-------------------------------------------------------------
----------------------- !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:    -1171.1750315643
# -----------------------------------------------------------
$ 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     6.1771     6.0000    -0.1771     3.9277     3.9277     0.0000
  1   0     6.1300     6.0000    -0.1300     3.9103     3.9103     0.0000
  2   0     6.2024     6.0000    -0.2024     3.8877     3.8877     0.0000
  3   0     6.1565     6.0000    -0.1565     3.8902     3.8902    -0.0000
  4   0     6.1397     6.0000    -0.1397     3.8969     3.8969     0.0000
  5   0     0.9205     1.0000     0.0795     0.9778     0.9778     0.0000
  6   0     0.9113     1.0000     0.0887     0.9746     0.9746     0.0000
  7   0     0.9265     1.0000     0.0735     0.9760     0.9760    -0.0000
  8   0     0.9101     1.0000     0.0899     0.9769     0.9769    -0.0000
  9   0     0.9283     1.0000     0.0717     0.9729     0.9729    -0.0000
 10   0     0.9196     1.0000     0.0804     0.9763     0.9763    -0.0000
 11   0     0.9278     1.0000     0.0722     0.9826     0.9826     0.0000
 12   0     0.9171     1.0000     0.0829     0.9771     0.9771    -0.0000
 13   0     0.9164     1.0000     0.0836     0.9796     0.9796    -0.0000
 14   0     0.9153     1.0000     0.0847     0.9760     0.9760    -0.0000
 15   0     6.1406     6.0000    -0.1406     3.8947     3.8947    -0.0000
 16   0     6.1421     6.0000    -0.1421     3.8811     3.8811     0.0000
 17   0     6.2066     6.0000    -0.2066     3.8726     3.8726     0.0000
 18   0     6.1469     6.0000    -0.1469     3.9009     3.9009    -0.0000
 19   0     6.1719     6.0000    -0.1719     3.9214     3.9214    -0.0000
 20   0     0.9184     1.0000     0.0816     0.9748     0.9748    -0.0000
 21   0     0.9238     1.0000     0.0762     0.9806     0.9806    -0.0000
 22   0     0.9089     1.0000     0.0911     0.9723     0.9723    -0.0000
 23   0     0.9333     1.0000     0.0667     0.9724     0.9724     0.0000
 24   0     0.9312     1.0000     0.0688     0.9714     0.9714     0.0000
 25   0     0.9156     1.0000     0.0844     0.9741     0.9741     0.0000
 26   0     0.9154     1.0000     0.0846     0.9768     0.9768    -0.0000
 27   0     0.9146     1.0000     0.0854     0.9752     0.9752    -0.0000
 28   0     0.9239     1.0000     0.0761     0.9787     0.9787    -0.0000
 29   0     0.9076     1.0000     0.0924     0.9767     0.9767    -0.0000
 30   0     6.2441     6.0000    -0.2441     3.9222     3.9222    -0.0000
 31   0     6.1062     6.0000    -0.1062     3.8829     3.8829    -0.0000
 32   0     6.1801     6.0000    -0.1801     3.9140     3.9140    -0.0000
 33   0     6.0700     6.0000    -0.0700     3.8818     3.8818    -0.0000
 34   0     6.1287     6.0000    -0.1287     3.8556     3.8556    -0.0000
 35   0     0.9225     1.0000     0.0775     0.9666     0.9666    -0.0000
 36   0     0.9011     1.0000     0.0989     0.9758     0.9758    -0.0000
 37   0     0.9142     1.0000     0.0858     0.9739     0.9739     0.0000
 38   0     0.9075     1.0000     0.0925     0.9781     0.9781     0.0000
 39   0     0.9295     1.0000     0.0705     0.9888     0.9888    -0.0000
 40   0     0.9204     1.0000     0.0796     0.9675     0.9675    -0.0000
 41   0     0.9705     1.0000     0.0295     1.0139     1.0139    -0.0000
 42   0     0.9388     1.0000     0.0612     0.9795     0.9795    -0.0000
 43   0     0.9097     1.0000     0.0903     0.9737     0.9737    -0.0000
 44   0     0.9501     1.0000     0.0499     0.9881     0.9881    -0.0000
 45   0     6.1501     6.0000    -0.1501     3.8577     3.8577    -0.0000
 46   0     6.1504     6.0000    -0.1504     3.9035     3.9035     0.0000
 47   0     6.2094     6.0000    -0.2094     3.8808     3.8808     0.0000
 48   0     6.1824     6.0000    -0.1824     3.8244     3.8244    -0.0000
 49   0     6.1749     6.0000    -0.1749     3.8726     3.8726    -0.0000
 50   0     0.9241     1.0000     0.0759     0.9744     0.9744     0.0000
 51   0     0.9075     1.0000     0.0925     0.9722     0.9722     0.0000
 52   0     0.9169     1.0000     0.0831     0.9832     0.9832    -0.0000
 53   0     0.9103     1.0000     0.0897     0.9724     0.9724     0.0000
 54   0     0.9052     1.0000     0.0948     0.9705     0.9705     0.0000
 55   0     0.9020     1.0000     0.0980     0.9766     0.9766     0.0000
 56   0     0.9239     1.0000     0.0761     0.9660     0.9660     0.0000
 57   0     0.9051     1.0000     0.0949     0.9759     0.9759     0.0000
 58   0     0.9235     1.0000     0.0765     0.9777     0.9777     0.0000
 59   0     0.9061     1.0000     0.0939     0.9729     0.9729    -0.0000
 60   0     6.1465     6.0000    -0.1465     3.8916     3.8916     0.0000
 61   0     6.0585     6.0000    -0.0585     3.8337     3.8337    -0.0000
 62   0     6.1953     6.0000    -0.1953     3.8838     3.8838     0.0000
 63   0     6.1384     6.0000    -0.1384     3.8901     3.8901    -0.0000
 64   0     6.1957     6.0000    -0.1957     3.9057     3.9057    -0.0000
 65   0     0.9221     1.0000     0.0779     0.9735     0.9735     0.0000
 66   0     0.9187     1.0000     0.0813     0.9809     0.9809     0.0000
 67   0     0.9325     1.0000     0.0675     0.9787     0.9787    -0.0000
 68   0     1.0030     1.0000    -0.0030     1.0342     1.0342    -0.0000
 69   0     0.9263     1.0000     0.0737     0.9857     0.9857     0.0000
 70   0     0.9173     1.0000     0.0827     0.9722     0.9722    -0.0000
 71   0     0.9103     1.0000     0.0897     0.9728     0.9728     0.0000
 72   0     0.9192     1.0000     0.0808     0.9865     0.9865     0.0000
 73   0     0.9207     1.0000     0.0793     0.9771     0.9771     0.0000
 74   0     0.9122     1.0000     0.0878     0.9761     0.9761    -0.0000
 75   0     6.1556     6.0000    -0.1556     3.8760     3.8760     0.0000
 76   0     6.1746     6.0000    -0.1746     3.9006     3.9006    -0.0000
 77   0     6.1527     6.0000    -0.1527     3.9100     3.9100     0.0000
 78   0     6.1809     6.0000    -0.1809     3.8758     3.8758     0.0000
 79   0     6.1644     6.0000    -0.1644     3.8710     3.8710    -0.0000
 80   0     0.9147     1.0000     0.0853     0.9793     0.9793    -0.0000
 81   0     0.9300     1.0000     0.0700     0.9789     0.9789     0.0000
 82   0     0.9442     1.0000     0.0558     0.9713     0.9713     0.0000
 83   0     0.9096     1.0000     0.0904     0.9700     0.9700     0.0000
