-------------------------------------------------------------
----------------------- !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:    -1171.2144157448
# -----------------------------------------------------------
$ 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     6.1917     6.0000    -0.1917     3.9029     3.9029     0.0000
  1   0     6.1292     6.0000    -0.1292     3.8901     3.8901     0.0000
  2   0     6.1609     6.0000    -0.1609     3.8947     3.8947     0.0000
  3   0     6.1929     6.0000    -0.1929     3.8959     3.8959     0.0000
  4   0     6.1379     6.0000    -0.1379     3.9177     3.9177     0.0000
  5   0     0.9190     1.0000     0.0810     0.9734     0.9734     0.0000
  6   0     0.9147     1.0000     0.0853     0.9773     0.9773     0.0000
  7   0     0.9072     1.0000     0.0928     0.9813     0.9813     0.0000
  8   0     0.9355     1.0000     0.0645     0.9826     0.9826     0.0000
  9   0     0.9288     1.0000     0.0712     0.9832     0.9832     0.0000
 10   0     0.9229     1.0000     0.0771     0.9809     0.9809     0.0000
 11   0     0.9232     1.0000     0.0768     0.9805     0.9805     0.0000
 12   0     0.9079     1.0000     0.0921     0.9702     0.9702     0.0000
 13   0     0.9107     1.0000     0.0893     0.9749     0.9749     0.0000
 14   0     0.9143     1.0000     0.0857     0.9764     0.9764     0.0000
 15   0     6.1172     6.0000    -0.1172     3.8787     3.8787     0.0000
 16   0     6.1939     6.0000    -0.1939     3.9055     3.9055     0.0000
 17   0     6.1525     6.0000    -0.1525     3.8469     3.8469     0.0000
 18   0     6.1715     6.0000    -0.1715     3.8946     3.8946     0.0000
 19   0     6.1697     6.0000    -0.1697     3.8989     3.8989     0.0000
 20   0     0.9082     1.0000     0.0918     0.9762     0.9762     0.0000
 21   0     0.9280     1.0000     0.0720     0.9783     0.9783     0.0000
 22   0     0.9099     1.0000     0.0901     0.9724     0.9724    -0.0000
 23   0     0.9194     1.0000     0.0806     0.9732     0.9732     0.0000
 24   0     0.9233     1.0000     0.0767     0.9742     0.9742     0.0000
 25   0     0.9284     1.0000     0.0716     0.9800     0.9800     0.0000
 26   0     0.9104     1.0000     0.0896     0.9729     0.9729     0.0000
 27   0     0.9212     1.0000     0.0788     0.9782     0.9782     0.0000
 28   0     0.9161     1.0000     0.0839     0.9757     0.9757    -0.0000
 29   0     0.9293     1.0000     0.0707     0.9737     0.9737    -0.0000
 30   0     6.1981     6.0000    -0.1981     3.8532     3.8532    -0.0000
 31   0     6.1780     6.0000    -0.1780     3.8876     3.8876     0.0000
 32   0     6.1769     6.0000    -0.1769     3.8989     3.8989    -0.0000
 33   0     6.1458     6.0000    -0.1458     3.8877     3.8877     0.0000
 34   0     6.1805     6.0000    -0.1805     3.8841     3.8841    -0.0000
 35   0     0.9226     1.0000     0.0774     0.9713     0.9713    -0.0000
 36   0     0.8957     1.0000     0.1043     0.9658     0.9658     0.0000
 37   0     0.9168     1.0000     0.0832     0.9776     0.9776     0.0000
 38   0     0.9015     1.0000     0.0985     0.9705     0.9705     0.0000
 39   0     0.9186     1.0000     0.0814     0.9726     0.9726     0.0000
 40   0     0.9063     1.0000     0.0937     0.9789     0.9789     0.0000
 41   0     0.9216     1.0000     0.0784     0.9781     0.9781     0.0000
 42   0     0.9069     1.0000     0.0931     0.9742     0.9742     0.0000
 43   0     0.9108     1.0000     0.0892     0.9725     0.9725    -0.0000
 44   0     0.9186     1.0000     0.0814     0.9754     0.9754     0.0000
 45   0     6.1376     6.0000    -0.1376     3.9016     3.9016     0.0000
 46   0     6.1990     6.0000    -0.1990     3.8838     3.8838     0.0000
 47   0     6.1180     6.0000    -0.1180     3.9023     3.9023     0.0000
 48   0     6.1327     6.0000    -0.1327     3.8776     3.8776    -0.0000
 49   0     6.1750     6.0000    -0.1750     3.9371     3.9371     0.0000
 50   0     0.9155     1.0000     0.0845     0.9756     0.9756     0.0000
 51   0     0.9273     1.0000     0.0727     0.9784     0.9784     0.0000
 52   0     0.9347     1.0000     0.0653     0.9874     0.9874     0.0000
 53   0     0.9252     1.0000     0.0748     0.9699     0.9699     0.0000
 54   0     0.9104     1.0000     0.0896     0.9779     0.9779     0.0000
 55   0     0.9205     1.0000     0.0795     0.9770     0.9770    -0.0000
 56   0     0.9695     1.0000     0.0305     0.9818     0.9818     0.0000
 57   0     0.9092     1.0000     0.0908     0.9783     0.9783     0.0000
 58   0     0.9265     1.0000     0.0735     0.9763     0.9763     0.0000
 59   0     0.9090     1.0000     0.0910     0.9717     0.9717    -0.0000
 60   0     6.1931     6.0000    -0.1931     3.8937     3.8937     0.0000
 61   0     6.1866     6.0000    -0.1866     3.8979     3.8979     0.0000
 62   0     6.1130     6.0000    -0.1130     3.8939     3.8939    -0.0000
 63   0     6.2043     6.0000    -0.2043     3.9295     3.9295     0.0000
 64   0     6.1154     6.0000    -0.1154     3.8945     3.8945    -0.0000
 65   0     0.9295     1.0000     0.0705     0.9771     0.9771    -0.0000
 66   0     0.9031     1.0000     0.0969     0.9739     0.9739     0.0000
 67   0     0.9298     1.0000     0.0702     0.9749     0.9749     0.0000
 68   0     0.9158     1.0000     0.0842     0.9759     0.9759     0.0000
 69   0     0.9265     1.0000     0.0735     0.9791     0.9791    -0.0000
 70   0     0.9113     1.0000     0.0887     0.9745     0.9745    -0.0000
 71   0     0.9197     1.0000     0.0803     0.9726     0.9726     0.0000
 72   0     0.9115     1.0000     0.0885     0.9767     0.9767     0.0000
 73   0     0.9246     1.0000     0.0754     0.9756     0.9756    -0.0000
 74   0     0.9157     1.0000     0.0843     0.9762     0.9762     0.0000
 75   0     6.1581     6.0000    -0.1581     3.9101     3.9101    -0.0000
 76   0     6.1241     6.0000    -0.1241     3.9059     3.9059    -0.0000
 77   0     6.1618     6.0000    -0.1618     3.8867     3.8867     0.0000
 78   0     6.2247     6.0000    -0.2247     3.8474     3.8474     0.0000
 79   0     6.1869     6.0000    -0.1869     3.8709     3.8709     0.0000
 80   0     0.9273     1.0000     0.0727     0.9784     0.9784     0.0000
 81   0     0.9011     1.0000     0.0989     0.9749     0.9749    -0.0000
 82   0     0.9226     1.0000     0.0774     0.9796     0.9796    -0.0000
 83   0     0.9157     1.0000     0.0843     0.9793     0.9793    -0.0000
