-------------------------------------------------------------
----------------------- !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:    -1171.1972267793
# -----------------------------------------------------------
$ 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     6.1912     6.0000    -0.1912     3.9316     3.9316     0.0000
  1   0     6.1156     6.0000    -0.1156     3.8591     3.8591    -0.0000
  2   0     6.2274     6.0000    -0.2274     3.8992     3.8992    -0.0000
  3   0     6.1665     6.0000    -0.1665     3.9077     3.9077    -0.0000
  4   0     6.1267     6.0000    -0.1267     3.8678     3.8678     0.0000
  5   0     0.9089     1.0000     0.0911     0.9689     0.9689    -0.0000
  6   0     0.9211     1.0000     0.0789     0.9742     0.9742     0.0000
  7   0     0.9001     1.0000     0.0999     0.9684     0.9684    -0.0000
  8   0     0.9503     1.0000     0.0497     0.9920     0.9920    -0.0000
  9   0     0.9071     1.0000     0.0929     0.9727     0.9727     0.0000
 10   0     0.9118     1.0000     0.0882     0.9678     0.9678     0.0000
 11   0     0.9218     1.0000     0.0782     0.9734     0.9734    -0.0000
 12   0     0.9124     1.0000     0.0876     0.9750     0.9750    -0.0000
 13   0     0.9078     1.0000     0.0922     0.9733     0.9733     0.0000
 14   0     0.9331     1.0000     0.0669     0.9841     0.9841     0.0000
 15   0     6.1919     6.0000    -0.1919     3.8871     3.8871    -0.0000
 16   0     6.0439     6.0000    -0.0439     3.8428     3.8428    -0.0000
 17   0     6.1830     6.0000    -0.1830     3.9156     3.9156    -0.0000
 18   0     6.1607     6.0000    -0.1607     3.9039     3.9039     0.0000
 19   0     6.1729     6.0000    -0.1729     3.9207     3.9207     0.0000
 20   0     0.9347     1.0000     0.0653     0.9839     0.9839    -0.0000
 21   0     0.9261     1.0000     0.0739     0.9723     0.9723     0.0000
 22   0     0.9955     1.0000     0.0045     1.0372     1.0372    -0.0000
 23   0     0.9113     1.0000     0.0887     0.9771     0.9771    -0.0000
 24   0     0.8886     1.0000     0.1114     0.9630     0.9630     0.0000
 25   0     0.9293     1.0000     0.0707     0.9743     0.9743    -0.0000
 26   0     0.9054     1.0000     0.0946     0.9767     0.9767     0.0000
 27   0     0.9168     1.0000     0.0832     0.9719     0.9719     0.0000
 28   0     0.9282     1.0000     0.0718     0.9810     0.9810     0.0000
 29   0     0.9161     1.0000     0.0839     0.9754     0.9754     0.0000
 30   0     6.1611     6.0000    -0.1611     3.9034     3.9034     0.0000
 31   0     6.1929     6.0000    -0.1929     3.8774     3.8774    -0.0000
 32   0     6.1404     6.0000    -0.1404     3.8542     3.8542    -0.0000
 33   0     6.1653     6.0000    -0.1653     3.8976     3.8976     0.0000
 34   0     6.1418     6.0000    -0.1418     3.9208     3.9208     0.0000
 35   0     0.9288     1.0000     0.0712     0.9767     0.9767    -0.0000
 36   0     0.9122     1.0000     0.0878     0.9757     0.9757    -0.0000
 37   0     0.9202     1.0000     0.0798     0.9780     0.9780    -0.0000
 38   0     0.9318     1.0000     0.0682     0.9795     0.9795    -0.0000
 39   0     0.9200     1.0000     0.0800     0.9811     0.9811    -0.0000
 40   0     0.9141     1.0000     0.0859     0.9738     0.9738     0.0000
 41   0     0.9138     1.0000     0.0862     0.9710     0.9710     0.0000
 42   0     0.9237     1.0000     0.0763     0.9794     0.9794     0.0000
 43   0     0.9237     1.0000     0.0763     0.9841     0.9841     0.0000
 44   0     0.9090     1.0000     0.0910     0.9735     0.9735     0.0000
 45   0     6.1226     6.0000    -0.1226     3.8886     3.8886     0.0000
 46   0     6.1584     6.0000    -0.1584     3.9549     3.9549     0.0000
 47   0     6.1310     6.0000    -0.1310     3.8875     3.8875     0.0000
 48   0     6.1953     6.0000    -0.1953     3.8792     3.8792     0.0000
 49   0     6.1492     6.0000    -0.1492     3.9046     3.9046     0.0000
 50   0     0.9156     1.0000     0.0844     0.9844     0.9844    -0.0000
 51   0     0.9509     1.0000     0.0491     0.9930     0.9930     0.0000
 52   0     0.9146     1.0000     0.0854     0.9743     0.9743     0.0000
 53   0     0.9057     1.0000     0.0943     0.9739     0.9739     0.0000
 54   0     0.9491     1.0000     0.0509     0.9965     0.9965     0.0000
 55   0     0.9147     1.0000     0.0853     0.9723     0.9723    -0.0000
 56   0     0.9068     1.0000     0.0932     0.9672     0.9672     0.0000
 57   0     0.9284     1.0000     0.0716     0.9741     0.9741     0.0000
 58   0     0.9425     1.0000     0.0575     0.9815     0.9815    -0.0000
 59   0     0.9125     1.0000     0.0875     0.9742     0.9742    -0.0000
 60   0     6.1288     6.0000    -0.1288     3.9075     3.9075     0.0000
 61   0     6.1538     6.0000    -0.1538     3.8978     3.8978     0.0000
 62   0     6.1767     6.0000    -0.1767     3.8931     3.8931     0.0000
 63   0     6.1525     6.0000    -0.1525     3.9093     3.9093     0.0000
 64   0     6.1516     6.0000    -0.1516     3.8918     3.8918     0.0000
 65   0     0.9171     1.0000     0.0829     0.9851     0.9851    -0.0000
 66   0     0.9374     1.0000     0.0626     0.9833     0.9833     0.0000
 67   0     0.9256     1.0000     0.0744     0.9821     0.9821     0.0000
 68   0     0.9226     1.0000     0.0774     0.9758     0.9758     0.0000
 69   0     0.9250     1.0000     0.0750     0.9748     0.9748     0.0000
 70   0     0.9186     1.0000     0.0814     0.9739     0.9739     0.0000
 71   0     0.9217     1.0000     0.0783     0.9783     0.9783     0.0000
 72   0     0.9206     1.0000     0.0794     0.9805     0.9805     0.0000
 73   0     0.9230     1.0000     0.0770     0.9803     0.9803     0.0000
 74   0     0.9252     1.0000     0.0748     0.9773     0.9773     0.0000
 75   0     6.1951     6.0000    -0.1951     3.8742     3.8742    -0.0000
 76   0     6.1051     6.0000    -0.1051     3.8211     3.8211     0.0000
 77   0     6.1346     6.0000    -0.1346     3.9207     3.9207     0.0000
 78   0     6.1453     6.0000    -0.1453     3.9131     3.9131     0.0000
 79   0     6.2146     6.0000    -0.2146     3.9135     3.9135     0.0000
 80   0     0.9171     1.0000     0.0829     0.9711     0.9711    -0.0000
 81   0     0.9264     1.0000     0.0736     0.9738     0.9738    -0.0000
 82   0     0.9393     1.0000     0.0607     0.9855     0.9855     0.0000
 83   0     0.9159     1.0000     0.0841     0.9784     0.9784     0.0000