 84   0     0.9127     1.0000     0.0873     0.9759     0.9759    -0.0000
 85   0     0.9087     1.0000     0.0913     0.9746     0.9746     0.0000
 86   0     0.9047     1.0000     0.0953     0.9723     0.9723     0.0000
 87   0     0.9215     1.0000     0.0785     0.9721     0.9721     0.0000
 88   0     0.9155     1.0000     0.0845     0.9759     0.9759    -0.0000
 89   0     0.9087     1.0000     0.0913     0.9691     0.9691    -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                0.985899
                0             6               4            6                0.986393
                0             6               5            1                0.991518
                0             6               6            1                0.991183
                1             6               2            6                0.972088
                1             6               7            1                0.992206
                1             6               8            1                0.994781
                2             6               3            6                0.976155
                2             6               9            1                0.991335
                2             6              10            1                0.987374
                3             6               4            6                0.960570
                3             6              11            1                0.994989
                3             6              12            1                0.990187
                4             6              13            1                0.999909
                4             6              14            1                0.986402
               15             6              16            6                0.980138
               15             6              19            6                0.970244
               15             6              20            1                0.991976
               15             6              21            1                0.989295
               16             6              17            6                0.951729
               16             6              22            1                0.989570
               16             6              23            1                0.999774
               17             6              18            6                0.964563
               17             6              24            1                0.994058
               17             6              25            1                0.998510
               18             6              19            6                0.987739
               18             6              26            1                0.991442
               18             6              27            1                0.992520
               19             6              28            1                0.990813
               19             6              29            1                0.985102
               30             6              31            6                0.984995
               30             6              34            6                0.950097
               30             6              35            1                1.001092
               30             6              36            1                0.985679
               31             6              32            6                0.964910
               31             6              37            1                0.987750
               31             6              38            1                0.996697
               32             6              33            6                0.966205
               32             6              39            1                0.992844
               32             6              40            1                0.999234
               33             6              34            6                0.965363
               33             6              41            1                0.995437
               33             6              42            1                1.004401
               34             6              43            1                0.981229
               34             6              44            1                1.005375
               45             6              46            6                0.967219
               45             6              49            6                0.966196
               45             6              50            1                0.999957
               45             6              51            1                0.984304
               46             6              47            6                0.978024
               46             6              52            1                0.990258
               46             6              53            1                0.992670
               47             6              48            6                0.952322
               47             6              54            1                0.988245
               47             6              55            1                0.987829
               48             6              49            6                0.939204
               48             6              56            1                1.002210
               48             6              57            1                0.993958
               49             6              58            1                0.996695
               49             6              59            1                0.996874
               60             6              61            6                0.960345
               60             6              64            6                0.967296
               60             6              65            1                0.992074
               60             6              66            1                0.995621
               61             6              62            6                0.950961
               61             6              67            1                0.997615
               61             6              68            1                0.992171
               62             6              63            6                0.960307
               62             6              69            1                0.998302
               62             6              70            1                0.992034
               63             6              64            6                0.977676