 84   0     0.8998     1.0000     0.1002     0.9728     0.9728    -0.0000
 85   0     0.9177     1.0000     0.0823     0.9746     0.9746    -0.0000
 86   0     0.9298     1.0000     0.0702     0.9817     0.9817     0.0000
 87   0     0.8914     1.0000     0.1086     0.9656     0.9656     0.0000
 88   0     0.9138     1.0000     0.0862     0.9720     0.9720     0.0000
 89   0     0.9211     1.0000     0.0789     0.9743     0.9743     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                0.966947
                0             6               4            6                0.976195
                0             6               5            1                0.990458
                0             6               6            1                0.995261
                1             6               2            6                0.969891
                1             6               7            1                0.991835
                1             6               8            1                0.994775
                2             6               3            6                0.968943
                2             6               9            1                0.998485
                2             6              10            1                0.993158
                3             6               4            6                0.969405
                3             6              11            1                0.999596
                3             6              12            1                0.989541
                4             6              13            1                0.991324
                4             6              14            1                0.992731
               15             6              16            6                0.974455
               15             6              19            6                0.963771
               15             6              20            1                0.986925
               15             6              21            1                0.995761
               16             6              17            6                0.951829
               16             6              22            1                0.994897
               16             6              23            1                0.993502
               17             6              18            6                0.959284
               17             6              24            1                0.997083
               17             6              25            1                0.995842
               18             6              19            6                0.975046
               18             6              26            1                0.987841
               18             6              27            1                0.995337
               19             6              28            1                0.995210
               19             6              29            1                0.995230
               30             6              31            6                0.960277
               30             6              34            6                0.954166
               30             6              35            1                0.998642
               30             6              36            1                0.982490
               31             6              32            6                0.976331
               31             6              37            1                0.991095
               31             6              38            1                0.984392
               32             6              33            6                0.970927
               32             6              39            1                0.990823
               32             6              40            1                0.990046
               33             6              34            6                0.979835
               33             6              41            1                0.990443
               33             6              42            1                0.983905
               34             6              43            1                0.988754
               34             6              44            1                0.992485
               45             6              46            6                0.967493
               45             6              49            6                0.982991
               45             6              50            1                0.992314
               45             6              51            1                0.997963
               46             6              47            6                0.973607
               46             6              52            1                0.989049
               46             6              53            1                1.000006
               47             6              48            6                0.969879
               47             6              54            1                0.986438
               47             6              55            1                0.999298
               48             6              49            6                0.980027
               48             6              56            1                0.985739
               48             6              57            1                0.993433
               49             6              58            1                1.002211
               49             6              59            1                0.991831
               60             6              61            6                0.967942
               60             6              64            6                0.974216
               60             6              65            1                0.994313
               60             6              66            1                0.987207
               61             6              62            6                0.975513
               61             6              67            1                0.994127
               61             6              68            1                0.988456
               62             6              63            6                0.974765
               62             6              69            1                1.001609
               62             6              70            1                0.986518
               63             6              64            6                0.978355