 84   0     0.9340     1.0000     0.0660     0.9834     0.9834    -0.0000
 85   0     0.9165     1.0000     0.0835     0.9752     0.9752    -0.0000
 86   0     0.9194     1.0000     0.0806     0.9732     0.9732    -0.0000
 87   0     0.9158     1.0000     0.0842     0.9760     0.9760     0.0000
 88   0     0.9096     1.0000     0.0904     0.9743     0.9743    -0.0000
 89   0     0.9086     1.0000     0.0914     0.9737     0.9737     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                0.978244
                0             6               4            6                0.969882
                0             6               5            1                0.992668
                0             6               6            1                0.992857
                1             6               2            6                0.950381
                1             6               7            1                0.986717
                1             6               8            1                0.996070
                2             6               3            6                0.983556
                2             6               9            1                0.989392
                2             6              10            1                0.990682
                3             6               4            6                0.971530
                3             6              11            1                0.989911
                3             6              12            1                0.988383
                4             6              13            1                0.986145
                4             6              14            1                0.997189
               15             6              16            6                0.955582
               15             6              19            6                0.959588
               15             6              20            1                1.001104
               15             6              21            1                0.993047
               16             6              17            6                0.961957
               16             6              22            1                1.001960
               16             6              23            1                0.988588
               17             6              18            6                0.973268
               17             6              24            1                0.976450
               17             6              25            1                1.007610
               18             6              19            6                0.982941
               18             6              26            1                0.982188
               18             6              27            1                1.002459
               19             6              28            1                0.995506
               19             6              29            1                0.998341
               30             6              31            6                0.965427
               30             6              34            6                0.981345
               30             6              35            1                0.998164
               30             6              36            1                0.998188
               31             6              32            6                0.953533
               31             6              37            1                0.997771
               31             6              38            1                0.992782
               32             6              33            6                0.954242
               32             6              39            1                1.001863
               32             6              40            1                0.996077
               33             6              34            6                0.979309
               33             6              41            1                1.002077
               33             6              42            1                1.001136
               34             6              43            1                1.000486
               34             6              44            1                0.989386
               45             6              46            6                0.984906
               45             6              49            6                0.958474
               45             6              50            1                0.990439
               45             6              51            1                1.000963
               46             6              47            6                0.993218
               46             6              52            1                0.986899
               46             6              53            1                0.980060
               47             6              48            6                0.954250
               47             6              54            1                1.003797
               47             6              55            1                0.987553
               48             6              49            6                0.970855
               48             6              56            1                0.990087
               48             6              57            1                0.999744
               49             6              58            1                1.002895
               49             6              59            1                0.990575
               60             6              61            6                0.986178
               60             6              64            6                0.967060
               60             6              65            1                0.984013
               60             6              66            1                0.988532
               61             6              62            6                0.962659
               61             6              67            1                0.990964
               61             6              68            1                0.988176
               62             6              63            6                0.978475
               62             6              69            1                0.990109
               62             6              70            1                0.993694
               63             6              64            6                0.973588
