-------------------------------------------------------------
----------------------- !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:    -1171.2159131354
# -----------------------------------------------------------
$ 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     6.0532     6.0000    -0.0532     3.8847     3.8847    -0.0000
  1   0     6.1821     6.0000    -0.1821     3.9204     3.9204    -0.0000
  2   0     6.1475     6.0000    -0.1475     3.8929     3.8929     0.0000
  3   0     6.1391     6.0000    -0.1391     3.8747     3.8747     0.0000
  4   0     6.2310     6.0000    -0.2310     3.8907     3.8907    -0.0000
  5   0     0.9138     1.0000     0.0862     0.9796     0.9796    -0.0000
  6   0     0.9542     1.0000     0.0458     0.9874     0.9874    -0.0000
  7   0     0.9188     1.0000     0.0812     0.9766     0.9766    -0.0000
  8   0     0.9194     1.0000     0.0806     0.9756     0.9756     0.0000
  9   0     0.9217     1.0000     0.0783     0.9753     0.9753     0.0000
 10   0     0.9152     1.0000     0.0848     0.9764     0.9764     0.0000
 11   0     0.9346     1.0000     0.0654     0.9806     0.9806    -0.0000
 12   0     0.9230     1.0000     0.0770     0.9783     0.9783     0.0000
 13   0     0.9393     1.0000     0.0607     0.9819     0.9819    -0.0000
 14   0     0.9068     1.0000     0.0932     0.9710     0.9710    -0.0000
 15   0     6.1820     6.0000    -0.1820     3.9104     3.9104     0.0000
 16   0     6.1376     6.0000    -0.1376     3.8803     3.8803    -0.0000
 17   0     6.1472     6.0000    -0.1472     3.8936     3.8936    -0.0000
 18   0     6.2165     6.0000    -0.2165     3.8844     3.8844    -0.0000
 19   0     6.1346     6.0000    -0.1346     3.8780     3.8780     0.0000
 20   0     0.9162     1.0000     0.0838     0.9735     0.9735    -0.0000
 21   0     0.9143     1.0000     0.0857     0.9747     0.9747     0.0000
 22   0     0.9039     1.0000     0.0961     0.9729     0.9729    -0.0000
 23   0     0.9529     1.0000     0.0471     0.9950     0.9950     0.0000
 24   0     0.9168     1.0000     0.0832     0.9760     0.9760    -0.0000
 25   0     0.9261     1.0000     0.0739     0.9810     0.9810    -0.0000
 26   0     0.9129     1.0000     0.0871     0.9771     0.9771    -0.0000
 27   0     0.9089     1.0000     0.0911     0.9763     0.9763    -0.0000
 28   0     0.9175     1.0000     0.0825     0.9742     0.9742     0.0000
 29   0     0.9119     1.0000     0.0881     0.9771     0.9771     0.0000
 30   0     6.1438     6.0000    -0.1438     3.8878     3.8878    -0.0000
 31   0     6.1595     6.0000    -0.1595     3.8818     3.8818    -0.0000
 32   0     6.1934     6.0000    -0.1934     3.9212     3.9212    -0.0000
 33   0     6.1876     6.0000    -0.1876     3.9227     3.9227    -0.0000
 34   0     6.1174     6.0000    -0.1174     3.8623     3.8623    -0.0000
 35   0     0.9429     1.0000     0.0571     0.9902     0.9902    -0.0000
 36   0     0.9343     1.0000     0.0657     1.0005     1.0005    -0.0000
 37   0     0.9149     1.0000     0.0851     0.9777     0.9777    -0.0000
 38   0     0.9140     1.0000     0.0860     0.9652     0.9652     0.0000
 39   0     0.9179     1.0000     0.0821     0.9733     0.9733    -0.0000
 40   0     0.9047     1.0000     0.0953     0.9720     0.9720    -0.0000
 41   0     0.9129     1.0000     0.0871     0.9791     0.9791    -0.0000
 42   0     0.9178     1.0000     0.0822     0.9773     0.9773    -0.0000
 43   0     0.9140     1.0000     0.0860     0.9735     0.9735    -0.0000
 44   0     0.9203     1.0000     0.0797     0.9807     0.9807     0.0000
 45   0     6.1545     6.0000    -0.1545     3.8743     3.8743    -0.0000
 46   0     6.1296     6.0000    -0.1296     3.9038     3.9038    -0.0000
 47   0     6.1816     6.0000    -0.1816     3.8996     3.8996    -0.0000
 48   0     6.1438     6.0000    -0.1438     3.9104     3.9104    -0.0000
 49   0     6.1463     6.0000    -0.1463     3.8534     3.8534    -0.0000
 50   0     0.9755     1.0000     0.0245     0.9899     0.9899    -0.0000
 51   0     0.9131     1.0000     0.0869     0.9750     0.9750    -0.0000
 52   0     0.9136     1.0000     0.0864     0.9850     0.9850    -0.0000
 53   0     0.9283     1.0000     0.0717     0.9821     0.9821    -0.0000
 54   0     0.9110     1.0000     0.0890     0.9731     0.9731    -0.0000
 55   0     0.9251     1.0000     0.0749     0.9750     0.9750    -0.0000
 56   0     0.9117     1.0000     0.0883     0.9799     0.9799     0.0000
 57   0     0.9170     1.0000     0.0830     0.9753     0.9753    -0.0000
 58   0     0.9220     1.0000     0.0780     0.9783     0.9783    -0.0000
 59   0     0.9316     1.0000     0.0684     0.9810     0.9810    -0.0000
 60   0     6.1364     6.0000    -0.1364     3.9307     3.9307     0.0000
 61   0     6.1307     6.0000    -0.1307     3.9010     3.9010     0.0000
 62   0     6.1885     6.0000    -0.1885     3.8859     3.8859     0.0000
 63   0     6.1522     6.0000    -0.1522     3.8631     3.8631    -0.0000
 64   0     6.1560     6.0000    -0.1560     3.8953     3.8953     0.0000
 65   0     0.9283     1.0000     0.0717     0.9799     0.9799     0.0000
 66   0     0.9133     1.0000     0.0867     0.9761     0.9761     0.0000
 67   0     0.9180     1.0000     0.0820     0.9828     0.9828     0.0000
 68   0     0.9239     1.0000     0.0761     0.9784     0.9784     0.0000
 69   0     0.9307     1.0000     0.0693     0.9757     0.9757     0.0000
 70   0     0.9216     1.0000     0.0784     0.9772     0.9772     0.0000
 71   0     0.9451     1.0000     0.0549     0.9892     0.9892    -0.0000
 72   0     0.9156     1.0000     0.0844     0.9777     0.9777    -0.0000
 73   0     0.9229     1.0000     0.0771     0.9745     0.9745    -0.0000
 74   0     0.9185     1.0000     0.0815     0.9753     0.9753    -0.0000
 75   0     6.1443     6.0000    -0.1443     3.9019     3.9019    -0.0000
 76   0     6.1642     6.0000    -0.1642     3.8631     3.8631    -0.0000
 77   0     6.1411     6.0000    -0.1411     3.8886     3.8886     0.0000
 78   0     6.1386     6.0000    -0.1386     3.9107     3.9107     0.0000
 79   0     6.1828     6.0000    -0.1828     3.9113     3.9113     0.0000
 80   0     0.9307     1.0000     0.0693     0.9753     0.9753    -0.0000
 81   0     0.9101     1.0000     0.0899     0.9799     0.9799    -0.0000
 82   0     0.9314     1.0000     0.0686     0.9722     0.9722    -0.0000
 83   0     0.9240     1.0000     0.0760     0.9720     0.9720     0.0000
