-------------------------------------------------------------
----------------------- !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:    -1171.1849240866
# -----------------------------------------------------------
$ 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     6.1716     6.0000    -0.1716     3.9197     3.9197    -0.0000
  1   0     6.0274     6.0000    -0.0274     3.8383     3.8383    -0.0000
  2   0     6.2243     6.0000    -0.2243     3.9365     3.9365    -0.0000
  3   0     6.1518     6.0000    -0.1518     3.8900     3.8900    -0.0000
  4   0     6.1521     6.0000    -0.1521     3.8819     3.8819    -0.0000
  5   0     0.9124     1.0000     0.0876     0.9768     0.9768     0.0000
  6   0     0.9367     1.0000     0.0633     0.9835     0.9835     0.0000
  7   0     0.9509     1.0000     0.0491     0.9999     0.9999    -0.0000
  8   0     0.9429     1.0000     0.0571     1.0074     1.0074     0.0000
  9   0     0.9102     1.0000     0.0898     0.9684     0.9684    -0.0000
 10   0     0.9350     1.0000     0.0650     0.9776     0.9776    -0.0000
 11   0     0.9275     1.0000     0.0725     0.9717     0.9717    -0.0000
 12   0     0.9057     1.0000     0.0943     0.9748     0.9748     0.0000
 13   0     0.9539     1.0000     0.0461     0.9923     0.9923     0.0000
 14   0     0.9104     1.0000     0.0896     0.9725     0.9725     0.0000
 15   0     6.2093     6.0000    -0.2093     3.9118     3.9118    -0.0000
 16   0     6.1569     6.0000    -0.1569     3.8618     3.8618     0.0000
 17   0     6.1772     6.0000    -0.1772     3.8654     3.8654     0.0000
 18   0     6.1865     6.0000    -0.1865     3.9057     3.9057     0.0000
 19   0     6.0922     6.0000    -0.0922     3.8949     3.8949     0.0000
 20   0     0.9241     1.0000     0.0759     0.9745     0.9745    -0.0000
 21   0     0.8944     1.0000     0.1056     0.9698     0.9698    -0.0000
 22   0     0.9173     1.0000     0.0827     0.9850     0.9850     0.0000
 23   0     0.9130     1.0000     0.0870     0.9739     0.9739    -0.0000
 24   0     0.9232     1.0000     0.0768     0.9770     0.9770    -0.0000
 25   0     0.9275     1.0000     0.0725     0.9731     0.9731    -0.0000
 26   0     0.9111     1.0000     0.0889     0.9740     0.9740     0.0000
 27   0     0.9234     1.0000     0.0766     0.9754     0.9754     0.0000
 28   0     0.9278     1.0000     0.0722     0.9866     0.9866     0.0000
 29   0     0.9102     1.0000     0.0898     0.9717     0.9717     0.0000
 30   0     6.1355     6.0000    -0.1355     3.9090     3.9090    -0.0000
 31   0     6.1694     6.0000    -0.1694     3.8756     3.8756    -0.0000
 32   0     6.1354     6.0000    -0.1354     3.8751     3.8751     0.0000
 33   0     6.1983     6.0000    -0.1983     3.9110     3.9110    -0.0000
 34   0     6.1360     6.0000    -0.1360     3.9078     3.9078    -0.0000
 35   0     0.9254     1.0000     0.0746     0.9765     0.9765     0.0000
 36   0     0.9212     1.0000     0.0788     0.9782     0.9782    -0.0000
 37   0     0.9089     1.0000     0.0911     0.9781     0.9781    -0.0000
 38   0     0.9291     1.0000     0.0709     0.9800     0.9800     0.0000
 39   0     0.9228     1.0000     0.0772     0.9853     0.9853     0.0000
 40   0     0.9350     1.0000     0.0650     0.9939     0.9939    -0.0000
 41   0     0.9189     1.0000     0.0811     0.9750     0.9750    -0.0000
 42   0     0.9145     1.0000     0.0855     0.9768     0.9768    -0.0000
 43   0     0.9285     1.0000     0.0715     0.9815     0.9815    -0.0000
 44   0     0.9238     1.0000     0.0762     0.9756     0.9756    -0.0000
 45   0     6.1895     6.0000    -0.1895     3.8820     3.8820    -0.0000
 46   0     6.1528     6.0000    -0.1528     3.9010     3.9010    -0.0000
 47   0     6.1560     6.0000    -0.1560     3.9164     3.9164     0.0000
 48   0     6.1350     6.0000    -0.1350     3.8801     3.8801    -0.0000
 49   0     6.1530     6.0000    -0.1530     3.8688     3.8688     0.0000
 50   0     0.9132     1.0000     0.0868     0.9680     0.9680    -0.0000
 51   0     0.9234     1.0000     0.0766     0.9802     0.9802    -0.0000
 52   0     0.9240     1.0000     0.0760     0.9766     0.9766    -0.0000
 53   0     0.9068     1.0000     0.0932     0.9739     0.9739    -0.0000
 54   0     0.9257     1.0000     0.0743     0.9695     0.9695    -0.0000
 55   0     0.9178     1.0000     0.0822     0.9792     0.9792    -0.0000
 56   0     0.9322     1.0000     0.0678     0.9756     0.9756    -0.0000
 57   0     0.9097     1.0000     0.0903     0.9702     0.9702    -0.0000
 58   0     0.9039     1.0000     0.0961     0.9675     0.9675     0.0000