               63             6              71            1                0.988319
               63             6              72            1                0.989028
               64             6              73            1                0.990549
               64             6              74            1                0.994645
               75             6              76            6                0.936656
               75             6              79            6                0.975613
               75             6              80            1                0.990136
               75             6              81            1                0.993028
               76             6              77            6                0.953500
               76             6              82            1                0.998546
               76             6              83            1                1.003903
               77             6              78            6                0.998038
               77             6              84            1                0.994907
               77             6              85            1                0.992204
               78             6              79            6                0.971142
               78             6              86            1                0.994421
               78             6              87            1                1.001260
               79             6              88            1                0.990678
               79             6              89            1                0.996259
# -----------------------------------------------------------
$ 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     6.2000     6.0000    -0.2000     4.0431     3.7191     0.3240
  1   0     6.1235     6.0000    -0.1235     3.9676     3.6444     0.3232
  2   0     6.2341     6.0000    -0.2341     4.0125     3.6818     0.3307
  3   0     6.1748     6.0000    -0.1748     4.0176     3.6936     0.3240
  4   0     6.1337     6.0000    -0.1337     3.9737     3.6569     0.3168
  5   0     0.9049     1.0000     0.0951     0.9778     0.9266     0.0512
  6   0     0.9171     1.0000     0.0829     0.9838     0.9310     0.0528
  7   0     0.8960     1.0000     0.1040     0.9771     0.9249     0.0522
  8   0     0.9471     1.0000     0.0529     1.0036     0.9458     0.0578
  9   0     0.9032     1.0000     0.0968     0.9819     0.9287     0.0532
 10   0     0.9083     1.0000     0.0917     0.9778     0.9227     0.0551
 11   0     0.9180     1.0000     0.0820     0.9832     0.9291     0.0541
 12   0     0.9084     1.0000     0.0916     0.9841     0.9318     0.0523
 13   0     0.9037     1.0000     0.0963     0.9822     0.9298     0.0524
 14   0     0.9297     1.0000     0.0703     0.9947     0.9433     0.0514
 15   0     6.1989     6.0000    -0.1989     3.9987     3.6753     0.3234
 16   0     6.0503     6.0000    -0.0503     3.9441     3.6305     0.3136
 17   0     6.1920     6.0000    -0.1920     4.0292     3.6974     0.3318
 18   0     6.1682     6.0000    -0.1682     4.0123     3.6886     0.3237
 19   0     6.1808     6.0000    -0.1808     4.0305     3.7064     0.3241
 20   0     0.9313     1.0000     0.0687     0.9948     0.9408     0.0540
 21   0     0.9224     1.0000     0.0776     0.9827     0.9296     0.0531
 22   0     0.9928     1.0000     0.0072     1.0503     0.9925     0.0578
 23   0     0.9071     1.0000     0.0929     0.9859     0.9360     0.0499
 24   0     0.8849     1.0000     0.1151     0.9717     0.9190     0.0527
 25   0     0.9250     1.0000     0.0750     0.9839     0.9288     0.0551
 26   0     0.9017     1.0000     0.0983     0.9858     0.9328     0.0530
 27   0     0.9128     1.0000     0.0872     0.9813     0.9287     0.0526
 28   0     0.9243     1.0000     0.0757     0.9907     0.9379     0.0528
 29   0     0.9122     1.0000     0.0878     0.9847     0.9326     0.0521
 30   0     6.1688     6.0000    -0.1688     4.0115     3.6961     0.3154
 31   0     6.1999     6.0000    -0.1999     3.9888     3.6695     0.3193
 32   0     6.1489     6.0000    -0.1489     3.9641     3.6510     0.3131
 33   0     6.1733     6.0000    -0.1733     4.0068     3.6887     0.3181
 34   0     6.1494     6.0000    -0.1494     4.0265     3.7135     0.3130
 35   0     0.9249     1.0000     0.0751     0.9863     0.9324     0.0539
 36   0     0.9084     1.0000     0.0916     0.9848     0.9366     0.0482
 37   0     0.9163     1.0000     0.0837     0.9876     0.9365     0.0511
 38   0     0.9278     1.0000     0.0722     0.9898     0.9349     0.0549
 39   0     0.9158     1.0000     0.0842     0.9899     0.9408     0.0491
 40   0     0.9102     1.0000     0.0898     0.9831     0.9316     0.0515
 41   0     0.9099     1.0000     0.0901     0.9803     0.9263     0.0540
 42   0     0.9198     1.0000     0.0802     0.9888     0.9367     0.0521
 43   0     0.9199     1.0000     0.0801     0.9935     0.9431     0.0504
 44   0     0.9053     1.0000     0.0947     0.9826     0.9324     0.0502
 45   0     6.1297     6.0000    -0.1297     3.9951     3.6792     0.3159
 46   0     6.1673     6.0000    -0.1673     4.0652     3.7331     0.3321
 47   0     6.1387     6.0000    -0.1387     3.9955     3.6705     0.3250
 48   0     6.2034     6.0000    -0.2034     3.9906     3.6702     0.3204
 49   0     6.1566     6.0000    -0.1566     4.0109     3.6983     0.3126
 50   0     0.9117     1.0000     0.0883     0.9940     0.9454     0.0486
 51   0     0.9469     1.0000     0.0531     1.0035     0.9492     0.0543
 52   0     0.9106     1.0000     0.0894     0.9835     0.9316     0.0519
 53   0     0.9017     1.0000     0.0983     0.9828     0.9289     0.0539
 54   0     0.9457     1.0000     0.0543     1.0075     0.9533     0.0542
 55   0     0.9106     1.0000     0.0894     0.9815     0.9276     0.0539
 56   0     0.9031     1.0000     0.0969     0.9764     0.9267     0.0497
 57   0     0.9243     1.0000     0.0757     0.9838     0.9291     0.0547
 58   0     0.9388     1.0000     0.0612     0.9922     0.9372     0.0550
 59   0     0.9084     1.0000     0.0916     0.9834     0.9345     0.0489
 60   0     6.1366     6.0000    -0.1366     4.0140     3.6967     0.3173
 61   0     6.1618     6.0000    -0.1618     4.0054     3.6887     0.3167
 62   0     6.1850     6.0000    -0.1850     4.0021     3.6824     0.3197
 63   0     6.1603     6.0000    -0.1603     4.0166     3.6982     0.3184