 84   0     0.9163     1.0000     0.0837     0.9749     0.9749     0.0000
 85   0     0.9485     1.0000     0.0515     0.9923     0.9923     0.0000
 86   0     0.9153     1.0000     0.0847     0.9778     0.9778     0.0000
 87   0     0.9188     1.0000     0.0812     0.9788     0.9788     0.0000
 88   0     0.9125     1.0000     0.0875     0.9749     0.9749     0.0000
 89   0     0.9206     1.0000     0.0794     0.9751     0.9751     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                0.985128
                0             6               4            6                0.958193
                0             6               5            1                0.985384
                0             6               6            1                0.996015
                1             6               2            6                0.969549
                1             6               7            1                0.995262
                1             6               8            1                0.989642
                2             6               3            6                0.967826
                2             6               9            1                0.997529
                2             6              10            1                0.992082
                3             6               4            6                0.956729
                3             6              11            1                0.992760
                3             6              12            1                0.991293
                4             6              13            1                0.998859
                4             6              14            1                0.988665
               15             6              16            6                0.961799
               15             6              19            6                0.979146
               15             6              20            1                0.998549
               15             6              21            1                0.988694
               16             6              17            6                0.961094
               16             6              22            1                0.987740
               16             6              23            1                1.008406
               17             6              18            6                0.966344
               17             6              24            1                0.991806
               17             6              25            1                0.994250
               18             6              19            6                0.961235
               18             6              26            1                0.997962
               18             6              27            1                0.989233
               19             6              28            1                0.993738
               19             6              29            1                0.987265
               30             6              31            6                0.966345
               30             6              34            6                0.969666
               30             6              35            1                0.995872
               30             6              36            1                0.997904
               31             6              32            6                0.973201
               31             6              37            1                0.996869
               31             6              38            1                0.979419
               32             6              33            6                0.977854
               32             6              39            1                0.999092
               32             6              40            1                0.986280
               33             6              34            6                0.960223
               33             6              41            1                1.004472
               33             6              42            1                0.996569
               34             6              43            1                0.991780
               34             6              44            1                0.994562
               45             6              46            6                0.967679
               45             6              49            6                0.958269
               45             6              50            1                1.005310
               45             6              51            1                0.983181
               46             6              47            6                0.970764
               46             6              52            1                0.989583
               46             6              53            1                1.002559
               47             6              48            6                0.982185
               47             6              54            1                0.987284
               47             6              55            1                0.997582
               48             6              49            6                0.968688
               48             6              56            1                0.985233
               48             6              57            1                0.992641
               49             6              58            1                0.988420
               49             6              59            1                0.988706
               60             6              61            6                0.984665
               60             6              64            6                0.986984
               60             6              65            1                0.988462
               60             6              66            1                0.986965
               61             6              62            6                0.961412
               61             6              67            1                0.994619
               61             6              68            1                0.994116
               62             6              63            6                0.968508
               62             6              69            1                0.999384
               62             6              70            1                0.990117
               63             6              64            6                0.947526