               63             6              71            1                0.997529
               63             6              72            1                0.991777
               64             6              73            1                0.990181
               64             6              74            1                0.991427
               75             6              76            6                0.978692
               75             6              79            6                0.978637
               75             6              80            1                0.996792
               75             6              81            1                0.980168
               76             6              77            6                0.979804
               76             6              82            1                0.985667
               76             6              83            1                0.992054
               77             6              78            6                0.942616
               77             6              84            1                0.988228
               77             6              85            1                1.001187
               78             6              79            6                0.953250
               78             6              86            1                0.995324
               78             6              87            1                0.987472
               79             6              88            1                0.986673
               79             6              89            1                0.996288
# -----------------------------------------------------------
$ 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     6.1996     6.0000    -0.1996     4.0161     3.6853     0.3308
  1   0     6.1364     6.0000    -0.1364     3.9966     3.6781     0.3185
  2   0     6.1688     6.0000    -0.1688     4.0053     3.6777     0.3276
  3   0     6.2009     6.0000    -0.2009     4.0098     3.6811     0.3287
  4   0     6.1451     6.0000    -0.1451     4.0234     3.7066     0.3168
  5   0     0.9153     1.0000     0.0847     0.9836     0.9278     0.0558
  6   0     0.9106     1.0000     0.0894     0.9866     0.9360     0.0506
  7   0     0.9032     1.0000     0.0968     0.9901     0.9413     0.0488
  8   0     0.9319     1.0000     0.0681     0.9930     0.9400     0.0530
  9   0     0.9248     1.0000     0.0752     0.9929     0.9388     0.0541
 10   0     0.9192     1.0000     0.0808     0.9908     0.9377     0.0531
 11   0     0.9192     1.0000     0.0808     0.9900     0.9368     0.0532
 12   0     0.9043     1.0000     0.0957     0.9795     0.9256     0.0539
 13   0     0.9067     1.0000     0.0933     0.9839     0.9325     0.0514
 14   0     0.9105     1.0000     0.0895     0.9857     0.9352     0.0505
 15   0     6.1244     6.0000    -0.1244     3.9838     3.6714     0.3124
 16   0     6.2020     6.0000    -0.2020     4.0166     3.6915     0.3251
 17   0     6.1598     6.0000    -0.1598     3.9567     3.6345     0.3222
 18   0     6.1788     6.0000    -0.1788     4.0038     3.6794     0.3244
 19   0     6.1773     6.0000    -0.1773     4.0066     3.6929     0.3137
 20   0     0.9043     1.0000     0.0957     0.9852     0.9356     0.0496
 21   0     0.9244     1.0000     0.0756     0.9884     0.9353     0.0531
 22   0     0.9061     1.0000     0.0939     0.9815     0.9289     0.0526
 23   0     0.9157     1.0000     0.0843     0.9829     0.9290     0.0539
 24   0     0.9193     1.0000     0.0807     0.9838     0.9296     0.0542
 25   0     0.9250     1.0000     0.0750     0.9906     0.9367     0.0539
 26   0     0.9065     1.0000     0.0935     0.9821     0.9291     0.0530
 27   0     0.9175     1.0000     0.0825     0.9881     0.9343     0.0538
 28   0     0.9122     1.0000     0.0878     0.9850     0.9351     0.0499
 29   0     0.9256     1.0000     0.0744     0.9837     0.9312     0.0525
 30   0     6.2052     6.0000    -0.2052     3.9666     3.6369     0.3297
 31   0     6.1855     6.0000    -0.1855     3.9994     3.6687     0.3307
 32   0     6.1843     6.0000    -0.1843     4.0086     3.6830     0.3256
 33   0     6.1531     6.0000    -0.1531     3.9958     3.6746     0.3212
 34   0     6.1882     6.0000    -0.1882     3.9961     3.6676     0.3285
 35   0     0.9188     1.0000     0.0812     0.9811     0.9258     0.0553
 36   0     0.8920     1.0000     0.1080     0.9748     0.9213     0.0535
 37   0     0.9131     1.0000     0.0869     0.9872     0.9340     0.0532
 38   0     0.8979     1.0000     0.1021     0.9797     0.9252     0.0545
 39   0     0.9148     1.0000     0.0852     0.9821     0.9274     0.0547
 40   0     0.9025     1.0000     0.0975     0.9878     0.9379     0.0499
 41   0     0.9178     1.0000     0.0822     0.9877     0.9347     0.0530
 42   0     0.9031     1.0000     0.0969     0.9834     0.9334     0.0500
 43   0     0.9071     1.0000     0.0929     0.9819     0.9287     0.0532
 44   0     0.9148     1.0000     0.0852     0.9850     0.9320     0.0530
 45   0     6.1457     6.0000    -0.1457     4.0077     3.6930     0.3147
 46   0     6.2064     6.0000    -0.2064     3.9955     3.6711     0.3244
 47   0     6.1268     6.0000    -0.1268     4.0106     3.6923     0.3183
 48   0     6.1400     6.0000    -0.1400     3.9836     3.6695     0.3141
 49   0     6.1833     6.0000    -0.1833     4.0467     3.7302     0.3165
 50   0     0.9114     1.0000     0.0886     0.9844     0.9333     0.0511
 51   0     0.9234     1.0000     0.0766     0.9879     0.9374     0.0505
 52   0     0.9311     1.0000     0.0689     0.9982     0.9448     0.0534
 53   0     0.9209     1.0000     0.0791     0.9794     0.9258     0.0536
 54   0     0.9064     1.0000     0.0936     0.9869     0.9356     0.0513
 55   0     0.9165     1.0000     0.0835     0.9864     0.9337     0.0527
 56   0     0.9660     1.0000     0.0340     0.9946     0.9352     0.0594
 57   0     0.9048     1.0000     0.0952     0.9868     0.9379     0.0489
 58   0     0.9226     1.0000     0.0774     0.9861     0.9345     0.0516
 59   0     0.9050     1.0000     0.0950     0.9809     0.9295     0.0514
 60   0     6.2006     6.0000    -0.2006     4.0052     3.6813     0.3239
 61   0     6.1938     6.0000    -0.1938     4.0067     3.6887     0.3180
 62   0     6.1211     6.0000    -0.1211     4.0000     3.6868     0.3132
 63   0     6.2117     6.0000    -0.2117     4.0384     3.7223     0.3161