               63             6              71            1                0.983985
               63             6              72            1                0.997643
               64             6              73            1                0.992840
               64             6              74            1                0.991981
               75             6              76            6                0.966358
               75             6              79            6                0.964741
               75             6              80            1                0.991734
               75             6              81            1                0.990739
               76             6              77            6                0.985226
               76             6              82            1                0.994062
               76             6              83            1                0.985153
               77             6              78            6                0.976751
               77             6              84            1                0.985086
               77             6              85            1                0.987798
               78             6              79            6                0.954779
               78             6              86            1                0.986722
               78             6              87            1                1.000010
               79             6              88            1                0.994549
               79             6              89            1                0.992573
# -----------------------------------------------------------
$ 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     6.1849     6.0000    -0.1849     4.0360     3.7162     0.3198
  1   0     6.1376     6.0000    -0.1376     4.0155     3.7030     0.3125
  2   0     6.2101     6.0000    -0.2101     4.0002     3.6802     0.3200
  3   0     6.1655     6.0000    -0.1655     4.0039     3.6759     0.3280
  4   0     6.1474     6.0000    -0.1474     4.0038     3.6827     0.3211
  5   0     0.9168     1.0000     0.0832     0.9873     0.9345     0.0528
  6   0     0.9075     1.0000     0.0925     0.9837     0.9313     0.0524
  7   0     0.9226     1.0000     0.0774     0.9857     0.9314     0.0543
  8   0     0.9062     1.0000     0.0938     0.9859     0.9350     0.0509
  9   0     0.9240     1.0000     0.0760     0.9827     0.9296     0.0531
 10   0     0.9155     1.0000     0.0845     0.9857     0.9330     0.0527
 11   0     0.9238     1.0000     0.0762     0.9922     0.9383     0.0539
 12   0     0.9130     1.0000     0.0870     0.9862     0.9340     0.0522
 13   0     0.9126     1.0000     0.0874     0.9888     0.9391     0.0497
 14   0     0.9115     1.0000     0.0885     0.9853     0.9332     0.0521
 15   0     6.1478     6.0000    -0.1478     4.0002     3.6861     0.3141
 16   0     6.1497     6.0000    -0.1497     3.9874     3.6752     0.3122
 17   0     6.2144     6.0000    -0.2144     3.9861     3.6618     0.3243
 18   0     6.1543     6.0000    -0.1543     4.0083     3.6861     0.3222
 19   0     6.1794     6.0000    -0.1794     4.0297     3.7076     0.3221
 20   0     0.9146     1.0000     0.0854     0.9842     0.9314     0.0528
 21   0     0.9201     1.0000     0.0799     0.9906     0.9363     0.0543
 22   0     0.9051     1.0000     0.0949     0.9814     0.9309     0.0505
 23   0     0.9296     1.0000     0.0704     0.9827     0.9287     0.0540
 24   0     0.9275     1.0000     0.0725     0.9816     0.9267     0.0549
 25   0     0.9119     1.0000     0.0881     0.9836     0.9337     0.0499
 26   0     0.9117     1.0000     0.0883     0.9861     0.9349     0.0512
 27   0     0.9110     1.0000     0.0890     0.9848     0.9327     0.0521
 28   0     0.9201     1.0000     0.0799     0.9882     0.9358     0.0524
 29   0     0.9038     1.0000     0.0962     0.9856     0.9340     0.0516
 30   0     6.2516     6.0000    -0.2516     4.0354     3.7036     0.3318
 31   0     6.1155     6.0000    -0.1155     3.9917     3.6734     0.3183
 32   0     6.1894     6.0000    -0.1894     4.0280     3.7029     0.3251
 33   0     6.0764     6.0000    -0.0764     3.9822     3.6733     0.3089
 34   0     6.1372     6.0000    -0.1372     3.9658     3.6360     0.3298
 35   0     0.9186     1.0000     0.0814     0.9766     0.9192     0.0574
 36   0     0.8972     1.0000     0.1028     0.9846     0.9349     0.0497
 37   0     0.9099     1.0000     0.0901     0.9830     0.9330     0.0500
 38   0     0.9034     1.0000     0.0966     0.9866     0.9356     0.0510
 39   0     0.9242     1.0000     0.0758     0.9974     0.9461     0.0513
 40   0     0.9161     1.0000     0.0839     0.9765     0.9226     0.0539
 41   0     0.9676     1.0000     0.0324     1.0273     0.9727     0.0546
 42   0     0.9345     1.0000     0.0655     0.9895     0.9341     0.0554
 43   0     0.9056     1.0000     0.0944     0.9828     0.9282     0.0546
 44   0     0.9462     1.0000     0.0538     0.9988     0.9428     0.0560
 45   0     6.1576     6.0000    -0.1576     3.9678     3.6414     0.3264
 46   0     6.1581     6.0000    -0.1581     4.0115     3.6902     0.3213
 47   0     6.2173     6.0000    -0.2173     3.9986     3.6571     0.3415
 48   0     6.1913     6.0000    -0.1913     3.9417     3.6136     0.3281
 49   0     6.1829     6.0000    -0.1829     3.9857     3.6564     0.3293
 50   0     0.9202     1.0000     0.0798     0.9844     0.9298     0.0546
 51   0     0.9037     1.0000     0.0963     0.9814     0.9281     0.0533
 52   0     0.9131     1.0000     0.0869     0.9923     0.9420     0.0503
 53   0     0.9064     1.0000     0.0936     0.9813     0.9286     0.0527
 54   0     0.9012     1.0000     0.0988     0.9797     0.9252     0.0545
 55   0     0.8980     1.0000     0.1020     0.9856     0.9327     0.0529
 56   0     0.9198     1.0000     0.0802     0.9756     0.9198     0.0558
 57   0     0.9007     1.0000     0.0993     0.9841     0.9362     0.0479
 58   0     0.9198     1.0000     0.0802     0.9875     0.9316     0.0559
 59   0     0.9020     1.0000     0.0980     0.9816     0.9291     0.0525
 60   0     6.1546     6.0000    -0.1546     3.9998     3.6814     0.3184
 61   0     6.0651     6.0000    -0.0651     3.9367     3.6242     0.3125
 62   0     6.2034     6.0000    -0.2034     3.9977     3.6732     0.3245
 63   0     6.1462     6.0000    -0.1462     3.9986     3.6737     0.3249