               63             6              71            1                0.992746
               63             6              72            1                0.987482
               64             6              73            1                0.996442
               64             6              74            1                1.002291
               75             6              76            6                0.962007
               75             6              79            6                0.976152
               75             6              80            1                0.996549
               75             6              81            1                0.990110
               76             6              77            6                0.953431
               76             6              82            1                0.994423
               76             6              83            1                1.000460
               77             6              78            6                0.980106
               77             6              84            1                0.984648
               77             6              85            1                0.998810
               78             6              79            6                0.971171
               78             6              86            1                0.990864
               78             6              87            1                0.993993
               79             6              88            1                0.992240
               79             6              89            1                0.991091
# -----------------------------------------------------------
$ 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     6.0619     6.0000    -0.0619     3.9880     3.6770     0.3110
  1   0     6.1901     6.0000    -0.1901     4.0287     3.7085     0.3202
  2   0     6.1560     6.0000    -0.1560     4.0015     3.6875     0.3140
  3   0     6.1467     6.0000    -0.1467     3.9825     3.6643     0.3182
  4   0     6.2387     6.0000    -0.2387     4.0051     3.6754     0.3297
  5   0     0.9096     1.0000     0.0904     0.9885     0.9393     0.0492
  6   0     0.9504     1.0000     0.0496     0.9981     0.9431     0.0550
  7   0     0.9148     1.0000     0.0852     0.9857     0.9332     0.0525
  8   0     0.9154     1.0000     0.0846     0.9851     0.9340     0.0511
  9   0     0.9177     1.0000     0.0823     0.9849     0.9351     0.0498
 10   0     0.9110     1.0000     0.0890     0.9854     0.9369     0.0485
 11   0     0.9306     1.0000     0.0694     0.9904     0.9381     0.0523
 12   0     0.9188     1.0000     0.0812     0.9877     0.9354     0.0523
 13   0     0.9354     1.0000     0.0646     0.9922     0.9361     0.0561
 14   0     0.9027     1.0000     0.0973     0.9799     0.9268     0.0531
 15   0     6.1898     6.0000    -0.1898     4.0201     3.7000     0.3201
 16   0     6.1456     6.0000    -0.1456     3.9909     3.6631     0.3278
 17   0     6.1547     6.0000    -0.1547     4.0019     3.6813     0.3206
 18   0     6.2241     6.0000    -0.2241     3.9999     3.6697     0.3302
 19   0     6.1431     6.0000    -0.1431     3.9872     3.6624     0.3248
 20   0     0.9123     1.0000     0.0877     0.9828     0.9299     0.0529
 21   0     0.9102     1.0000     0.0898     0.9838     0.9315     0.0523
 22   0     0.8999     1.0000     0.1001     0.9817     0.9287     0.0530
 23   0     0.9492     1.0000     0.0508     1.0060     0.9499     0.0561
 24   0     0.9127     1.0000     0.0873     0.9852     0.9362     0.0490
 25   0     0.9222     1.0000     0.0778     0.9905     0.9378     0.0527
 26   0     0.9086     1.0000     0.0914     0.9861     0.9341     0.0520
 27   0     0.9052     1.0000     0.0948     0.9860     0.9342     0.0518
 28   0     0.9136     1.0000     0.0864     0.9836     0.9293     0.0543
 29   0     0.9080     1.0000     0.0920     0.9861     0.9325     0.0536
 30   0     6.1502     6.0000    -0.1502     3.9953     3.6668     0.3285
 31   0     6.1679     6.0000    -0.1679     3.9952     3.6649     0.3303
 32   0     6.2013     6.0000    -0.2013     4.0330     3.7036     0.3294
 33   0     6.1948     6.0000    -0.1948     4.0326     3.7130     0.3196
 34   0     6.1264     6.0000    -0.1264     3.9743     3.6517     0.3226
 35   0     0.9392     1.0000     0.0608     1.0011     0.9429     0.0582
 36   0     0.9305     1.0000     0.0695     1.0100     0.9570     0.0530
 37   0     0.9107     1.0000     0.0893     0.9866     0.9365     0.0501
 38   0     0.9099     1.0000     0.0901     0.9748     0.9197     0.0551
 39   0     0.9141     1.0000     0.0859     0.9828     0.9281     0.0547
 40   0     0.9010     1.0000     0.0990     0.9811     0.9285     0.0526
 41   0     0.9093     1.0000     0.0907     0.9887     0.9376     0.0511
 42   0     0.9138     1.0000     0.0862     0.9867     0.9351     0.0516
 43   0     0.9100     1.0000     0.0900     0.9827     0.9291     0.0536
 44   0     0.9162     1.0000     0.0838     0.9900     0.9410     0.0490
 45   0     6.1620     6.0000    -0.1620     3.9841     3.6517     0.3324
 46   0     6.1367     6.0000    -0.1367     4.0083     3.6996     0.3087
 47   0     6.1896     6.0000    -0.1896     4.0111     3.6861     0.3250
 48   0     6.1512     6.0000    -0.1512     4.0176     3.6959     0.3217
 49   0     6.1537     6.0000    -0.1537     3.9623     3.6356     0.3267
 50   0     0.9725     1.0000     0.0275     1.0032     0.9440     0.0592
 51   0     0.9092     1.0000     0.0908     0.9842     0.9293     0.0549
 52   0     0.9099     1.0000     0.0901     0.9941     0.9447     0.0494
 53   0     0.9246     1.0000     0.0754     0.9919     0.9420     0.0499
 54   0     0.9073     1.0000     0.0927     0.9826     0.9301     0.0525
 55   0     0.9212     1.0000     0.0788     0.9847     0.9325     0.0522
 56   0     0.9078     1.0000     0.0922     0.9889     0.9363     0.0526
 57   0     0.9132     1.0000     0.0868     0.9848     0.9329     0.0519
 58   0     0.9181     1.0000     0.0819     0.9879     0.9349     0.0530
 59   0     0.9280     1.0000     0.0720     0.9914     0.9358     0.0556
 60   0     6.1442     6.0000    -0.1442     4.0349     3.7248     0.3101
 61   0     6.1383     6.0000    -0.1383     4.0057     3.6965     0.3092
 62   0     6.1958     6.0000    -0.1958     3.9960     3.6741     0.3219
 63   0     6.1604     6.0000    -0.1604     3.9732     3.6505     0.3227