 64   0     6.1233     6.0000    -0.1233     3.9997     3.6849     0.3148
 65   0     0.9257     1.0000     0.0743     0.9871     0.9333     0.0538
 66   0     0.8993     1.0000     0.1007     0.9829     0.9308     0.0521
 67   0     0.9259     1.0000     0.0741     0.9849     0.9333     0.0516
 68   0     0.9120     1.0000     0.0880     0.9854     0.9338     0.0516
 69   0     0.9225     1.0000     0.0775     0.9886     0.9378     0.0508
 70   0     0.9076     1.0000     0.0924     0.9838     0.9332     0.0506
 71   0     0.9159     1.0000     0.0841     0.9821     0.9307     0.0514
 72   0     0.9079     1.0000     0.0921     0.9859     0.9345     0.0514
 73   0     0.9208     1.0000     0.0792     0.9852     0.9300     0.0552
 74   0     0.9118     1.0000     0.0882     0.9854     0.9358     0.0496
 75   0     6.1659     6.0000    -0.1659     4.0197     3.6927     0.3270
 76   0     6.1316     6.0000    -0.1316     4.0112     3.6964     0.3148
 77   0     6.1699     6.0000    -0.1699     3.9980     3.6701     0.3279
 78   0     6.2321     6.0000    -0.2321     3.9666     3.6234     0.3432
 79   0     6.1944     6.0000    -0.1944     3.9846     3.6554     0.3292
 80   0     0.9234     1.0000     0.0766     0.9882     0.9345     0.0537
 81   0     0.8973     1.0000     0.1027     0.9838     0.9315     0.0523
 82   0     0.9189     1.0000     0.0811     0.9894     0.9394     0.0500
 83   0     0.9118     1.0000     0.0882     0.9883     0.9380     0.0503
 84   0     0.8959     1.0000     0.1041     0.9816     0.9307     0.0509
 85   0     0.9140     1.0000     0.0860     0.9843     0.9304     0.0539
 86   0     0.9261     1.0000     0.0739     0.9921     0.9364     0.0557
 87   0     0.8876     1.0000     0.1124     0.9743     0.9210     0.0533
 88   0     0.9100     1.0000     0.0900     0.9816     0.9297     0.0519
 89   0     0.9170     1.0000     0.0830     0.9838     0.9300     0.0538
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.901954
                0             6               4            6                0.911491
                0             6               5            1                0.946134
                0             6               6            1                0.955012
                1             6               2            6                0.906275
                1             6               7            1                0.953370
                1             6               8            1                0.953455
                2             6               3            6                0.904207
                2             6               9            1                0.955233
                2             6              10            1                0.950964
                3             6               4            6                0.908423
                3             6              11            1                0.956926
                3             6              12            1                0.946308
                4             6              13            1                0.950262
                4             6              14            1                0.952612
               15             6              16            6                0.910240
               15             6              19            6                0.904961
               15             6              20            1                0.947858
               15             6              21            1                0.953913
               16             6              17            6                0.891222
               16             6              22            1                0.952708
               16             6              23            1                0.950502
               17             6              18            6                0.896033
               17             6              24            1                0.953499
               17             6              25            1                0.953511
               18             6              19            6                0.911802
               18             6              26            1                0.945482
               18             6              27            1                0.952606
               19             6              28            1                0.955969
               19             6              29            1                0.953862
               30             6              31            6                0.897474
               30             6              34            6                0.891184
               30             6              35            1                0.954215
               30             6              36            1                0.939570
               31             6              32            6                0.910321
               31             6              37            1                0.948805
               31             6              38            1                0.940606
               32             6              33            6                0.908075
               32             6              39            1                0.946899
               32             6              40            1                0.950684
               33             6              34            6                0.914373
               33             6              41            1                0.948333
               33             6              42            1                0.944637
               34             6              43            1                0.946368
               34             6              44            1                0.950335
               45             6              46            6                0.905111
               45             6              49            6                0.920564
               45             6              50            1                0.951456
               45             6              51            1                0.957969
               46             6              47            6                0.911032
               46             6              52            1                0.947615
               46             6              53            1                0.956645
               47             6              48            6                0.908727
               47             6              54            1                0.945766
