19.010000000000   21.460000000000   21.690000000000
              11 H     18.400000000000   21.480000000000   18.890000000000
              12 H     18.090000000000   20.250000000000   20.100000000000
              13 H     20.110000000000   20.130000000000   18.040000000000
              14 H     20.190000000000   19.040000000000   19.390000000000
              15 C     22.290000000000   15.710000000000   17.500000000000
              16 C     23.410000000000   15.340000000000   18.450000000000
              17 C     23.740000000000   16.490000000000   19.340000000000
              18 C     22.550000000000   17.460000000000   19.320000000000
              19 C     21.560000000000   16.920000000000   18.200000000000
              20 H     21.570000000000   14.830000000000   17.540000000000
              21 H     22.740000000000   15.910000000000   16.540000000000
              22 H     24.260000000000   15.030000000000   17.850000000000
              23 H     23.250000000000   14.380000000000   18.980000000000
              24 H     24.640000000000   16.980000000000   18.940000000000
              25 H     23.890000000000   16.240000000000   20.340000000000
              26 H     23.100000000000   18.380000000000   19.000000000000
              27 H     22.280000000000   17.600000000000   20.370000000000
              28 H     21.300000000000   17.670000000000   17.410000000000
              29 H     20.540000000000   16.600000000000   18.650000000000
              30 C     27.970000000000   15.050000000000   14.090000000000
              31 C     27.080000000000   16.080000000000   13.380000000000
              32 C     25.790000000000   15.970000000000   14.130000000000
              33 C     25.770000000000   14.650000000000   14.990000000000
              34 C     27.180000000000   14.090000000000   14.870000000000
              35 H     28.460000000000   15.690000000000   14.760000000000
              36 H     28.790000000000   14.630000000000   13.500000000000
              37 H     26.970000000000   15.880000000000   12.290000000000
              38 H     27.630000000000   17.030000000000   13.490000000000
              39 H     24.930000000000   15.920000000000   13.460000000000
              40 H     25.540000000000   16.860000000000   14.780000000000
              41 H     25.060000000000   13.920000000000   14.590000000000
              42 H     25.460000000000   14.830000000000   16.040000000000
              43 H     27.060000000000   13.130000000000   14.420000000000
              44 H     27.670000000000   13.860000000000   15.780000000000
              45 C     24.400000000000   11.400000000000   17.480000000000
              46 C     25.090000000000   11.120000000000   18.800000000000
              47 C     24.260000000000   10.130000000000   19.590000000000
              48 C     23.020000000000    9.750000000000   18.790000000000
              49 C     23.010000000000   10.650000000000   17.490000000000
              50 H     24.990000000000   10.960000000000   16.690000000000
              51 H     24.240000000000   12.440000000000   17.320000000000
              52 H     25.390000000000   12.070000000000   19.230000000000
              53 H     25.980000000000   10.570000000000   18.440000000000
              54 H     23.850000000000   10.700000000000   20.420000000000
              55 H     24.860000000000    9.280000000000   19.860000000000
              56 H     22.070000000000    9.910000000000   19.320000000000
              57 H     23.070000000000    8.730000000000   18.370000000000
              58 H     22.190000000000   11.420000000000   17.550000000000
              59 H     22.880000000000    9.920000000000   16.660000000000
              60 C     22.850000000000   12.870000000000   24.140000000000
              61 C     24.080000000000   13.690000000000   24.440000000000
              62 C     24.730000000000   14.030000000000   23.090000000000
              63 C     23.710000000000   13.620000000000   21.970000000000
              64 C     22.700000000000   12.680000000000   22.600000000000
              65 H     21.940000000000   13.310000000000   24.590000000000
              66 H     23.060000000000   11.970000000000   24.570000000000
              67 H     24.760000000000   13.060000000000   24.980000000000
              68 H     23.750000000000   14.450000000000   25.120000000000
              69 H     25.730000000000   13.620000000000   22.960000000000
              70 H     24.810000000000   15.150000000000   23.090000000000
              71 H     24.210000000000   13.050000000000   21.150000000000
              72 H     23.180000000000   14.480000000000   21.420000000000
              73 H     22.940000000000   11.680000000000   22.360000000000
              74 H     21.650000000000   12.860000000000   22.270000000000
              75 C     24.770000000000   22.360000000000   20.480000000000
              76 C     24.940000000000   22.680000000000   22.010000000000
              77 C     24.490000000000   21.360000000000   22.680000000000
              78 C     24.830000000000   20.240000000000   21.590000000000
              79 C     25.220000000000   20.960000000000   20.280000000000
              80 H     25.320000000000   23.060000000000   19.890000000000
              81 H     23.770000000000   22.340000000000   20.120000000000
              82 H     24.200000000000   23.520000000000   22.250000000000
              83 H     25.960000000000   22.840000000000   22.450000000000
              84 H     23.420000000000   21.300000000000   22.830000000000
              85 H     25.120000000000   21.040000000000   23.540000000000
              86 H     23.970000000000   19.620000000000   21.360000000000
              87 H     25.620000000000   19.590000000000   21.970000000000
              88 H     24.710000000000   20.390000000000   19.500000000000
              89 H     26.250000000000   20.860000000000   20.130000000000