 64   0     6.2033     6.0000    -0.2033     4.0162     3.6882     0.3280
 65   0     0.9183     1.0000     0.0817     0.9833     0.9305     0.0528
 66   0     0.9147     1.0000     0.0853     0.9900     0.9396     0.0504
 67   0     0.9283     1.0000     0.0717     0.9886     0.9378     0.0508
 68   0     1.0001     1.0000    -0.0001     1.0481     0.9927     0.0554
 69   0     0.9219     1.0000     0.0781     0.9945     0.9448     0.0497
 70   0     0.9133     1.0000     0.0867     0.9818     0.9302     0.0516
 71   0     0.9065     1.0000     0.0935     0.9821     0.9270     0.0551
 72   0     0.9154     1.0000     0.0846     0.9959     0.9468     0.0491
 73   0     0.9170     1.0000     0.0830     0.9868     0.9337     0.0531
 74   0     0.9085     1.0000     0.0915     0.9854     0.9337     0.0517
 75   0     6.1622     6.0000    -0.1622     3.9851     3.6647     0.3204
 76   0     6.1824     6.0000    -0.1824     4.0111     3.6861     0.3250
 77   0     6.1605     6.0000    -0.1605     4.0189     3.6966     0.3223
 78   0     6.1890     6.0000    -0.1890     3.9877     3.6627     0.3250
 79   0     6.1728     6.0000    -0.1728     3.9829     3.6557     0.3272
 80   0     0.9107     1.0000     0.0893     0.9885     0.9368     0.0517
 81   0     0.9266     1.0000     0.0734     0.9899     0.9354     0.0545
 82   0     0.9405     1.0000     0.0595     0.9825     0.9284     0.0541
 83   0     0.9056     1.0000     0.0944     0.9791     0.9248     0.0543
 84   0     0.9089     1.0000     0.0911     0.9852     0.9333     0.0519
 85   0     0.9047     1.0000     0.0953     0.9837     0.9311     0.0526
 86   0     0.9008     1.0000     0.0992     0.9813     0.9300     0.0513
 87   0     0.9175     1.0000     0.0825     0.9817     0.9293     0.0524
 88   0     0.9117     1.0000     0.0883     0.9853     0.9312     0.0541
 89   0     0.9047     1.0000     0.0953     0.9781     0.9244     0.0537
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.925670
                0             6               4            6                0.922477
                0             6               5            1                0.949550
                0             6               6            1                0.949272
                1             6               2            6                0.912107
                1             6               7            1                0.948940
                1             6               8            1                0.954254
                2             6               3            6                0.916282
                2             6               9            1                0.949261
                2             6              10            1                0.945257
                3             6               4            6                0.894133
                3             6              11            1                0.951991
                3             6              12            1                0.948298
                4             6              13            1                0.960356
                4             6              14            1                0.945034
               15             6              16            6                0.920979
               15             6              19            6                0.908946
               15             6              20            1                0.949747
               15             6              21            1                0.946463
               16             6              17            6                0.890899
               16             6              22            1                0.949455
               16             6              23            1                0.957203
               17             6              18            6                0.900129
               17             6              24            1                0.950788
               17             6              25            1                0.959193
               18             6              19            6                0.922340
               18             6              26            1                0.950763
               18             6              27            1                0.951248
               19             6              28            1                0.949117
               19             6              29            1                0.943791
               30             6              31            6                0.922495
               30             6              34            6                0.883113
               30             6              35            1                0.954404
               30             6              36            1                0.946547
               31             6              32            6                0.902085
               31             6              37            1                0.947927
               31             6              38            1                0.955360
               32             6              33            6                0.907271
               32             6              39            1                0.951646
               32             6              40            1                0.955215
               33             6              34            6                0.903872
               33             6              41            1                0.955366
               33             6              42            1                0.959569
               34             6              43            1                0.937113
               34             6              44            1                0.960731
               45             6              46            6                0.906657
               45             6              49            6                0.899605
               45             6              50            1                0.956082
               45             6              51            1                0.941780
               46             6              47            6                0.910910
               46             6              52            1                0.950601
               46             6              53            1                0.950297
               47             6              48            6                0.886306
               47             6              54            1                0.944057