 64   0     6.1593     6.0000    -0.1593     3.9989     3.6835     0.3154
 65   0     0.9129     1.0000     0.0871     0.9939     0.9454     0.0485
 66   0     0.9339     1.0000     0.0661     0.9941     0.9393     0.0548
 67   0     0.9215     1.0000     0.0785     0.9914     0.9403     0.0511
 68   0     0.9186     1.0000     0.0814     0.9854     0.9317     0.0537
 69   0     0.9211     1.0000     0.0789     0.9844     0.9309     0.0535
 70   0     0.9147     1.0000     0.0853     0.9832     0.9301     0.0531
 71   0     0.9178     1.0000     0.0822     0.9877     0.9368     0.0509
 72   0     0.9167     1.0000     0.0833     0.9899     0.9383     0.0516
 73   0     0.9190     1.0000     0.0810     0.9897     0.9372     0.0525
 74   0     0.9213     1.0000     0.0787     0.9870     0.9363     0.0507
 75   0     6.2015     6.0000    -0.2015     3.9855     3.6597     0.3258
 76   0     6.1127     6.0000    -0.1127     3.9296     3.6130     0.3166
 77   0     6.1429     6.0000    -0.1429     4.0270     3.7119     0.3151
 78   0     6.1532     6.0000    -0.1532     4.0211     3.6975     0.3236
 79   0     6.2224     6.0000    -0.2224     4.0269     3.6963     0.3306
 80   0     0.9131     1.0000     0.0869     0.9809     0.9257     0.0552
 81   0     0.9223     1.0000     0.0777     0.9834     0.9293     0.0541
 82   0     0.9361     1.0000     0.0639     0.9971     0.9412     0.0559
 83   0     0.9117     1.0000     0.0883     0.9874     0.9377     0.0497
 84   0     0.9302     1.0000     0.0698     0.9931     0.9414     0.0517
 85   0     0.9127     1.0000     0.0873     0.9845     0.9332     0.0513
 86   0     0.9156     1.0000     0.0844     0.9828     0.9285     0.0543
 87   0     0.9121     1.0000     0.0879     0.9855     0.9325     0.0530
 88   0     0.9057     1.0000     0.0943     0.9831     0.9303     0.0528
 89   0     0.9049     1.0000     0.0951     0.9829     0.9311     0.0518
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.916792
                0             6               4            6                0.905698
                0             6               5            1                0.951559
                0             6               6            1                0.951000
                1             6               2            6                0.887612
                1             6               7            1                0.944438
                1             6               8            1                0.951022
                2             6               3            6                0.919640
                2             6               9            1                0.946679
                2             6              10            1                0.946781
                3             6               4            6                0.909344
                3             6              11            1                0.947031
                3             6              12            1                0.946797
                4             6              13            1                0.944340
                4             6              14            1                0.957343
               15             6              16            6                0.893833
               15             6              19            6                0.896699
               15             6              20            1                0.958993
               15             6              21            1                0.951251
               16             6              17            6                0.897494
               16             6              22            1                0.958644
               16             6              23            1                0.948603
               17             6              18            6                0.910133
               17             6              24            1                0.933960
               17             6              25            1                0.962977
               18             6              19            6                0.918431
               18             6              26            1                0.939968
               18             6              27            1                0.960013
               19             6              28            1                0.953755
               19             6              29            1                0.956679
               30             6              31            6                0.905286
               30             6              34            6                0.918281
               30             6              35            1                0.954910
               30             6              36            1                0.960227
               31             6              32            6                0.893260
               31             6              37            1                0.957144
               31             6              38            1                0.949152
               32             6              33            6                0.894604
               32             6              39            1                0.962783
               32             6              40            1                0.954804
               33             6              34            6                0.918193
               33             6              41            1                0.958580
               33             6              42            1                0.959519
               34             6              43            1                0.960749
               34             6              44            1                0.949654
               45             6              46            6                0.919466
               45             6              49            6                0.898850
               45             6              50            1                0.952819
               45             6              51            1                0.957856
               46             6              47            6                0.926081
               46             6              52            1                0.945492
               46             6              53            1                0.936703
               47             6              48            6                0.892616
               47             6              54            1                0.961413