 59   0     0.9539     1.0000     0.0461     0.9937     0.9937     0.0000
 60   0     6.1611     6.0000    -0.1611     3.8673     3.8673    -0.0000
 61   0     6.1947     6.0000    -0.1947     3.8462     3.8462    -0.0000
 62   0     6.1854     6.0000    -0.1854     3.9101     3.9101    -0.0000
 63   0     6.0883     6.0000    -0.0883     3.8924     3.8924     0.0000
 64   0     6.1921     6.0000    -0.1921     3.9162     3.9162     0.0000
 65   0     0.9088     1.0000     0.0912     0.9715     0.9715    -0.0000
 66   0     0.9179     1.0000     0.0821     0.9727     0.9727    -0.0000
 67   0     0.9092     1.0000     0.0908     0.9675     0.9675    -0.0000
 68   0     0.9149     1.0000     0.0851     0.9685     0.9685    -0.0000
 69   0     0.9073     1.0000     0.0927     0.9727     0.9727     0.0000
 70   0     0.9202     1.0000     0.0798     0.9676     0.9676     0.0000
 71   0     0.9194     1.0000     0.0806     0.9793     0.9793     0.0000
 72   0     0.9384     1.0000     0.0616     0.9844     0.9844    -0.0000
 73   0     0.9202     1.0000     0.0798     0.9747     0.9747    -0.0000
 74   0     0.9133     1.0000     0.0867     0.9767     0.9767    -0.0000
 75   0     6.1820     6.0000    -0.1820     3.9324     3.9324     0.0000
 76   0     6.0675     6.0000    -0.0675     3.8523     3.8523     0.0000
 77   0     6.2212     6.0000    -0.2212     3.8982     3.8982    -0.0000
 78   0     6.1889     6.0000    -0.1889     3.9108     3.9108    -0.0000
 79   0     6.1439     6.0000    -0.1439     3.8900     3.8900     0.0000
 80   0     0.9112     1.0000     0.0888     0.9713     0.9713    -0.0000
 81   0     0.9253     1.0000     0.0747     0.9811     0.9811    -0.0000
 82   0     0.9381     1.0000     0.0619     0.9903     0.9903    -0.0000
 83   0     0.9323     1.0000     0.0677     0.9872     0.9872     0.0000
 84   0     0.9036     1.0000     0.0964     0.9741     0.9741    -0.0000
 85   0     0.9179     1.0000     0.0821     0.9714     0.9714     0.0000
 86   0     0.9174     1.0000     0.0826     0.9742     0.9742    -0.0000
 87   0     0.9164     1.0000     0.0836     0.9759     0.9759    -0.0000
 88   0     0.9056     1.0000     0.0944     0.9708     0.9708    -0.0000
 89   0     0.9309     1.0000     0.0691     0.9769     0.9769    -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                0.958620
                0             6               4            6                0.974798
                0             6               5            1                0.990962
                0             6               6            1                0.997945
                1             6               2            6                0.958682
                1             6               7            1                0.991124
                1             6               8            1                0.996114
                2             6               3            6                0.978589
                2             6               9            1                0.991357
                2             6              10            1                1.001223
                3             6               4            6                0.959329
                3             6              11            1                1.002294
                3             6              12            1                0.985444
                4             6              13            1                1.001547
                4             6              14            1                0.986058
               15             6              16            6                0.965253
               15             6              19            6                0.988594
               15             6              20            1                0.994572
               15             6              21            1                0.983155
               16             6              17            6                0.952564
               16             6              22            1                0.996342
               16             6              23            1                0.995581
               17             6              18            6                0.969829
               17             6              24            1                0.994868
               17             6              25            1                0.992798
               18             6              19            6                0.970635
               18             6              26            1                0.998323
               18             6              27            1                0.996973