               47             6              55            1                0.957339
               48             6              49            6                0.920623
               48             6              56            1                0.940755
               48             6              57            1                0.954402
               49             6              58            1                0.961416
               49             6              59            1                0.950895
               60             6              61            6                0.905485
               60             6              64            6                0.911600
               60             6              65            1                0.951844
               60             6              66            1                0.945710
               61             6              62            6                0.913311
               61             6              67            1                0.953607
               61             6              68            1                0.947876
               62             6              63            6                0.913371
               62             6              69            1                0.961191
               62             6              70            1                0.946611
               63             6              64            6                0.917895
               63             6              71            1                0.956611
               63             6              72            1                0.951045
               64             6              73            1                0.945993
               64             6              74            1                0.952316
               75             6              76            6                0.913280
               75             6              79            6                0.914759
               75             6              80            1                0.954009
               75             6              81            1                0.938514
               76             6              77            6                0.918063
               76             6              82            1                0.946929
               76             6              83            1                0.952339
               77             6              78            6                0.874943
               77             6              84            1                0.947741
               77             6              85            1                0.957827
               78             6              79            6                0.888894
               78             6              86            1                0.951025
               78             6              87            1                0.943686
               79             6              88            1                0.945671
               79             6              89            1                0.952877
# -----------------------------------------------------------
$ 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     6.2413     6.0000    -0.2413     3.9959     3.6695     0.3264
  1   0     6.1918     6.0000    -0.1918     3.9801     3.6655     0.3146
  2   0     6.2257     6.0000    -0.2257     3.9836     3.6602     0.3234
  3   0     6.2516     6.0000    -0.2516     3.9945     3.6701     0.3244
  4   0     6.1957     6.0000    -0.1957     4.0171     3.7045     0.3126
  5   0     0.8906     1.0000     0.1094     0.9781     0.9236     0.0545
  6   0     0.8871     1.0000     0.1129     0.9771     0.9275     0.0496
  7   0     0.8814     1.0000     0.1186     0.9816     0.9338     0.0478
  8   0     0.9045     1.0000     0.0955     0.9906     0.9388     0.0518
  9   0     0.8932     1.0000     0.1068     0.9814     0.9287     0.0527
 10   0     0.8903     1.0000     0.1097     0.9820     0.9302     0.0518
 11   0     0.8899     1.0000     0.1101     0.9798     0.9279     0.0519
 12   0     0.8800     1.0000     0.1200     0.9737     0.9210     0.0527
 13   0     0.8864     1.0000     0.1136     0.9753     0.9248     0.0505
 14   0     0.8863     1.0000     0.1137     0.9808     0.9315     0.0493
 15   0     6.1789     6.0000    -0.1789     3.9724     3.6638     0.3086
 16   0     6.2446     6.0000    -0.2446     4.0013     3.6805     0.3208
 17   0     6.2192     6.0000    -0.2192     3.9537     3.6358     0.3179
 18   0     6.2236     6.0000    -0.2236     3.9822     3.6619     0.3203
 19   0     6.2295     6.0000    -0.2295     3.9914     3.6817     0.3097
 20   0     0.8823     1.0000     0.1177     0.9790     0.9304     0.0486
 21   0     0.8989     1.0000     0.1011     0.9786     0.9265     0.0521
 22   0     0.8830     1.0000     0.1170     0.9733     0.9216     0.0517
 23   0     0.8903     1.0000     0.1097     0.9752     0.9224     0.0528
 24   0     0.8932     1.0000     0.1068     0.9741     0.9210     0.0531
 25   0     0.8941     1.0000     0.1059     0.9814     0.9289     0.0525
 26   0     0.8847     1.0000     0.1153     0.9751     0.9231     0.0520
 27   0     0.8910     1.0000     0.1090     0.9815     0.9290     0.0525
 28   0     0.8864     1.0000     0.1136     0.9759     0.9271     0.0488
 29   0     0.8976     1.0000     0.1024     0.9748     0.9234     0.0514
 30   0     6.2463     6.0000    -0.2463     3.9676     3.6426     0.3250
 31   0     6.2310     6.0000    -0.2310     3.9951     3.6687     0.3264
 32   0     6.2281     6.0000    -0.2281     3.9966     3.6753     0.3213
 33   0     6.2065     6.0000    -0.2065     3.9851     3.6679     0.3172
 34   0     6.2369     6.0000    -0.2369     3.9806     3.6562     0.3244
 35   0     0.8927     1.0000     0.1073     0.9707     0.9165     0.0542
 36   0     0.8723     1.0000     0.1277     0.9681     0.9156     0.0525
 37   0     0.8890     1.0000     0.1110     0.9768     0.9247     0.0521
 38   0     0.8777     1.0000     0.1223     0.9724     0.9188     0.0536
 39   0     0.8918     1.0000     0.1082     0.9741     0.9203     0.0538
 40   0     0.8805     1.0000     0.1195     0.9797     0.9308     0.0489
 41   0     0.8915     1.0000     0.1085     0.9776     0.9257     0.0519
 42   0     0.8816     1.0000     0.1184     0.9773     0.9282     0.0491
 43   0     0.8836     1.0000     0.1164     0.9736     0.9214     0.0522
 44   0     0.8888     1.0000     0.1112     0.9749     0.9230     0.0519