               47             6              55            1                0.944170
               48             6              49            6                0.909631
               48             6              56            1                0.950853
               48             6              57            1                0.955921
               49             6              58            1                0.959740
               49             6              59            1                0.952204
               60             6              61            6                0.921994
               60             6              64            6                0.905439
               60             6              65            1                0.945999
               60             6              66            1                0.946098
               61             6              62            6                0.904195
               61             6              67            1                0.950715
               61             6              68            1                0.945504
               62             6              63            6                0.914236
               62             6              69            1                0.947562
               62             6              70            1                0.951314
               63             6              64            6                0.911438
               63             6              71            1                0.948316
               63             6              72            1                0.948232
               64             6              73            1                0.949058
               64             6              74            1                0.954970
               75             6              76            6                0.876405
               75             6              79            6                0.912913
               75             6              80            1                0.945661
               75             6              81            1                0.949336
               76             6              77            6                0.891222
               76             6              82            1                0.955132
               76             6              83            1                0.963893
               77             6              78            6                0.937084
               77             6              84            1                0.954057
               77             6              85            1                0.951476
               78             6              79            6                0.904508
               78             6              86            1                0.950862
               78             6              87            1                0.958759
               79             6              88            1                0.947887
               79             6              89            1                0.954693
# -----------------------------------------------------------
$ 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     6.2445     6.0000    -0.2445     4.0236     3.7040     0.3196
  1   0     6.1824     6.0000    -0.1824     3.9746     3.6557     0.3189
  2   0     6.2712     6.0000    -0.2712     3.9988     3.6727     0.3261
  3   0     6.2211     6.0000    -0.2211     4.0032     3.6837     0.3195
  4   0     6.1831     6.0000    -0.1831     3.9553     3.6426     0.3127
  5   0     0.8815     1.0000     0.1185     0.9717     0.9216     0.0501
  6   0     0.8930     1.0000     0.1070     0.9748     0.9230     0.0518
  7   0     0.8770     1.0000     0.1230     0.9710     0.9197     0.0513
  8   0     0.9200     1.0000     0.0800     1.0002     0.9439     0.0563
  9   0     0.8811     1.0000     0.1189     0.9722     0.9201     0.0521
 10   0     0.8825     1.0000     0.1175     0.9736     0.9198     0.0538
 11   0     0.8942     1.0000     0.1058     0.9742     0.9210     0.0532
 12   0     0.8848     1.0000     0.1152     0.9766     0.9254     0.0512
 13   0     0.8842     1.0000     0.1158     0.9748     0.9233     0.0515
 14   0     0.9010     1.0000     0.0990     0.9909     0.9407     0.0502
 15   0     6.2490     6.0000    -0.2490     3.9825     3.6637     0.3188
 16   0     6.1258     6.0000    -0.1258     3.9485     3.6388     0.3097
 17   0     6.2344     6.0000    -0.2344     4.0063     3.6792     0.3271
 18   0     6.2162     6.0000    -0.2162     3.9943     3.6750     0.3193
 19   0     6.2249     6.0000    -0.2249     4.0083     3.6885     0.3198
 20   0     0.9031     1.0000     0.0969     0.9861     0.9334     0.0527
 21   0     0.8946     1.0000     0.1054     0.9793     0.9276     0.0517
 22   0     0.9530     1.0000     0.0470     1.0410     0.9849     0.0561
 23   0     0.8839     1.0000     0.1161     0.9793     0.9305     0.0488
 24   0     0.8646     1.0000     0.1354     0.9711     0.9196     0.0515
 25   0     0.8997     1.0000     0.1003     0.9744     0.9204     0.0540
 26   0     0.8787     1.0000     0.1213     0.9792     0.9273     0.0519
 27   0     0.8892     1.0000     0.1108     0.9728     0.9212     0.0516
 28   0     0.8990     1.0000     0.1010     0.9852     0.9337     0.0515
 29   0     0.8880     1.0000     0.1120     0.9757     0.9247     0.0510
 30   0     6.2191     6.0000    -0.2191     3.9979     3.6866     0.3113
 31   0     6.2518     6.0000    -0.2518     3.9765     3.6616     0.3149
 32   0     6.2126     6.0000    -0.2126     3.9655     3.6563     0.3092
 33   0     6.2182     6.0000    -0.2182     3.9914     3.6776     0.3138
 34   0     6.2050     6.0000    -0.2050     4.0112     3.7018     0.3094
 35   0     0.8973     1.0000     0.1027     0.9767     0.9240     0.0527
 36   0     0.8835     1.0000     0.1165     0.9770     0.9298     0.0472
 37   0     0.8883     1.0000     0.1117     0.9787     0.9289     0.0498
 38   0     0.8978     1.0000     0.1022     0.9820     0.9286     0.0534
 39   0     0.8864     1.0000     0.1136     0.9787     0.9309     0.0478
 40   0     0.8846     1.0000     0.1154     0.9755     0.9251     0.0504
 41   0     0.8871     1.0000     0.1129     0.9726     0.9196     0.0530
 42   0     0.8931     1.0000     0.1069     0.9793     0.9283     0.0510
 43   0     0.8930     1.0000     0.1070     0.9823     0.9330     0.0493
 44   0     0.8823     1.0000     0.1177     0.9753     0.9261     0.0492