               19             6              28            1                0.998258
               19             6              29            1                0.986982
               30             6              31            6                0.966274
               30             6              34            6                0.989168
               30             6              35            1                0.986691
               30             6              36            1                0.994028
               31             6              32            6                0.965851
               31             6              37            1                0.983862
               31             6              38            1                0.991469
               32             6              33            6                0.968216
               32             6              39            1                0.993725
               32             6              40            1                0.986985
               33             6              34            6                0.968221
               33             6              41            1                0.995870
               33             6              42            1                0.994489
               34             6              43            1                0.995075
               34             6              44            1                0.990431
               45             6              46            6                0.956076
               45             6              49            6                0.964210
               45             6              50            1                0.990242
               45             6              51            1                1.006278
               46             6              47            6                0.988360
               46             6              52            1                1.003591
               46             6              53            1                0.983801
               47             6              48            6                0.970922
               47             6              54            1                1.004764
               47             6              55            1                0.992163
               48             6              49            6                0.959086
               48             6              56            1                1.002676
               48             6              57            1                0.988606
               49             6              58            1                0.982327
               49             6              59            1                0.996548
               60             6              61            6                0.949079
               60             6              64            6                0.979926
               60             6              65            1                0.982850
               60             6              66            1                0.995521
               61             6              62            6                0.954345
               61             6              67            1                0.999494
               61             6              68            1                0.989844
               62             6              63            6                0.987689
               62             6              69            1                0.989999
               62             6              70            1                0.981629
               63             6              64            6                0.971129
               63             6              71            1                0.992384
               63             6              72            1                0.990284
               64             6              73            1                1.000661
               64             6              74            1                0.987986
               75             6              76            6                0.979187
               75             6              79            6                0.982559
               75             6              80            1                0.988078
               75             6              81            1                0.992901
               76             6              77            6                0.966583
               76             6              82            1                0.982090
               76             6              83            1                0.997518
               77             6              78            6                0.975715