 45   0     6.1942     6.0000    -0.1942     3.9783     3.6678     0.3105
 46   0     6.2592     6.0000    -0.2592     3.9811     3.6612     0.3199
 47   0     6.1793     6.0000    -0.1793     3.9980     3.6837     0.3143
 48   0     6.1905     6.0000    -0.1905     3.9769     3.6672     0.3097
 49   0     6.2335     6.0000    -0.2335     4.0211     3.7087     0.3124
 50   0     0.8893     1.0000     0.1107     0.9770     0.9269     0.0501
 51   0     0.8965     1.0000     0.1035     0.9884     0.9392     0.0492
 52   0     0.9020     1.0000     0.0980     0.9935     0.9416     0.0519
 53   0     0.8923     1.0000     0.1077     0.9686     0.9162     0.0524
 54   0     0.8837     1.0000     0.1163     0.9791     0.9289     0.0502
 55   0     0.8927     1.0000     0.1073     0.9779     0.9262     0.0517
 56   0     0.9441     1.0000     0.0559     1.0002     0.9422     0.0580
 57   0     0.8799     1.0000     0.1201     0.9759     0.9282     0.0477
 58   0     0.8938     1.0000     0.1062     0.9783     0.9281     0.0502
 59   0     0.8817     1.0000     0.1183     0.9735     0.9231     0.0504
 60   0     6.2428     6.0000    -0.2428     3.9915     3.6718     0.3197
 61   0     6.2417     6.0000    -0.2417     3.9915     3.6776     0.3139
 62   0     6.1826     6.0000    -0.1826     3.9864     3.6767     0.3097
 63   0     6.2574     6.0000    -0.2574     4.0225     3.7104     0.3121
 64   0     6.1773     6.0000    -0.1773     3.9962     3.6854     0.3108
 65   0     0.8991     1.0000     0.1009     0.9774     0.9247     0.0527
 66   0     0.8768     1.0000     0.1232     0.9751     0.9240     0.0511
 67   0     0.8993     1.0000     0.1007     0.9760     0.9254     0.0506
 68   0     0.8871     1.0000     0.1129     0.9777     0.9272     0.0505
 69   0     0.8943     1.0000     0.1057     0.9784     0.9287     0.0497
 70   0     0.8841     1.0000     0.1159     0.9768     0.9272     0.0496
 71   0     0.8899     1.0000     0.1101     0.9721     0.9217     0.0504
 72   0     0.8826     1.0000     0.1174     0.9767     0.9263     0.0504
 73   0     0.8975     1.0000     0.1025     0.9770     0.9227     0.0543
 74   0     0.8881     1.0000     0.1119     0.9775     0.9289     0.0486
 75   0     6.2091     6.0000    -0.2091     3.9994     3.6767     0.3227
 76   0     6.1888     6.0000    -0.1888     4.0002     3.6892     0.3110
 77   0     6.2225     6.0000    -0.2225     3.9880     3.6641     0.3239
 78   0     6.2747     6.0000    -0.2747     3.9647     3.6263     0.3384
 79   0     6.2423     6.0000    -0.2423     3.9735     3.6488     0.3247
 80   0     0.8994     1.0000     0.1006     0.9797     0.9270     0.0527
 81   0     0.8778     1.0000     0.1222     0.9778     0.9264     0.0514
 82   0     0.8956     1.0000     0.1044     0.9816     0.9326     0.0490
 83   0     0.8866     1.0000     0.1134     0.9794     0.9302     0.0492
 84   0     0.8745     1.0000     0.1255     0.9741     0.9243     0.0498
 85   0     0.8892     1.0000     0.1108     0.9743     0.9214     0.0529
 86   0     0.8977     1.0000     0.1023     0.9818     0.9274     0.0544
 87   0     0.8642     1.0000     0.1358     0.9664     0.9142     0.0522
 88   0     0.8860     1.0000     0.1140     0.9744     0.9236     0.0508
 89   0     0.8871     1.0000     0.1129     0.9722     0.9198     0.0524
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.909248
                0             6               4            6                0.922523
                0             6               5            1                0.931141
                0             6               6            1                0.941906
                1             6               2            6                0.913572
                1             6               7            1                0.939850
                1             6               8            1                0.940592
                2             6               3            6                0.911776
                2             6               9            1                0.939836
                2             6              10            1                0.937035
                3             6               4            6                0.921205
                3             6              11            1                0.939734
                3             6              12            1                0.932447
                4             6              13            1                0.934034
                4             6              14            1                0.940822
               15             6              16            6                0.919403
               15             6              19            6                0.917233
               15             6              20            1                0.937116
               15             6              21            1                0.938928
               16             6              17            6                0.903947
               16             6              22            1                0.937589
               16             6              23            1                0.937377
               17             6              18            6                0.906424
               17             6              24            1                0.939609
               17             6              25            1                0.939623
               18             6              19            6                0.916594
               18             6              26            1                0.932725
               18             6              27            1                0.940315
               19             6              28            1                0.942497
               19             6              29            1                0.941555
               30             6              31            6                0.916253
               30             6              34            6                0.901687
               30             6              35            1                0.939571
               30             6              36            1                0.925506
               31             6              32            6                0.920728
               31             6              37            1                0.935601
               31             6              38            1                0.927195