 45   0     6.1986     6.0000    -0.1986     3.9949     3.6831     0.3118
 46   0     6.2044     6.0000    -0.2044     4.0406     3.7130     0.3276
 47   0     6.1956     6.0000    -0.1956     3.9779     3.6572     0.3207
 48   0     6.2483     6.0000    -0.2483     3.9700     3.6543     0.3157
 49   0     6.2056     6.0000    -0.2056     3.9786     3.6703     0.3083
 50   0     0.8878     1.0000     0.1122     0.9872     0.9397     0.0475
 51   0     0.9095     1.0000     0.0905     0.9929     0.9402     0.0527
 52   0     0.8890     1.0000     0.1110     0.9793     0.9285     0.0508
 53   0     0.8852     1.0000     0.1148     0.9767     0.9235     0.0532
 54   0     0.9127     1.0000     0.0873     1.0008     0.9480     0.0528
 55   0     0.8891     1.0000     0.1109     0.9739     0.9210     0.0529
 56   0     0.8791     1.0000     0.1209     0.9727     0.9241     0.0486
 57   0     0.8971     1.0000     0.1029     0.9738     0.9203     0.0535
 58   0     0.9053     1.0000     0.0947     0.9846     0.9311     0.0535
 59   0     0.8874     1.0000     0.1126     0.9775     0.9296     0.0479
 60   0     6.1916     6.0000    -0.1916     3.9965     3.6833     0.3132
 61   0     6.2098     6.0000    -0.2098     3.9848     3.6725     0.3123
 62   0     6.2292     6.0000    -0.2292     3.9806     3.6654     0.3152
 63   0     6.2075     6.0000    -0.2075     3.9860     3.6716     0.3144
 64   0     6.2140     6.0000    -0.2140     3.9791     3.6677     0.3114
 65   0     0.8890     1.0000     0.1110     0.9859     0.9384     0.0475
 66   0     0.9074     1.0000     0.0926     0.9917     0.9381     0.0536
 67   0     0.8949     1.0000     0.1051     0.9847     0.9348     0.0499
 68   0     0.8958     1.0000     0.1042     0.9787     0.9260     0.0527
 69   0     0.8959     1.0000     0.1041     0.9781     0.9257     0.0524
 70   0     0.8907     1.0000     0.1093     0.9763     0.9243     0.0520
 71   0     0.8941     1.0000     0.1059     0.9820     0.9321     0.0499
 72   0     0.8929     1.0000     0.1071     0.9830     0.9324     0.0506
 73   0     0.8908     1.0000     0.1092     0.9812     0.9300     0.0512
 74   0     0.8964     1.0000     0.1036     0.9797     0.9300     0.0497
 75   0     6.2423     6.0000    -0.2423     3.9778     3.6571     0.3207
 76   0     6.1781     6.0000    -0.1781     3.9284     3.6160     0.3124
 77   0     6.2011     6.0000    -0.2011     4.0087     3.6976     0.3111
 78   0     6.2030     6.0000    -0.2030     3.9997     3.6802     0.3195
 79   0     6.2695     6.0000    -0.2695     4.0196     3.6937     0.3259
 80   0     0.8915     1.0000     0.1085     0.9769     0.9229     0.0540
 81   0     0.8945     1.0000     0.1055     0.9771     0.9244     0.0527
 82   0     0.9074     1.0000     0.0926     0.9908     0.9364     0.0544
 83   0     0.8836     1.0000     0.1164     0.9761     0.9276     0.0485
 84   0     0.9011     1.0000     0.0989     0.9843     0.9339     0.0504
 85   0     0.8872     1.0000     0.1128     0.9760     0.9257     0.0503
 86   0     0.8908     1.0000     0.1092     0.9751     0.9219     0.0532
 87   0     0.8876     1.0000     0.1124     0.9773     0.9254     0.0519
 88   0     0.8818     1.0000     0.1182     0.9745     0.9228     0.0517
 89   0     0.8797     1.0000     0.1203     0.9736     0.9230     0.0506
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.933569
                0             6               4            6                0.909308
                0             6               5            1                0.937469
                0             6               6            1                0.935364
                1             6               2            6                0.902509
                1             6               7            1                0.929979
                1             6               8            1                0.937363
                2             6               3            6                0.929011
                2             6               9            1                0.930795
                2             6              10            1                0.932404
                3             6               4            6                0.920829
                3             6              11            1                0.932227
                3             6              12            1                0.932603
                4             6              13            1                0.927766
                4             6              14            1                0.947420
               15             6              16            6                0.908327
               15             6              19            6                0.905921
               15             6              20            1                0.941574
               15             6              21            1                0.938231
               16             6              17            6                0.910306
               16             6              22            1                0.946362
               16             6              23            1                0.936302
               17             6              18            6                0.918504
               17             6              24            1                0.918788
               17             6              25            1                0.946217
               18             6              19            6                0.926926
               18             6              26            1                0.925707
               18             6              27            1                0.945643
               19             6              28            1                0.938187
               19             6              29            1                0.941064
               30             6              31            6                0.917590
               30             6              34            6                0.925069
               30             6              35            1                0.938178
               30             6              36            1                0.948972
               31             6              32            6                0.902741
               31             6              37            1                0.944805
               31             6              38            1                0.932348