               77             6              84            1                0.987403
               77             6              85            1                0.992218
               78             6              79            6                0.976319
               78             6              86            1                0.985337
               78             6              87            1                0.995382
               79             6              88            1                0.989111
               79             6              89            1                0.998293
# -----------------------------------------------------------
$ 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     6.1791     6.0000    -0.1791     4.0296     3.7016     0.3280
  1   0     6.0340     6.0000    -0.0340     3.9384     3.6235     0.3149
  2   0     6.2322     6.0000    -0.2322     4.0483     3.7213     0.3270
  3   0     6.1587     6.0000    -0.1587     3.9972     3.6770     0.3202
  4   0     6.1602     6.0000    -0.1602     3.9922     3.6619     0.3303
  5   0     0.9083     1.0000     0.0917     0.9858     0.9340     0.0518
  6   0     0.9335     1.0000     0.0665     0.9941     0.9379     0.0562
  7   0     0.9470     1.0000     0.0530     1.0103     0.9558     0.0545
  8   0     0.9400     1.0000     0.0600     1.0192     0.9654     0.0538
  9   0     0.9062     1.0000     0.0938     0.9775     0.9263     0.0512
 10   0     0.9311     1.0000     0.0689     0.9879     0.9320     0.0559
 11   0     0.9237     1.0000     0.0763     0.9819     0.9273     0.0546
 12   0     0.9019     1.0000     0.0981     0.9839     0.9334     0.0505
 13   0     0.9503     1.0000     0.0497     1.0034     0.9468     0.0566
 14   0     0.9065     1.0000     0.0935     0.9817     0.9289     0.0528
 15   0     6.2170     6.0000    -0.2170     4.0252     3.6895     0.3357
 16   0     6.1649     6.0000    -0.1649     3.9761     3.6414     0.3347
 17   0     6.1845     6.0000    -0.1845     3.9773     3.6553     0.3220
 18   0     6.1943     6.0000    -0.1943     4.0172     3.6923     0.3249
 19   0     6.1000     6.0000    -0.1000     3.9990     3.6857     0.3133
 20   0     0.9202     1.0000     0.0798     0.9842     0.9268     0.0574
 21   0     0.8907     1.0000     0.1093     0.9787     0.9268     0.0519
 22   0     0.9134     1.0000     0.0866     0.9942     0.9428     0.0514
 23   0     0.9090     1.0000     0.0910     0.9832     0.9298     0.0534
 24   0     0.9190     1.0000     0.0810     0.9862     0.9343     0.0519
 25   0     0.9238     1.0000     0.0762     0.9833     0.9286     0.0547
 26   0     0.9073     1.0000     0.0927     0.9833     0.9322     0.0511
 27   0     0.9196     1.0000     0.0804     0.9852     0.9298     0.0554
 28   0     0.9240     1.0000     0.0760     0.9961     0.9456     0.0505
 29   0     0.9065     1.0000     0.0935     0.9809     0.9298     0.0511
 30   0     6.1439     6.0000    -0.1439     4.0161     3.7013     0.3148
 31   0     6.1778     6.0000    -0.1778     3.9876     3.6616     0.3260
 32   0     6.1423     6.0000    -0.1423     3.9850     3.6576     0.3274
 33   0     6.2065     6.0000    -0.2065     4.0214     3.7015     0.3199
 34   0     6.1437     6.0000    -0.1437     4.0124     3.7011     0.3113
 35   0     0.9214     1.0000     0.0786     0.9860     0.9316     0.0544
 36   0     0.9171     1.0000     0.0829     0.9874     0.9377     0.0497
 37   0     0.9049     1.0000     0.0951     0.9870     0.9361     0.0509
 38   0     0.9248     1.0000     0.0752     0.9893     0.9380     0.0513
 39   0     0.9189     1.0000     0.0811     0.9951     0.9430     0.0521
 40   0     0.9309     1.0000     0.0691     1.0044     0.9517     0.0527
 41   0     0.9150     1.0000     0.0850     0.9843     0.9315     0.0528
 42   0     0.9107     1.0000     0.0893     0.9859     0.9350     0.0509
 43   0     0.9246     1.0000     0.0754     0.9911     0.9406     0.0505
 44   0     0.9198     1.0000     0.0802     0.9852     0.9328     0.0524
 45   0     6.1971     6.0000    -0.1971     3.9932     3.6679     0.3253
 46   0     6.1607     6.0000    -0.1607     4.0082     3.6885     0.3197
 47   0     6.1632     6.0000    -0.1632     4.0216     3.7161     0.3055
 48   0     6.1434     6.0000    -0.1434     3.9878     3.6727     0.3151
 49   0     6.1602     6.0000    -0.1602     3.9791     3.6547     0.3244
 50   0     0.9093     1.0000     0.0907     0.9774     0.9233     0.0541
 51   0     0.9196     1.0000     0.0804     0.9901     0.9377     0.0524
 52   0     0.9202     1.0000     0.0798     0.9861     0.9331     0.0530