 64   0     6.1641     6.0000    -0.1641     4.0032     3.6870     0.3162
 65   0     0.9243     1.0000     0.0757     0.9894     0.9362     0.0532
 66   0     0.9094     1.0000     0.0906     0.9853     0.9359     0.0494
 67   0     0.9141     1.0000     0.0859     0.9920     0.9429     0.0491
 68   0     0.9201     1.0000     0.0799     0.9881     0.9386     0.0495
 69   0     0.9268     1.0000     0.0732     0.9859     0.9322     0.0537
 70   0     0.9178     1.0000     0.0822     0.9871     0.9334     0.0537
 71   0     0.9409     1.0000     0.0591     0.9991     0.9450     0.0541
 72   0     0.9116     1.0000     0.0884     0.9867     0.9349     0.0518
 73   0     0.9190     1.0000     0.0810     0.9841     0.9309     0.0532
 74   0     0.9147     1.0000     0.0853     0.9848     0.9335     0.0513
 75   0     6.1516     6.0000    -0.1516     4.0077     3.6954     0.3123
 76   0     6.1719     6.0000    -0.1719     3.9714     3.6566     0.3148
 77   0     6.1488     6.0000    -0.1488     3.9962     3.6689     0.3273
 78   0     6.1458     6.0000    -0.1458     4.0156     3.6973     0.3183
 79   0     6.1907     6.0000    -0.1907     4.0207     3.7024     0.3183
 80   0     0.9269     1.0000     0.0731     0.9853     0.9305     0.0548
 81   0     0.9062     1.0000     0.0938     0.9889     0.9398     0.0491
 82   0     0.9275     1.0000     0.0725     0.9824     0.9293     0.0531
 83   0     0.9201     1.0000     0.0799     0.9817     0.9298     0.0519
 84   0     0.9125     1.0000     0.0875     0.9842     0.9287     0.0555
 85   0     0.9449     1.0000     0.0551     1.0033     0.9472     0.0561
 86   0     0.9114     1.0000     0.0886     0.9870     0.9332     0.0538
 87   0     0.9153     1.0000     0.0847     0.9887     0.9375     0.0512
 88   0     0.9088     1.0000     0.0912     0.9843     0.9335     0.0508
 89   0     0.9168     1.0000     0.0832     0.9845     0.9324     0.0521
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.923403
                0             6               4            6                0.897562
                0             6               5            1                0.946570
                0             6               6            1                0.952924
                1             6               2            6                0.905094
                1             6               7            1                0.953082
                1             6               8            1                0.949624
                2             6               3            6                0.907190
                2             6               9            1                0.958371
                2             6              10            1                0.953850
                3             6               4            6                0.893413
                3             6              11            1                0.951481
                3             6              12            1                0.949543
                4             6              13            1                0.954170
                4             6              14            1                0.945815
               15             6              16            6                0.899817
               15             6              19            6                0.918883
               15             6              20            1                0.956002
               15             6              21            1                0.946986
               16             6              17            6                0.895932
               16             6              22            1                0.944942
               16             6              23            1                0.964382
               17             6              18            6                0.903756
               17             6              24            1                0.953076
               17             6              25            1                0.952228
               18             6              19            6                0.895404
               18             6              26            1                0.955995
               18             6              27            1                0.948293
               19             6              28            1                0.950257
               19             6              29            1                0.944142
               30             6              31            6                0.902393
               30             6              34            6                0.904583
               30             6              35            1                0.949752
               30             6              36            1                0.955586
               31             6              32            6                0.908140
               31             6              37            1                0.956590
               31             6              38            1                0.935224
               32             6              33            6                0.914906
               32             6              39            1                0.955013
               32             6              40            1                0.944332
               33             6              34            6                0.899145
               33             6              41            1                0.963706
               33             6              42            1                0.955485
               34             6              43            1                0.948703
               34             6              44            1                0.956036
               45             6              46            6                0.905486
               45             6              49            6                0.890568
               45             6              50            1                0.960043
               45             6              51            1                0.938795
               46             6              47            6                0.909902
               46             6              52            1                0.951024
               46             6              53            1                0.963480
               47             6              48            6                0.915970
               47             6              54            1                0.945785