               47             6              55            1                0.945285
               48             6              49            6                0.881107
               48             6              56            1                0.956594
               48             6              57            1                0.955579
               49             6              58            1                0.951570
               49             6              59            1                0.954471
               60             6              61            6                0.897375
               60             6              64            6                0.904780
               60             6              65            1                0.950175
               60             6              66            1                0.955753
               61             6              62            6                0.887421
               61             6              67            1                0.957373
               61             6              68            1                0.952468
               62             6              63            6                0.897878
               62             6              69            1                0.958091
               62             6              70            1                0.950993
               63             6              64            6                0.909777
               63             6              71            1                0.939615
               63             6              72            1                0.959190
               64             6              73            1                0.950668
               64             6              74            1                0.950834
               75             6              76            6                0.904424
               75             6              79            6                0.902639
               75             6              80            1                0.950568
               75             6              81            1                0.948467
               76             6              77            6                0.922424
               76             6              82            1                0.951807
               76             6              83            1                0.941511
               77             6              78            6                0.912775
               77             6              84            1                0.943926
               77             6              85            1                0.945780
               78             6              79            6                0.891351
               78             6              86            1                0.945820
               78             6              87            1                0.958042
               79             6              88            1                0.951193
               79             6              89            1                0.949273
# -----------------------------------------------------------
$ 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     6.2312     6.0000    -0.2312     4.0304     3.7150     0.3154
  1   0     6.1834     6.0000    -0.1834     4.0043     3.6961     0.3082
  2   0     6.2625     6.0000    -0.2625     3.9954     3.6801     0.3153
  3   0     6.2264     6.0000    -0.2264     3.9927     3.6690     0.3237
  4   0     6.1917     6.0000    -0.1917     3.9812     3.6639     0.3173
  5   0     0.8924     1.0000     0.1076     0.9780     0.9262     0.0518
  6   0     0.8855     1.0000     0.1145     0.9753     0.9239     0.0514
  7   0     0.8986     1.0000     0.1014     0.9773     0.9240     0.0533
  8   0     0.8844     1.0000     0.1156     0.9786     0.9287     0.0499
  9   0     0.8959     1.0000     0.1041     0.9742     0.9225     0.0517
 10   0     0.8894     1.0000     0.1106     0.9764     0.9249     0.0515
 11   0     0.8941     1.0000     0.1059     0.9846     0.9320     0.0526
 12   0     0.8844     1.0000     0.1156     0.9765     0.9257     0.0508
 13   0     0.8897     1.0000     0.1103     0.9816     0.9329     0.0487
 14   0     0.8903     1.0000     0.1097     0.9788     0.9276     0.0512
 15   0     6.1978     6.0000    -0.1978     3.9936     3.6837     0.3099
 16   0     6.2044     6.0000    -0.2044     3.9725     3.6644     0.3081
 17   0     6.2612     6.0000    -0.2612     3.9656     3.6454     0.3202
 18   0     6.2057     6.0000    -0.2057     3.9949     3.6764     0.3185
 19   0     6.2304     6.0000    -0.2304     4.0253     3.7073     0.3180
 20   0     0.8902     1.0000     0.1098     0.9771     0.9254     0.0517
 21   0     0.8946     1.0000     0.1054     0.9830     0.9298     0.0532
 22   0     0.8804     1.0000     0.1196     0.9740     0.9245     0.0495
 23   0     0.9016     1.0000     0.0984     0.9730     0.9201     0.0529
 24   0     0.8995     1.0000     0.1005     0.9721     0.9183     0.0538
 25   0     0.8840     1.0000     0.1160     0.9727     0.9239     0.0488
 26   0     0.8869     1.0000     0.1131     0.9771     0.9270     0.0501
 27   0     0.8874     1.0000     0.1126     0.9765     0.9253     0.0512
 28   0     0.8955     1.0000     0.1045     0.9812     0.9298     0.0514
 29   0     0.8815     1.0000     0.1185     0.9773     0.9266     0.0507
 30   0     6.2825     6.0000    -0.2825     4.0032     3.6761     0.3271
 31   0     6.1781     6.0000    -0.1781     3.9762     3.6619     0.3143
 32   0     6.2475     6.0000    -0.2475     4.0118     3.6913     0.3205
 33   0     6.1443     6.0000    -0.1443     3.9641     3.6598     0.3043
 34   0     6.1851     6.0000    -0.1851     3.9521     3.6272     0.3249
 35   0     0.8932     1.0000     0.1068     0.9724     0.9162     0.0562
 36   0     0.8755     1.0000     0.1245     0.9785     0.9299     0.0486
 37   0     0.8889     1.0000     0.1111     0.9771     0.9281     0.0490
 38   0     0.8768     1.0000     0.1232     0.9769     0.9271     0.0498
 39   0     0.8971     1.0000     0.1029     0.9924     0.9426     0.0498
 40   0     0.8887     1.0000     0.1113     0.9698     0.9172     0.0526
 41   0     0.9261     1.0000     0.0739     1.0207     0.9677     0.0530
 42   0     0.9065     1.0000     0.0935     0.9809     0.9269     0.0540
 43   0     0.8865     1.0000     0.1135     0.9791     0.9256     0.0535
 44   0     0.9154     1.0000     0.0846     0.9907     0.9361     0.0546