 53   0     0.9032     1.0000     0.0968     0.9830     0.9313     0.0517
 54   0     0.9218     1.0000     0.0782     0.9792     0.9276     0.0516
 55   0     0.9141     1.0000     0.0859     0.9887     0.9382     0.0505
 56   0     0.9283     1.0000     0.0717     0.9854     0.9315     0.0539
 57   0     0.9060     1.0000     0.0940     0.9794     0.9298     0.0496
 58   0     0.8998     1.0000     0.1002     0.9763     0.9227     0.0536
 59   0     0.9503     1.0000     0.0497     1.0049     0.9507     0.0542
 60   0     6.1696     6.0000    -0.1696     3.9799     3.6505     0.3294
 61   0     6.2023     6.0000    -0.2023     3.9605     3.6332     0.3273
 62   0     6.1935     6.0000    -0.1935     4.0225     3.6889     0.3336
 63   0     6.0964     6.0000    -0.0964     3.9968     3.6842     0.3126
 64   0     6.1992     6.0000    -0.1992     4.0248     3.7041     0.3207
 65   0     0.9051     1.0000     0.0949     0.9808     0.9267     0.0541
 66   0     0.9137     1.0000     0.0863     0.9819     0.9298     0.0521
 67   0     0.9051     1.0000     0.0949     0.9766     0.9235     0.0531
 68   0     0.9112     1.0000     0.0888     0.9785     0.9268     0.0517
 69   0     0.9033     1.0000     0.0967     0.9817     0.9290     0.0527
 70   0     0.9161     1.0000     0.0839     0.9774     0.9203     0.0571
 71   0     0.9151     1.0000     0.0849     0.9883     0.9393     0.0490
 72   0     0.9350     1.0000     0.0650     0.9951     0.9411     0.0540
 73   0     0.9163     1.0000     0.0837     0.9843     0.9333     0.0510
 74   0     0.9095     1.0000     0.0905     0.9860     0.9343     0.0517
 75   0     6.1894     6.0000    -0.1894     4.0399     3.7240     0.3159
 76   0     6.0752     6.0000    -0.0752     3.9576     3.6391     0.3185
 77   0     6.2292     6.0000    -0.2292     4.0131     3.6831     0.3300
 78   0     6.1964     6.0000    -0.1964     4.0209     3.6984     0.3225
 79   0     6.1520     6.0000    -0.1520     3.9987     3.6814     0.3173
 80   0     0.9074     1.0000     0.0926     0.9805     0.9307     0.0498
 81   0     0.9214     1.0000     0.0786     0.9906     0.9391     0.0515
 82   0     0.9345     1.0000     0.0655     1.0011     0.9454     0.0557
 83   0     0.9280     1.0000     0.0720     0.9967     0.9480     0.0487
 84   0     0.9001     1.0000     0.0999     0.9836     0.9313     0.0523
 85   0     0.9138     1.0000     0.0862     0.9808     0.9252     0.0556
 86   0     0.9137     1.0000     0.0863     0.9840     0.9308     0.0532
 87   0     0.9124     1.0000     0.0876     0.9851     0.9335     0.0516
 88   0     0.9018     1.0000     0.0982     0.9797     0.9296     0.0501
 89   0     0.9270     1.0000     0.0730     0.9868     0.9327     0.0541
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.895245
                0             6               4            6                0.909482
                0             6               5            1                0.949504
                0             6               6            1                0.953630
                1             6               2            6                0.894521
                1             6               7            1                0.948057
                1             6               8            1                0.955209
                2             6               3            6                0.916593
                2             6               9            1                0.950386
                2             6              10            1                0.956788
                3             6               4            6                0.894775
                3             6              11            1                0.958637
                3             6              12            1                0.945493
                4             6              13            1                0.956941
                4             6              14            1                0.943775
               15             6              16            6                0.895018
               15             6              19            6                0.927887
               15             6              20            1                0.948000
               15             6              21            1                0.941772
               16             6              17            6                0.890149
               16             6              22            1                0.955134
               16             6              23            1                0.952105
               17             6              18            6                0.909799