               32             6              33            6                0.908671
               32             6              39            1                0.948303
               32             6              40            1                0.940333
               33             6              34            6                0.928596
               33             6              41            1                0.938751
               33             6              42            1                0.945692
               34             6              43            1                0.945780
               34             6              44            1                0.937220
               45             6              46            6                0.927449
               45             6              49            6                0.909303
               45             6              50            1                0.940929
               45             6              51            1                0.944740
               46             6              47            6                0.934797
               46             6              52            1                0.933894
               46             6              53            1                0.921106
               47             6              48            6                0.901723
               47             6              54            1                0.949728
               47             6              55            1                0.926916
               48             6              49            6                0.913930
               48             6              56            1                0.940971
               48             6              57            1                0.937833
               49             6              58            1                0.944572
               49             6              59            1                0.938462
               60             6              61            6                0.926398
               60             6              64            6                0.914172
               60             6              65            1                0.935776
               60             6              66            1                0.933878
               61             6              62            6                0.915424
               61             6              67            1                0.940492
               61             6              68            1                0.930117
               62             6              63            6                0.917082
               62             6              69            1                0.934744
               62             6              70            1                0.937728
               63             6              64            6                0.917321
               63             6              71            1                0.936394
               63             6              72            1                0.936560
               64             6              73            1                0.936786
               64             6              74            1                0.941527
               75             6              76            6                0.891023
               75             6              79            6                0.923547
               75             6              80            1                0.925857
               75             6              81            1                0.938141
               76             6              77            6                0.898723
               76             6              82            1                0.938611
               76             6              83            1                0.950290
               77             6              78            6                0.944510
               77             6              84            1                0.939536
               77             6              85            1                0.937862
               78             6              79            6                0.913000
               78             6              86            1                0.935241
               78             6              87            1                0.943560
               79             6              88            1                0.933087
               79             6              89            1                0.941226
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1972267793
        Correlation Energy:       -5.0749607583
        Total MP2 Energy:      -1176.2721875376
# -----------------------------------------------------------
$ 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) :        0.3004500089
        Electronic Contribution:
                  0    
      0      -0.640747
      1      -0.372428
      2      -0.723942
        Nuclear Contribution:
                  0    
      0       0.546271
      1       0.441836
      2       0.739072
        Total Dipole moment:
                  0    
      0      -0.094476
      1       0.069408
      2       0.015130
# -----------------------------------------------------------
$ 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) :        0.3005913284
        Electronic Contribution:
                  0    
      0      -0.639584
      1      -0.371039
      2      -0.722774
        Nuclear Contribution:
                  0    
      0       0.546271
      1       0.441836
      2       0.739072
        Total Dipole moment:
                  0    
      0      -0.093313
      1       0.070798
      2       0.016298
# -----------------------------------------------------------
$ 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) :        0.2719241905
        Electronic Contribution:
                  0    
      0      -0.609761
      1      -0.362086
      2      -0.706609
        Nuclear Contribution:
                  0    
      0       0.546271
      1       0.441836
      2       0.739072
        Total Dipole moment:
                  0    
      0      -0.063490
      1       0.079751
      2       0.032463
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     20.380000000000   18.650000000000   12.410000000000
               1 C     20.560000000000   19.340000000000   13.740000000000
               2 C     21.930000000000   20.090000000000   13.750000000000
               3 C     22.680000000000   19.620000000000   12.470000000000