               32             6              33            6                0.917101
               32             6              39            1                0.933091
               32             6              40            1                0.939259
               33             6              34            6                0.921771
               33             6              41            1                0.934916
               33             6              42            1                0.934738
               34             6              43            1                0.934017
               34             6              44            1                0.936032
               45             6              46            6                0.904883
               45             6              49            6                0.926183
               45             6              50            1                0.934893
               45             6              51            1                0.948573
               46             6              47            6                0.922489
               46             6              52            1                0.933997
               46             6              53            1                0.942394
               47             6              48            6                0.922025
               47             6              54            1                0.931026
               47             6              55            1                0.941130
               48             6              49            6                0.932013
               48             6              56            1                0.924363
               48             6              57            1                0.938995
               49             6              58            1                0.947606
               49             6              59            1                0.934548
               60             6              61            6                0.912066
               60             6              64            6                0.927340
               60             6              65            1                0.936922
               60             6              66            1                0.932497
               61             6              62            6                0.920682
               61             6              67            1                0.943331
               61             6              68            1                0.935259
               62             6              63            6                0.921401
               62             6              69            1                0.948117
               62             6              70            1                0.935125
               63             6              64            6                0.929902
               63             6              71            1                0.942845
               63             6              72            1                0.936570
               64             6              73            1                0.929779
               64             6              74            1                0.941340
               75             6              76            6                0.918035
               75             6              79            6                0.923584
               75             6              80            1                0.940374
               75             6              81            1                0.926881
               76             6              77            6                0.930920
               76             6              82            1                0.934515
               76             6              83            1                0.941030
               77             6              78            6                0.884168
               77             6              84            1                0.933650
               77             6              85            1                0.943484
               78             6              79            6                0.902100
               78             6              86            1                0.934473
               78             6              87            1                0.929585
               79             6              88            1                0.933942
               79             6              89            1                0.937041
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2144157448
        Correlation Energy:       -5.0616255101
        Total MP2 Energy:      -1176.2760412550
# -----------------------------------------------------------
$ 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) :        0.2493842642
        Electronic Contribution:
                  0    
      0      -0.103852
      1       0.462506
      2      -0.131905
        Nuclear Contribution:
                  0    
      0       0.040167
      1      -0.393636
      2       0.160668
        Total Dipole moment:
                  0    
      0      -0.063685
      1       0.068870
      2       0.028763
# -----------------------------------------------------------
$ 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) :        0.2498830358
        Electronic Contribution:
                  0    
      0      -0.104648
      1       0.462151
      2      -0.132161
        Nuclear Contribution:
                  0    
      0       0.040167
      1      -0.393636
      2       0.160668
        Total Dipole moment:
                  0    
      0      -0.064481
      1       0.068515
      2       0.028507
# -----------------------------------------------------------
$ 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) :        0.1964772104
        Electronic Contribution:
                  0    
      0      -0.092100
      1       0.446352
      2      -0.138329
        Nuclear Contribution:
                  0    
      0       0.040167
      1      -0.393636
      2       0.160668
        Total Dipole moment:
                  0    
      0      -0.051933
      1       0.052716
      2       0.022339
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     23.570000000000   19.550000000000   15.600000000000
               1 C     22.980000000000   19.830000000000   14.170000000000
               2 C     23.850000000000   21.020000000000   13.710000000000
               3 C     25.190000000000   21.050000000000   14.530000000000