               17             6              24            1                0.953196
               17             6              25            1                0.949413
               18             6              19            6                0.905736
               18             6              26            1                0.957634
               18             6              27            1                0.952535
               19             6              28            1                0.958593
               19             6              29            1                0.946357
               30             6              31            6                0.906077
               30             6              34            6                0.927411
               30             6              35            1                0.943393
               30             6              36            1                0.954892
               31             6              32            6                0.896917
               31             6              37            1                0.943484
               31             6              38            1                0.950644
               32             6              33            6                0.905400
               32             6              39            1                0.952243
               32             6              40            1                0.946099
               33             6              34            6                0.907758
               33             6              41            1                0.953774
               33             6              42            1                0.954056
               34             6              43            1                0.955461
               34             6              44            1                0.948981
               45             6              46            6                0.890072
               45             6              49            6                0.903291
               45             6              50            1                0.946811
               45             6              51            1                0.964789
               46             6              47            6                0.929424
               46             6              52            1                0.960938
               46             6              53            1                0.942904
               47             6              48            6                0.912945
               47             6              54            1                0.963708
               47             6              55            1                0.952691
               48             6              49            6                0.895070
               48             6              56            1                0.959504
               48             6              57            1                0.949592
               49             6              58            1                0.938726
               49             6              59            1                0.954452
               60             6              61            6                0.887448
               60             6              64            6                0.913007
               60             6              65            1                0.939620
               60             6              66            1                0.953662
               61             6              62            6                0.889826
               61             6              67            1                0.956271
               61             6              68            1                0.948969
               62             6              63            6                0.923951
               62             6              69            1                0.947519
               62             6              70            1                0.935505
               63             6              64            6                0.910592
               63             6              71            1                0.953759
               63             6              72            1                0.948134
               64             6              73            1                0.960281
               64             6              74            1                0.947028
               75             6              76            6                0.914243
               75             6              79            6                0.922780
               75             6              80            1                0.948944