 45   0     6.2099     6.0000    -0.2099     3.9511     3.6290     0.3221
 46   0     6.2090     6.0000    -0.2090     3.9974     3.6804     0.3170
 47   0     6.2543     6.0000    -0.2543     3.9798     3.6429     0.3369
 48   0     6.2577     6.0000    -0.2577     3.9504     3.6269     0.3235
 49   0     6.2191     6.0000    -0.2191     3.9679     3.6434     0.3245
 50   0     0.8942     1.0000     0.1058     0.9745     0.9210     0.0535
 51   0     0.8819     1.0000     0.1181     0.9765     0.9242     0.0523
 52   0     0.8878     1.0000     0.1122     0.9840     0.9348     0.0492
 53   0     0.8853     1.0000     0.1147     0.9748     0.9230     0.0518
 54   0     0.8776     1.0000     0.1224     0.9746     0.9213     0.0533
 55   0     0.8783     1.0000     0.1217     0.9786     0.9267     0.0519
 56   0     0.8882     1.0000     0.1118     0.9669     0.9126     0.0543
 57   0     0.8732     1.0000     0.1268     0.9740     0.9273     0.0467
 58   0     0.8928     1.0000     0.1072     0.9837     0.9293     0.0544
 59   0     0.8830     1.0000     0.1170     0.9747     0.9231     0.0516
 60   0     6.2038     6.0000    -0.2038     3.9704     3.6561     0.3143
 61   0     6.1415     6.0000    -0.1415     3.9208     3.6123     0.3085
 62   0     6.2551     6.0000    -0.2551     3.9731     3.6529     0.3202
 63   0     6.1947     6.0000    -0.1947     3.9796     3.6589     0.3207
 64   0     6.2504     6.0000    -0.2504     3.9960     3.6721     0.3239
 65   0     0.8934     1.0000     0.1066     0.9777     0.9260     0.0517
 66   0     0.8890     1.0000     0.1110     0.9831     0.9338     0.0493
 67   0     0.9005     1.0000     0.0995     0.9815     0.9319     0.0496
 68   0     0.9575     1.0000     0.0425     1.0423     0.9885     0.0538
 69   0     0.8890     1.0000     0.1110     0.9825     0.9342     0.0483
 70   0     0.8877     1.0000     0.1123     0.9783     0.9279     0.0504
 71   0     0.8848     1.0000     0.1152     0.9757     0.9215     0.0542
 72   0     0.8904     1.0000     0.1096     0.9879     0.9399     0.0480
 73   0     0.8916     1.0000     0.1084     0.9781     0.9260     0.0521
 74   0     0.8838     1.0000     0.1162     0.9777     0.9271     0.0506
 75   0     6.2082     6.0000    -0.2082     3.9709     3.6549     0.3160
 76   0     6.2307     6.0000    -0.2307     4.0010     3.6808     0.3202
 77   0     6.2058     6.0000    -0.2058     4.0016     3.6835     0.3181
 78   0     6.2355     6.0000    -0.2355     3.9719     3.6511     0.3208
 79   0     6.2170     6.0000    -0.2170     3.9710     3.6483     0.3227
 80   0     0.8862     1.0000     0.1138     0.9791     0.9285     0.0506
 81   0     0.9038     1.0000     0.0962     0.9888     0.9356     0.0532
 82   0     0.9176     1.0000     0.0824     0.9838     0.9309     0.0529
 83   0     0.8829     1.0000     0.1171     0.9709     0.9176     0.0533
 84   0     0.8862     1.0000     0.1138     0.9799     0.9290     0.0509
 85   0     0.8831     1.0000     0.1169     0.9759     0.9243     0.0516
 86   0     0.8781     1.0000     0.1219     0.9743     0.9240     0.0503
 87   0     0.8934     1.0000     0.1066     0.9730     0.9216     0.0514
 88   0     0.8877     1.0000     0.1123     0.9776     0.9246     0.0530
 89   0     0.8851     1.0000     0.1149     0.9724     0.9196     0.0528
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.943183
                0             6               4            6                0.932626
                0             6               5            1                0.934484
                0             6               6            1                0.933288
                1             6               2            6                0.924222
                1             6               7            1                0.932326
                1             6               8            1                0.938081
                2             6               3            6                0.928063
                2             6               9            1                0.934612
                2             6              10            1                0.929686
                3             6               4            6                0.899839
                3             6              11            1                0.940768
                3             6              12            1                0.932310
                4             6              13            1                0.946613
                4             6              14            1                0.931364
               15             6              16            6                0.934542
               15             6              19            6                0.922128
               15             6              20            1                0.937728
               15             6              21            1                0.933239
               16             6              17            6                0.897679
               16             6              22            1                0.936791
               16             6              23            1                0.941897
               17             6              18            6                0.908430
               17             6              24            1                0.936055
               17             6              25            1                0.945613
               18             6              19            6                0.929960
               18             6              26            1                0.939070
               18             6              27            1                0.938670
               19             6              28            1                0.936994
               19             6              29            1                0.933149
               30             6              31            6                0.929545
               30             6              34            6                0.888755
               30             6              35            1                0.938597
               30             6              36            1                0.934180
               31             6              32            6                0.907661
               31             6              37            1                0.933180
               31             6              38            1                0.940938