               4 C     24.980000000000   20.220000000000   15.790000000000
               5 H     23.640000000000   18.460000000000   15.890000000000
               6 H     22.810000000000   19.940000000000   16.230000000000
               7 H     21.950000000000   20.090000000000   14.150000000000
               8 H     23.180000000000   19.000000000000   13.510000000000
               9 H     23.240000000000   21.950000000000   13.780000000000
              10 H     24.060000000000   20.980000000000   12.650000000000
              11 H     25.440000000000   22.100000000000   14.700000000000
              12 H     26.090000000000   20.830000000000   13.920000000000
              13 H     24.980000000000   20.900000000000   16.650000000000
              14 H     25.710000000000   19.460000000000   15.950000000000
              15 C     23.660000000000   16.820000000000   20.320000000000
              16 C     25.110000000000   17.070000000000   19.750000000000
              17 C     25.200000000000   16.250000000000   18.480000000000
              18 C     23.840000000000   15.520000000000   18.270000000000
              19 C     22.860000000000   16.020000000000   19.360000000000
              20 H     23.090000000000   17.670000000000   20.640000000000
              21 H     23.830000000000   16.160000000000   21.170000000000
              22 H     25.980000000000   16.810000000000   20.390000000000
              23 H     25.300000000000   18.150000000000   19.540000000000
              24 H     26.020000000000   15.500000000000   18.580000000000
              25 H     25.550000000000   16.850000000000   17.640000000000
              26 H     23.860000000000   14.400000000000   18.330000000000
              27 H     23.520000000000   15.820000000000   17.260000000000
              28 H     22.280000000000   15.220000000000   19.750000000000
              29 H     22.080000000000   16.620000000000   18.900000000000
              30 C     27.120000000000   24.830000000000   15.870000000000
              31 C     27.910000000000   25.780000000000   14.920000000000
              32 C     28.610000000000   26.920000000000   15.800000000000
              33 C     28.560000000000   26.400000000000   17.250000000000
              34 C     27.340000000000   25.380000000000   17.300000000000
              35 H     27.590000000000   23.810000000000   15.800000000000
              36 H     26.040000000000   24.550000000000   15.700000000000
              37 H     27.190000000000   26.240000000000   14.230000000000
              38 H     28.700000000000   25.340000000000   14.220000000000
              39 H     28.000000000000   27.880000000000   15.740000000000
              40 H     29.630000000000   27.180000000000   15.620000000000
              41 H     28.230000000000   27.180000000000   17.950000000000
              42 H     29.520000000000   26.020000000000   17.560000000000
              43 H     26.370000000000   25.750000000000   17.710000000000
              44 H     27.530000000000   24.500000000000   17.920000000000
              45 C     25.130000000000   16.700000000000   12.600000000000
              46 C     26.520000000000   17.270000000000   12.650000000000
              47 C     27.230000000000   16.760000000000   13.930000000000
              48 C     26.120000000000   16.390000000000   14.880000000000
              49 C     25.000000000000   16.050000000000   13.970000000000
              50 H     25.040000000000   15.950000000000   11.800000000000
              51 H     24.500000000000   17.530000000000   12.470000000000
              52 H     26.460000000000   18.330000000000   12.460000000000
              53 H     27.050000000000   16.850000000000   11.780000000000
              54 H     27.940000000000   17.440000000000   14.410000000000
              55 H     27.780000000000   15.830000000000   13.690000000000
              56 H     25.840000000000   17.250000000000   15.570000000000
              57 H     26.410000000000   15.580000000000   15.500000000000
              58 H     24.100000000000   16.380000000000   14.400000000000
              59 H     24.780000000000   15.000000000000   13.790000000000
              60 C     22.150000000000   24.870000000000   12.140000000000
              61 C     21.190000000000   24.660000000000   13.320000000000
              62 C     19.920000000000   25.430000000000   12.940000000000
              63 C     20.290000000000   26.500000000000   11.900000000000
              64 C     21.670000000000   26.150000000000   11.410000000000
              65 H     21.990000000000   23.950000000000   11.560000000000
              66 H     23.240000000000   24.860000000000   12.360000000000
              67 H     21.600000000000   25.100000000000   14.210000000000
              68 H     20.990000000000   23.620000000000   13.580000000000
              69 H     19.630000000000   25.890000000000   13.850000000000
              70 H     19.100000000000   24.770000000000   12.690000000000
              71 H     20.280000000000   27.490000000000   12.320000000000
              72 H     19.580000000000   26.700000000000   11.100000000000
              73 H     22.420000000000   26.980000000000   11.670000000000
              74 H     21.640000000000   26.020000000000   10.360000000000
              75 C     25.520000000000   19.880000000000    8.350000000000
              76 C     26.420000000000   21.160000000000    8.160000000000
              77 C     27.320000000000   21.200000000000    9.390000000000
              78 C     26.720000000000   20.250000000000   10.580000000000
              79 C     25.490000000000   19.570000000000    9.880000000000
              80 H     26.140000000000   19.100000000000    7.870000000000
              81 H     24.490000000000   19.980000000000    7.900000000000
              82 H     25.810000000000   22.030000000000    8.140000000000
              83 H     27.060000000000   21.060000000000    7.300000000000
              84 H     27.600000000000   22.200000000000    9.720000000000
              85 H     28.290000000000   20.710000000000    9.180000000000
              86 H     26.390000000000   20.800000000000   11.490000000000
              87 H     27.350000000000   19.480000000000   11.100000000000
              88 H     24.500000000000   19.790000000000   10.250000000000
              89 H     25.580000000000   18.480000000000   10.040000000000