               75             6              81            1                0.952473
               76             6              77            6                0.902952
               76             6              82            1                0.938628
               76             6              83            1                0.959334
               77             6              78            6                0.913531
               77             6              84            1                0.946201
               77             6              85            1                0.947328
               78             6              79            6                0.913082
               78             6              86            1                0.943286
               78             6              87            1                0.954128
               79             6              88            1                0.949307
               79             6              89            1                0.955211
# -----------------------------------------------------------
$ 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     6.2157     6.0000    -0.2157     4.0029     3.6795     0.3234
  1   0     6.1116     6.0000    -0.1116     3.9482     3.6372     0.3110
  2   0     6.2718     6.0000    -0.2718     4.0232     3.7007     0.3225
  3   0     6.2059     6.0000    -0.2059     3.9768     3.6608     0.3160
  4   0     6.2195     6.0000    -0.2195     3.9805     3.6544     0.3261
  5   0     0.8857     1.0000     0.1143     0.9756     0.9249     0.0507
  6   0     0.9128     1.0000     0.0872     0.9956     0.9407     0.0549
  7   0     0.9163     1.0000     0.0837     1.0000     0.9468     0.0532
  8   0     0.9117     1.0000     0.0883     1.0120     0.9595     0.0525
  9   0     0.8821     1.0000     0.1179     0.9706     0.9205     0.0501
 10   0     0.9035     1.0000     0.0965     0.9805     0.9258     0.0547
 11   0     0.8976     1.0000     0.1024     0.9745     0.9211     0.0534
 12   0     0.8800     1.0000     0.1200     0.9769     0.9274     0.0495
 13   0     0.9135     1.0000     0.0865     0.9935     0.9385     0.0550
 14   0     0.8841     1.0000     0.1159     0.9733     0.9215     0.0518
 15   0     6.2568     6.0000    -0.2568     4.0084     3.6773     0.3311
 16   0     6.2181     6.0000    -0.2181     3.9735     3.6435     0.3300
 17   0     6.2343     6.0000    -0.2343     3.9782     3.6610     0.3172
 18   0     6.2354     6.0000    -0.2354     3.9920     3.6717     0.3203
 19   0     6.1642     6.0000    -0.1642     3.9935     3.6840     0.3095
 20   0     0.8940     1.0000     0.1060     0.9752     0.9189     0.0563
 21   0     0.8714     1.0000     0.1286     0.9737     0.9228     0.0509
 22   0     0.8877     1.0000     0.1123     0.9857     0.9355     0.0502
 23   0     0.8844     1.0000     0.1156     0.9770     0.9249     0.0521
 24   0     0.8919     1.0000     0.1081     0.9783     0.9277     0.0506
 25   0     0.8988     1.0000     0.1012     0.9772     0.9238     0.0534
 26   0     0.8835     1.0000     0.1165     0.9761     0.9261     0.0500
 27   0     0.8939     1.0000     0.1061     0.9770     0.9228     0.0542
 28   0     0.8960     1.0000     0.1040     0.9850     0.9357     0.0493
 29   0     0.8841     1.0000     0.1159     0.9741     0.9240     0.0501
 30   0     6.1973     6.0000    -0.1973     3.9935     3.6829     0.3106
 31   0     6.2277     6.0000    -0.2277     3.9723     3.6506     0.3217
 32   0     6.2034     6.0000    -0.2034     3.9754     3.6521     0.3233
 33   0     6.2474     6.0000    -0.2474     4.0036     3.6880     0.3156
 34   0     6.1932     6.0000    -0.1932     3.9834     3.6761     0.3073
 35   0     0.8944     1.0000     0.1056     0.9786     0.9254     0.0532
 36   0     0.8937     1.0000     0.1063     0.9816     0.9328     0.0488
 37   0     0.8813     1.0000     0.1187     0.9790     0.9291     0.0499
 38   0     0.9009     1.0000     0.0991     0.9846     0.9344     0.0502
 39   0     0.8934     1.0000     0.1066     0.9860     0.9351     0.0509
 40   0     0.8961     1.0000     0.1039     0.9958     0.9445     0.0513
 41   0     0.8906     1.0000     0.1094     0.9759     0.9241     0.0518
 42   0     0.8875     1.0000     0.1125     0.9783     0.9284     0.0499
 43   0     0.8985     1.0000     0.1015     0.9833     0.9339     0.0494
 44   0     0.8958     1.0000     0.1042     0.9787     0.9273     0.0514
 45   0     6.2380     6.0000    -0.2380     3.9828     3.6620     0.3208
 46   0     6.2093     6.0000    -0.2093     3.9951     3.6794     0.3157
 47   0     6.2200     6.0000    -0.2200     4.0007     3.6992     0.3015