               32             6              33            6                0.914630
               32             6              39            1                0.934925
               32             6              40            1                0.942220
               33             6              34            6                0.917188
               33             6              41            1                0.944465
               33             6              42            1                0.940591
               34             6              43            1                0.921021
               34             6              44            1                0.949490
               45             6              46            6                0.916641
               45             6              49            6                0.905417
               45             6              50            1                0.941317
               45             6              51            1                0.931197
               46             6              47            6                0.916831
               46             6              52            1                0.940247
               46             6              53            1                0.934341
               47             6              48            6                0.892231
               47             6              54            1                0.931321
               47             6              55            1                0.931446
               48             6              49            6                0.900571
               48             6              56            1                0.940226
               48             6              57            1                0.941839
               49             6              58            1                0.934293
               49             6              59            1                0.935410
               60             6              61            6                0.900815
               60             6              64            6                0.912423
               60             6              65            1                0.936364
               60             6              66            1                0.946359
               61             6              62            6                0.885709
               61             6              67            1                0.947148
               61             6              68            1                0.947581
               62             6              63            6                0.907408
               62             6              69            1                0.945128
               62             6              70            1                0.941419
               63             6              64            6                0.913536
               63             6              71            1                0.925073
               63             6              72            1                0.949515
               64             6              73            1                0.937938
               64             6              74            1                0.938711
               75             6              76            6                0.914369
               75             6              79            6                0.916357
               75             6              80            1                0.934552
               75             6              81            1                0.934863
               76             6              77            6                0.931163
               76             6              82            1                0.937473
               76             6              83            1                0.927189
               77             6              78            6                0.919772
               77             6              84            1                0.933182
               77             6              85            1                0.931491
               78             6              79            6                0.900176
               78             6              86            1                0.934474
               78             6              87            1                0.944132
               79             6              88            1                0.936707
               79             6              89            1                0.934363
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1750315643
        Correlation Energy:       -5.0766923871
        Total MP2 Energy:      -1176.2517239514
# -----------------------------------------------------------
$ 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) :        0.4379126387
        Electronic Contribution:
                  0    
      0       0.132639
      1       0.198397
      2      -0.884019
        Nuclear Contribution:
                  0    
      0      -0.064267
      1      -0.096401
      2       0.763172
        Total Dipole moment:
                  0    
      0       0.068372
      1       0.101996
      2      -0.120847
# -----------------------------------------------------------
$ 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) :        0.4359492602
        Electronic Contribution:
                  0    
      0       0.131372
      1       0.198243
      2      -0.883760
        Nuclear Contribution:
                  0    
      0      -0.064267
      1      -0.096401
      2       0.763172
        Total Dipole moment:
                  0    
      0       0.067105
      1       0.101843
      2      -0.120588
# -----------------------------------------------------------
$ 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) :        0.3438976269
        Electronic Contribution:
                  0    
      0       0.112326
      1       0.178051
      2      -0.859758
        Nuclear Contribution:
                  0    
      0      -0.064267
      1      -0.096401
      2       0.763172
        Total Dipole moment:
                  0    
      0       0.048059
      1       0.081650
      2      -0.096586
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     21.190000000000   16.240000000000   22.210000000000
               1 C     19.900000000000   16.210000000000   22.980000000000
               2 C     18.810000000000   16.740000000000   22.100000000000
               3 C     19.470000000000   17.590000000000   21.070000000000