               47             6              55            1                0.956227
               48             6              49            6                0.907373
               48             6              56            1                0.943434
               48             6              57            1                0.951366
               49             6              58            1                0.946405
               49             6              59            1                0.944814
               60             6              61            6                0.923612
               60             6              64            6                0.927421
               60             6              65            1                0.946240
               60             6              66            1                0.948115
               61             6              62            6                0.898929
               61             6              67            1                0.956091
               61             6              68            1                0.955446
               62             6              63            6                0.906782
               62             6              69            1                0.956880
               62             6              70            1                0.947654
               63             6              64            6                0.884556
               63             6              71            1                0.949803
               63             6              72            1                0.945988
               64             6              73            1                0.954134
               64             6              74            1                0.961445
               75             6              76            6                0.903319
               75             6              79            6                0.914527
               75             6              80            1                0.952918
               75             6              81            1                0.951549
               76             6              77            6                0.891132
               76             6              82            1                0.952795
               76             6              83            1                0.959269
               77             6              78            6                0.915184
               77             6              84            1                0.939720
               77             6              85            1                0.954880
               78             6              79            6                0.909375
               78             6              86            1                0.947695
               78             6              87            1                0.953844
               79             6              88            1                0.952184
               79             6              89            1                0.949692
# -----------------------------------------------------------
$ 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     6.1345     6.0000    -0.1345     3.9734     3.6662     0.3072
  1   0     6.2310     6.0000    -0.2310     3.9920     3.6759     0.3161
  2   0     6.2141     6.0000    -0.2141     3.9763     3.6661     0.3102
  3   0     6.2014     6.0000    -0.2014     3.9608     3.6470     0.3138
  4   0     6.2781     6.0000    -0.2781     3.9760     3.6510     0.3250
  5   0     0.8864     1.0000     0.1136     0.9825     0.9343     0.0482
  6   0     0.9195     1.0000     0.0805     0.9966     0.9429     0.0537
  7   0     0.8895     1.0000     0.1105     0.9796     0.9282     0.0514
  8   0     0.8928     1.0000     0.1072     0.9798     0.9297     0.0501
  9   0     0.8896     1.0000     0.1104     0.9792     0.9306     0.0486
 10   0     0.8858     1.0000     0.1142     0.9791     0.9317     0.0474
 11   0     0.9019     1.0000     0.0981     0.9889     0.9379     0.0510
 12   0     0.8940     1.0000     0.1060     0.9807     0.9295     0.0512
 13   0     0.9041     1.0000     0.0959     0.9870     0.9324     0.0546
 14   0     0.8785     1.0000     0.1215     0.9733     0.9214     0.0519
 15   0     6.2392     6.0000    -0.2392     4.0074     3.6918     0.3156
 16   0     6.1976     6.0000    -0.1976     3.9714     3.6478     0.3236
 17   0     6.2051     6.0000    -0.2051     3.9810     3.6647     0.3163
 18   0     6.2802     6.0000    -0.2802     3.9904     3.6645     0.3259
 19   0     6.1862     6.0000    -0.1862     3.9653     3.6449     0.3204
 20   0     0.8873     1.0000     0.1127     0.9792     0.9275     0.0517
 21   0     0.8865     1.0000     0.1135     0.9745     0.9232     0.0513
 22   0     0.8781     1.0000     0.1219     0.9738     0.9218     0.0520
 23   0     0.9185     1.0000     0.0815     0.9988     0.9441     0.0547
 24   0     0.8896     1.0000     0.1104     0.9771     0.9291     0.0480
 25   0     0.8957     1.0000     0.1043     0.9884     0.9370     0.0514
 26   0     0.8812     1.0000     0.1188     0.9771     0.9264     0.0507
 27   0     0.8790     1.0000     0.1210     0.9824     0.9318     0.0506
 28   0     0.8908     1.0000     0.1092     0.9763     0.9230     0.0533
 29   0     0.8853     1.0000     0.1147     0.9797     0.9271     0.0526
 30   0     6.2030     6.0000    -0.2030     3.9744     3.6505     0.3239
 31   0     6.2135     6.0000    -0.2135     3.9884     3.6627     0.3257
 32   0     6.2408     6.0000    -0.2408     4.0191     3.6941     0.3250
 33   0     6.2432     6.0000    -0.2432     4.0207     3.7053     0.3154
 34   0     6.1861     6.0000    -0.1861     3.9744     3.6561     0.3183
 35   0     0.9127     1.0000     0.0873     0.9934     0.9367     0.0567
 36   0     0.8987     1.0000     0.1013     1.0026     0.9509     0.0517
 37   0     0.8836     1.0000     0.1164     0.9768     0.9280     0.0488
 38   0     0.8928     1.0000     0.1072     0.9727     0.9186     0.0541
 39   0     0.8902     1.0000     0.1098     0.9748     0.9212     0.0536
 40   0     0.8803     1.0000     0.1197     0.9732     0.9216     0.0516
 41   0     0.8811     1.0000     0.1189     0.9789     0.9291     0.0498
 42   0     0.8899     1.0000     0.1101     0.9783     0.9278     0.0505
 43   0     0.8850     1.0000     0.1150     0.9738     0.9214     0.0524
 44   0     0.8934     1.0000     0.1066     0.9830     0.9351     0.0479