               4 C     21.620000000000   19.030000000000   11.550000000000
               5 H     19.440000000000   18.870000000000   11.900000000000
               6 H     20.410000000000   17.550000000000   12.510000000000
               7 H     20.400000000000   18.590000000000   14.550000000000
               8 H     19.730000000000   20.080000000000   13.850000000000
               9 H     22.620000000000   19.910000000000   14.600000000000
              10 H     21.810000000000   21.200000000000   13.860000000000
              11 H     23.420000000000   18.810000000000   12.720000000000
              12 H     23.240000000000   20.410000000000   11.940000000000
              13 H     21.980000000000   18.190000000000   10.890000000000
              14 H     21.340000000000   19.830000000000   10.950000000000
              15 C     19.520000000000   24.040000000000   16.400000000000
              16 C     18.240000000000   23.460000000000   15.810000000000
              17 C     18.300000000000   21.910000000000   15.980000000000
              18 C     19.430000000000   21.620000000000   16.970000000000
              19 C     20.270000000000   22.920000000000   17.170000000000
              20 H     19.360000000000   24.890000000000   17.030000000000
              21 H     20.160000000000   24.520000000000   15.690000000000
              22 H     18.260000000000   23.620000000000   14.750000000000
              23 H     17.390000000000   23.930000000000   16.260000000000
              24 H     18.230000000000   21.310000000000   15.030000000000
              25 H     17.390000000000   21.670000000000   16.590000000000
              26 H     20.030000000000   20.720000000000   16.690000000000
              27 H     18.880000000000   21.410000000000   17.900000000000
              28 H     21.310000000000   22.840000000000   16.860000000000
              29 H     20.330000000000   23.050000000000   18.250000000000
              30 C     17.030000000000   25.990000000000   19.000000000000
              31 C     17.180000000000   26.850000000000   17.780000000000
              32 C     16.800000000000   28.280000000000   18.120000000000
              33 C     16.270000000000   28.240000000000   19.520000000000
              34 C     16.690000000000   26.930000000000   20.180000000000
              35 H     17.990000000000   25.490000000000   19.240000000000
              36 H     16.340000000000   25.220000000000   18.950000000000
              37 H     16.560000000000   26.360000000000   17.080000000000
              38 H     18.200000000000   26.770000000000   17.340000000000
              39 H     16.100000000000   28.590000000000   17.410000000000
              40 H     17.580000000000   29.040000000000   18.080000000000
              41 H     15.160000000000   28.450000000000   19.460000000000
              42 H     16.640000000000   29.130000000000   20.020000000000
              43 H     15.860000000000   26.600000000000   20.750000000000
              44 H     17.500000000000   26.980000000000   20.890000000000
              45 C     18.430000000000   27.030000000000   13.590000000000
              46 C     17.690000000000   28.300000000000   14.130000000000
              47 C     18.770000000000   28.940000000000   15.100000000000
              48 C     20.080000000000   28.170000000000   15.010000000000
              49 C     19.890000000000   27.260000000000   13.850000000000
              50 H     18.110000000000   26.800000000000   12.630000000000
              51 H     18.220000000000   26.200000000000   14.260000000000
              52 H     16.870000000000   27.970000000000   14.770000000000
              53 H     17.460000000000   29.010000000000   13.250000000000
              54 H     18.420000000000   28.900000000000   16.110000000000
              55 H     18.940000000000   30.030000000000   14.860000000000
              56 H     20.440000000000   27.770000000000   15.920000000000
              57 H     20.910000000000   28.860000000000   14.700000000000
              58 H     20.380000000000   26.370000000000   14.230000000000
              59 H     20.510000000000   27.670000000000   13.110000000000
              60 C     23.890000000000   24.290000000000   15.200000000000
              61 C     23.880000000000   25.450000000000   16.240000000000
              62 C     24.620000000000   25.020000000000   17.420000000000
              63 C     25.310000000000   23.670000000000   17.070000000000
              64 C     25.090000000000   23.450000000000   15.580000000000
              65 H     24.040000000000   24.660000000000   14.230000000000
              66 H     23.010000000000   23.630000000000   15.340000000000
              67 H     22.890000000000   25.700000000000   16.570000000000
              68 H     24.450000000000   26.330000000000   15.840000000000
              69 H     23.890000000000   24.880000000000   18.250000000000
              70 H     25.410000000000   25.760000000000   17.710000000000
              71 H     24.840000000000   22.830000000000   17.550000000000
              72 H     26.370000000000   23.810000000000   17.300000000000
              73 H     24.850000000000   22.400000000000   15.340000000000
              74 H     25.980000000000   23.770000000000   15.080000000000
              75 C     19.280000000000   22.360000000000   12.110000000000
              76 C     18.310000000000   23.530000000000   12.110000000000
              77 C     18.220000000000   24.170000000000   10.710000000000
              78 C     19.260000000000   23.470000000000    9.900000000000
              79 C     19.920000000000   22.270000000000   10.730000000000
              80 H     18.930000000000   21.300000000000   12.260000000000
              81 H     20.040000000000   22.590000000000   12.880000000000
              82 H     18.660000000000   24.230000000000   12.870000000000
              83 H     17.350000000000   23.280000000000   12.460000000000
              84 H     18.400000000000   25.210000000000   10.860000000000
              85 H     17.220000000000   24.130000000000   10.270000000000
              86 H     20.040000000000   24.210000000000    9.580000000000
              87 H     18.750000000000   23.170000000000    8.970000000000
              88 H     21.030000000000   22.340000000000   10.770000000000
              89 H     19.690000000000   21.410000000000   10.110000000000