               4 C     20.930000000000   17.010000000000   20.890000000000
               5 H     21.530000000000   15.220000000000   21.960000000000
               6 H     22.070000000000   16.720000000000   22.680000000000
               7 H     19.980000000000   16.900000000000   23.860000000000
               8 H     19.680000000000   15.220000000000   23.380000000000
               9 H     18.090000000000   17.350000000000   22.650000000000
              10 H     18.230000000000   15.900000000000   21.670000000000
              11 H     19.550000000000   18.660000000000   21.380000000000
              12 H     18.900000000000   17.530000000000   20.140000000000
              13 H     21.460000000000   17.910000000000   20.800000000000
              14 H     20.990000000000   16.380000000000   19.980000000000
              15 C     17.960000000000   22.150000000000   23.140000000000
              16 C     17.670000000000   22.930000000000   24.360000000000
              17 C     18.920000000000   22.990000000000   25.210000000000
              18 C     20.090000000000   22.410000000000   24.320000000000
              19 C     19.440000000000   21.780000000000   23.020000000000
              20 H     17.610000000000   22.800000000000   22.320000000000
              21 H     17.280000000000   21.270000000000   23.230000000000
              22 H     16.820000000000   22.680000000000   24.980000000000
              23 H     17.530000000000   24.000000000000   24.160000000000
              24 H     18.790000000000   22.510000000000   26.200000000000
              25 H     19.170000000000   23.890000000000   25.670000000000
              26 H     20.630000000000   21.690000000000   24.910000000000
              27 H     20.810000000000   23.200000000000   24.070000000000
              28 H     19.530000000000   20.690000000000   23.000000000000
              29 H     19.940000000000   22.140000000000   22.100000000000
              30 C     15.100000000000   19.770000000000   20.950000000000
              31 C     13.840000000000   19.050000000000   20.490000000000
              32 C     14.290000000000   17.910000000000   19.570000000000
              33 C     15.730000000000   18.070000000000   19.280000000000
              34 C     16.310000000000   19.020000000000   20.270000000000
              35 H     15.360000000000   19.520000000000   22.040000000000
              36 H     15.160000000000   20.830000000000   20.810000000000
              37 H     13.270000000000   19.770000000000   19.940000000000
              38 H     13.250000000000   18.710000000000   21.350000000000
              39 H     13.610000000000   17.880000000000   18.710000000000
              40 H     14.080000000000   16.950000000000   20.090000000000
              41 H     15.970000000000   18.340000000000   18.290000000000
              42 H     16.250000000000   17.120000000000   19.530000000000
              43 H     17.070000000000   19.710000000000   19.760000000000
              44 H     16.710000000000   18.420000000000   21.110000000000
              45 C     16.480000000000   19.260000000000   13.770000000000
              46 C     16.520000000000   20.400000000000   14.710000000000
              47 C     16.480000000000   19.670000000000   16.150000000000
              48 C     16.750000000000   18.110000000000   15.930000000000
              49 C     16.770000000000   17.840000000000   14.480000000000
              50 H     17.380000000000   19.450000000000   13.160000000000
              51 H     15.590000000000   19.340000000000   13.090000000000
              52 H     15.640000000000   20.970000000000   14.510000000000
              53 H     17.470000000000   20.960000000000   14.490000000000
              54 H     15.440000000000   19.860000000000   16.550000000000
              55 H     17.290000000000   20.030000000000   16.830000000000
              56 H     15.970000000000   17.430000000000   16.370000000000
              57 H     17.590000000000   17.790000000000   16.450000000000
              58 H     16.000000000000   17.030000000000   14.300000000000
              59 H     17.730000000000   17.380000000000   14.130000000000
              60 C     13.230000000000   15.700000000000   23.610000000000
              61 C     14.450000000000   16.360000000000   22.940000000000
              62 C     15.480000000000   15.260000000000   22.600000000000
              63 C     14.970000000000   13.930000000000   23.220000000000
              64 C     13.540000000000   14.220000000000   23.900000000000
              65 H     12.410000000000   15.760000000000   22.880000000000
              66 H     13.030000000000   16.220000000000   24.530000000000
              67 H     14.880000000000   16.910000000000   23.730000000000
              68 H     14.260000000000   16.910000000000   22.080000000000
              69 H     16.400000000000   15.560000000000   23.030000000000
              70 H     15.640000000000   15.250000000000   21.530000000000
              71 H     15.670000000000   13.510000000000   24.040000000000
              72 H     14.770000000000   13.240000000000   22.470000000000
              73 H     13.510000000000   14.130000000000   25.000000000000
              74 H     12.840000000000   13.470000000000   23.520000000000
              75 C     12.960000000000   17.920000000000   15.320000000000
              76 C     13.420000000000   16.480000000000   15.090000000000
              77 C     12.720000000000   15.600000000000   16.150000000000
              78 C     11.500000000000   16.440000000000   16.640000000000
              79 C     11.590000000000   17.850000000000   16.040000000000
              80 H     12.950000000000   18.410000000000   14.350000000000
              81 H     13.650000000000   18.520000000000   15.910000000000
              82 H     14.480000000000   16.440000000000   15.170000000000
              83 H     13.270000000000   16.140000000000   14.010000000000
              84 H     13.400000000000   15.410000000000   16.990000000000
              85 H     12.310000000000   14.650000000000   15.720000000000
              86 H     11.300000000000   16.430000000000   17.720000000000
              87 H     10.600000000000   16.070000000000   16.160000000000
              88 H     11.470000000000   18.550000000000   16.910000000000
              89 H     10.680000000000   17.970000000000   15.370000000000