 45   0     6.2143     6.0000    -0.2143     3.9616     3.6336     0.3280
 46   0     6.1940     6.0000    -0.1940     3.9992     3.6945     0.3047
 47   0     6.2384     6.0000    -0.2384     3.9898     3.6688     0.3210
 48   0     6.1962     6.0000    -0.1962     3.9996     3.6822     0.3174
 49   0     6.1990     6.0000    -0.1990     3.9482     3.6260     0.3222
 50   0     0.9431     1.0000     0.0569     1.0017     0.9441     0.0576
 51   0     0.8840     1.0000     0.1160     0.9755     0.9218     0.0537
 52   0     0.8859     1.0000     0.1141     0.9840     0.9356     0.0484
 53   0     0.8954     1.0000     0.1046     0.9840     0.9353     0.0487
 54   0     0.8843     1.0000     0.1157     0.9751     0.9236     0.0515
 55   0     0.8936     1.0000     0.1064     0.9750     0.9240     0.0510
 56   0     0.8857     1.0000     0.1143     0.9817     0.9301     0.0516
 57   0     0.8920     1.0000     0.1080     0.9797     0.9287     0.0510
 58   0     0.8964     1.0000     0.1036     0.9800     0.9280     0.0520
 59   0     0.9032     1.0000     0.0968     0.9893     0.9350     0.0543
 60   0     6.1967     6.0000    -0.1967     4.0176     3.7115     0.3061
 61   0     6.1975     6.0000    -0.1975     3.9938     3.6882     0.3056
 62   0     6.2367     6.0000    -0.2367     3.9685     3.6510     0.3175
 63   0     6.2203     6.0000    -0.2203     3.9610     3.6423     0.3187
 64   0     6.2116     6.0000    -0.2116     3.9761     3.6640     0.3121
 65   0     0.8979     1.0000     0.1021     0.9807     0.9286     0.0521
 66   0     0.8874     1.0000     0.1126     0.9796     0.9311     0.0485
 67   0     0.8887     1.0000     0.1113     0.9832     0.9352     0.0480
 68   0     0.8944     1.0000     0.1056     0.9798     0.9313     0.0485
 69   0     0.9007     1.0000     0.0993     0.9785     0.9259     0.0526
 70   0     0.8911     1.0000     0.1089     0.9801     0.9276     0.0525
 71   0     0.9075     1.0000     0.0925     0.9888     0.9361     0.0527
 72   0     0.8874     1.0000     0.1126     0.9796     0.9289     0.0507
 73   0     0.8931     1.0000     0.1069     0.9766     0.9246     0.0520
 74   0     0.8899     1.0000     0.1101     0.9781     0.9278     0.0503
 75   0     6.1975     6.0000    -0.1975     3.9876     3.6795     0.3081
 76   0     6.2264     6.0000    -0.2264     3.9543     3.6436     0.3107
 77   0     6.2033     6.0000    -0.2033     3.9785     3.6555     0.3230
 78   0     6.1989     6.0000    -0.1989     4.0022     3.6881     0.3141
 79   0     6.2404     6.0000    -0.2404     4.0095     3.6953     0.3142
 80   0     0.9016     1.0000     0.0984     0.9769     0.9231     0.0538
 81   0     0.8829     1.0000     0.1171     0.9812     0.9331     0.0481
 82   0     0.9002     1.0000     0.0998     0.9736     0.9216     0.0520
 83   0     0.8930     1.0000     0.1070     0.9751     0.9244     0.0507
 84   0     0.8876     1.0000     0.1124     0.9764     0.9220     0.0544
 85   0     0.9136     1.0000     0.0864     0.9967     0.9420     0.0547
 86   0     0.8904     1.0000     0.1096     0.9794     0.9265     0.0529
 87   0     0.8867     1.0000     0.1133     0.9850     0.9350     0.0500
 88   0     0.8842     1.0000     0.1158     0.9757     0.9260     0.0497
 89   0     0.8912     1.0000     0.1088     0.9749     0.9238     0.0511
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.928384
                0             6               4            6                0.906137
                0             6               5            1                0.934425
                0             6               6            1                0.941267
                1             6               2            6                0.905330
                1             6               7            1                0.941174
                1             6               8            1                0.936383
                2             6               3            6                0.912752
                2             6               9            1                0.948065
                2             6              10            1                0.942677
                3             6               4            6                0.896847
                3             6              11            1                0.940771
                3             6              12            1                0.935437
                4             6              13            1                0.939438
                4             6              14            1                0.931026
               15             6              16            6                0.912039
               15             6              19            6                0.928943
               15             6              20            1                0.941761
               15             6              21            1                0.929923
               16             6              17            6                0.901582
               16             6              22            1                0.928503
               16             6              23            1                0.949187
               17             6              18            6                0.909851
               17             6              24            1                0.940369
               17             6              25            1                0.939966
               18             6              19            6                0.903370
               18             6              26            1                0.942496
               18             6              27            1                0.937130
               19             6              28            1                0.933945
               19             6              29            1                0.930344
               30             6              31            6                0.912839
               30             6              34            6                0.913146
               30             6              35            1                0.926420
               30             6              36            1                0.943018
               31             6              32            6                0.921850
               31             6              37            1                0.945804
               31             6              38            1                0.918349
               32             6              33            6                0.924559
               32             6              39            1                0.938221
               32             6              40            1                0.929790
               33             6              34            6                0.915113
               33             6              41            1                0.947428
               33             6              42            1                0.938938
               34             6              43            1                0.932607
               34             6              44            1                0.943795
               45             6              46            6                0.914096
               45             6              49            6                0.897350
               45             6              50            1                0.945100
               45             6              51            1                0.926237
               46             6              47            6                0.918846
               46             6              52            1                0.935817
               46             6              53            1                0.954022
               47             6              48            6                0.921520
               47             6              54            1                0.930916
               47             6              55            1                0.942474
               48             6              49            6                0.918301
               48             6              56            1                0.931111
               48             6              57            1                0.939373
               49             6              58            1                0.931386
               49             6              59            1                0.932642
               60             6              61            6                0.929408
               60             6              64            6                0.939264
               60             6              65            1                0.932039
               60             6              66            1                0.936664
               61             6              62            6                0.908054
               61             6              67            1                0.943558
               61             6              68            1                0.944115
               62             6              63            6                0.914402
               62             6              69            1                0.942448
               62             6              70            1                0.934565
               63             6              64            6                0.888596
               63             6              71            1                0.938532
               63             6              72            1                0.935089
               64             6              73            1                0.938509
               64             6              74            1                0.947967
               75             6              76            6                0.912866
               75             6              79            6                0.923960
               75             6              80            1                0.937017
               75             6              81            1                0.939311
               76             6              77            6                0.900107
               76             6              82            1                0.937855
               76             6              83            1                0.947340
               77             6              78            6                0.922082
               77             6              84            1                0.925893
               77             6              85            1                0.942914
               78             6              79            6                0.921316
               78             6              86            1                0.930224
               78             6              87            1                0.945120
               79             6              88            1                0.939182
               79             6              89            1                0.934956
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2159131354
        Correlation Energy:       -5.0677539831
        Total MP2 Energy:      -1176.2836671184
# -----------------------------------------------------------
$ 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) :        0.2367834870
        Electronic Contribution:
                  0    
      0      -0.090291
      1      -0.080359
      2       0.520435
        Nuclear Contribution:
                  0    
      0       0.032134
      1       0.032134
      2      -0.465937
        Total Dipole moment:
                  0    
      0      -0.058158
      1      -0.048225
      2       0.054498
# -----------------------------------------------------------
$ 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) :        0.2361367534
        Electronic Contribution:
                  0    
      0      -0.091168
      1      -0.080520
      2       0.518892
        Nuclear Contribution:
                  0    
      0       0.032134
      1       0.032134
      2      -0.465937
        Total Dipole moment:
                  0    
      0      -0.059035
      1      -0.048387
      2       0.052956
# -----------------------------------------------------------
$ 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) :        0.2159613194
        Electronic Contribution:
                  0    
      0      -0.101985
      1      -0.077699
      2       0.482168
        Nuclear Contribution:
                  0    
      0       0.032134
      1       0.032134
      2      -0.465937
        Total Dipole moment:
                  0    
      0      -0.069851
      1      -0.045566
      2       0.016232
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     19.020000000000   22.870000000000   16.770000000000
               1 C     18.810000000000   24.350000000000   16.610000000000
               2 C     19.400000000000   25.050000000000   17.870000000000
               3 C     20.150000000000   24.010000000000   18.650000000000
               4 C     19.980000000000   22.660000000000   17.920000000000
               5 H     19.410000000000   22.410000000000   15.890000000000
               6 H     18.040000000000   22.480000000000   17.080000000000
               7 H     17.730000000000   24.610000000000   16.600000000000
               8 H     19.350000000000   24.640000000000   15.720000000000
               9 H     18.560000000000   25.450000000000   18.360000000000
              10 H     20.060000000000   25.830000000000   17.640000000000
              11 H     19.810000000000   23.980000000000   19.670000000000
              12 H     21.210000000000   24.290000000000   18.590000000000
              13 H     19.560000000000   21.920000000000   18.640000000000
              14 H     20.990000000000   22.250000000000   17.650000000000
              15 C     16.070000000000   21.720000000000   19.200000000000
              16 C     16.470000000000   23.060000000000   19.850000000000
              17 C     17.450000000000   22.770000000000   21.050000000000
              18 C     17.770000000000   21.270000000000   20.970000000000
              19 C     16.690000000000   20.620000000000   19.990000000000
              20 H     16.360000000000   21.620000000000   18.140000000000
              21 H     14.980000000000   21.550000000000   19.160000000000
              22 H     15.630000000000   23.750000000000   20.140000000000
              23 H     17.000000000000   23.670000000000   19.110000000000
              24 H     16.950000000000   22.960000000000   21.950000000000
              25 H     18.310000000000   23.430000000000   20.950000000000
              26 H     17.680000000000   20.850000000000   21.980000000000
              27 H     18.780000000000   21.060000000000   20.660000000000
              28 H     15.930000000000   20.130000000000   20.670000000000
              29 H     17.130000000000   19.870000000000   19.270000000000
              30 C     22.610000000000   21.110000000000   20.580000000000
              31 C     23.140000000000   22.360000000000   21.330000000000
              32 C     22.230000000000   22.540000000000   22.610000000000
              33 C     21.350000000000   21.270000000000   22.690000000000
              34 C     21.910000000000   20.250000000000   21.690000000000
              35 H     23.490000000000   20.550000000000   20.100000000000
              36 H     21.920000000000   21.340000000000   19.770000000000
              37 H     22.960000000000   23.160000000000   20.670000000000
              38 H     24.270000000000   22.330000000000   21.540000000000
              39 H     21.600000000000   23.450000000000   22.420000000000
              40 H     22.790000000000   22.790000000000   23.540000000000
              41 H     20.330000000000   21.520000000000   22.520000000000
              42 H     21.290000000000   20.870000000000   23.690000000000
              43 H     21.090000000000   19.620000000000   21.260000000000
              44 H     22.600000000000   19.550000000000   22.030000000000
              45 C     25.690000000000   21.430000000000   18.340000000000
              46 C     26.930000000000   20.760000000000   17.730000000000
              47 C     28.010000000000   21.810000000000   17.900000000000
              48 C     27.600000000000   22.840000000000   19.050000000000
              49 C     26.090000000000   22.780000000000   19.100000000000
              50 H     25.250000000000   20.770000000000   19.090000000000
              51 H     24.820000000000   21.580000000000   17.620000000000
              52 H     26.750000000000   20.430000000000   16.740000000000
              53 H     27.240000000000   19.910000000000   18.250000000000
              54 H     28.350000000000   22.380000000000   17.020000000000
              55 H     28.910000000000   21.280000000000   18.150000000000
              56 H     27.980000000000   23.850000000000   18.740000000000
              57 H     27.860000000000   22.490000000000   20.050000000000
              58 H     25.620000000000   23.570000000000   18.490000000000
              59 H     25.680000000000   22.720000000000   20.150000000000
              60 C     17.310000000000   22.600000000000   27.270000000000
              61 C     17.690000000000   21.150000000000   27.080000000000
              62 C     18.360000000000   21.170000000000   25.690000000000
              63 C     18.790000000000   22.550000000000   25.260000000000
              64 C     18.130000000000   23.420000000000   26.330000000000
              65 H     17.620000000000   22.870000000000   28.300000000000
              66 H     16.260000000000   22.740000000000   27.120000000000
              67 H     16.880000000000   20.470000000000   27.110000000000
              68 H     18.400000000000   20.810000000000   27.780000000000
              69 H     17.610000000000   20.830000000000   24.970000000000
              70 H     19.240000000000   20.510000000000   25.570000000000
              71 H     18.320000000000   22.740000000000   24.270000000000
              72 H     19.880000000000   22.740000000000   25.290000000000
              73 H     17.540000000000   24.210000000000   25.830000000000
              74 H     18.990000000000   23.920000000000   26.730000000000
              75 C     26.930000000000   16.780000000000   22.010000000000
              76 C     26.910000000000   17.150000000000   20.580000000000
              77 C     25.470000000000   17.320000000000   20.120000000000
              78 C     24.560000000000   16.720000000000   21.240000000000
              79 C     25.500000000000   16.340000000000   22.380000000000
              80 H     27.230000000000   17.760000000000   22.460000000000
              81 H     27.680000000000   16.090000000000   22.310000000000
              82 H     27.370000000000   16.370000000000   19.970000000000
              83 H     27.500000000000   18.030000000000   20.350000000000
              84 H     25.390000000000   16.740000000000   19.130000000000
              85 H     25.390000000000   18.420000000000   19.950000000000
              86 H     24.090000000000   15.740000000000   20.910000000000
              87 H     23.870000000000   17.510000000000   21.440000000000
              88 H     25.410000000000   15.300000000000   22.640000000000
              89 H     25.140000000000   16.790000000000   23.300000000000