 48   0     6.1989     6.0000    -0.1989     3.9706     3.6592     0.3114
 49   0     6.2169     6.0000    -0.2169     3.9847     3.6647     0.3200
 50   0     0.8860     1.0000     0.1140     0.9721     0.9191     0.0530
 51   0     0.8938     1.0000     0.1062     0.9820     0.9307     0.0513
 52   0     0.8956     1.0000     0.1044     0.9782     0.9262     0.0520
 53   0     0.8812     1.0000     0.1188     0.9763     0.9255     0.0508
 54   0     0.8931     1.0000     0.1069     0.9695     0.9190     0.0505
 55   0     0.8861     1.0000     0.1139     0.9793     0.9299     0.0494
 56   0     0.8999     1.0000     0.1001     0.9757     0.9230     0.0527
 57   0     0.8823     1.0000     0.1177     0.9737     0.9252     0.0485
 58   0     0.8790     1.0000     0.1210     0.9719     0.9194     0.0525
 59   0     0.9182     1.0000     0.0818     0.9935     0.9407     0.0528
 60   0     6.2205     6.0000    -0.2205     3.9623     3.6371     0.3252
 61   0     6.2582     6.0000    -0.2582     3.9547     3.6320     0.3227
 62   0     6.2344     6.0000    -0.2344     3.9951     3.6660     0.3291
 63   0     6.1652     6.0000    -0.1652     3.9869     3.6782     0.3087
 64   0     6.2402     6.0000    -0.2402     3.9917     3.6751     0.3166
 65   0     0.8820     1.0000     0.1180     0.9746     0.9216     0.0530
 66   0     0.8892     1.0000     0.1108     0.9744     0.9234     0.0510
 67   0     0.8788     1.0000     0.1212     0.9689     0.9170     0.0519
 68   0     0.8813     1.0000     0.1187     0.9720     0.9216     0.0504
 69   0     0.8824     1.0000     0.1176     0.9749     0.9232     0.0517
 70   0     0.8877     1.0000     0.1123     0.9729     0.9172     0.0557
 71   0     0.8905     1.0000     0.1095     0.9807     0.9328     0.0479
 72   0     0.9046     1.0000     0.0954     0.9895     0.9368     0.0527
 73   0     0.8908     1.0000     0.1092     0.9758     0.9258     0.0500
 74   0     0.8852     1.0000     0.1148     0.9785     0.9279     0.0506
 75   0     6.2352     6.0000    -0.2352     4.0180     3.7062     0.3118
 76   0     6.1407     6.0000    -0.1407     3.9549     3.6402     0.3147
 77   0     6.2643     6.0000    -0.2643     4.0020     3.6770     0.3250
 78   0     6.2352     6.0000    -0.2352     4.0094     3.6912     0.3182
 79   0     6.2075     6.0000    -0.2075     3.9877     3.6744     0.3133
 80   0     0.8845     1.0000     0.1155     0.9737     0.9249     0.0488
 81   0     0.8938     1.0000     0.1062     0.9796     0.9292     0.0504
 82   0     0.9113     1.0000     0.0887     0.9979     0.9435     0.0544
 83   0     0.9016     1.0000     0.0984     0.9867     0.9391     0.0476
 84   0     0.8759     1.0000     0.1241     0.9775     0.9265     0.0510
 85   0     0.8935     1.0000     0.1065     0.9734     0.9187     0.0547
 86   0     0.8912     1.0000     0.1088     0.9776     0.9254     0.0522
 87   0     0.8896     1.0000     0.1104     0.9769     0.9263     0.0506
 88   0     0.8794     1.0000     0.1206     0.9730     0.9239     0.0491
 89   0     0.8992     1.0000     0.1008     0.9760     0.9230     0.0530
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.911459
                0             6               4            6                0.913877
                0             6               5            1                0.933758
                0             6               6            1                0.939223
                1             6               2            6                0.907235
                1             6               7            1                0.934338
                1             6               8            1                0.943879
                2             6               3            6                0.924887
                2             6               9            1                0.938550
                2             6              10            1                0.939322
                3             6               4            6                0.904406
                3             6              11            1                0.943219
                3             6              12            1                0.933794
                4             6              13            1                0.944981
                4             6              14            1                0.928778
               15             6              16            6                0.899279
               15             6              19            6                0.940989
               15             6              20            1                0.932727
               15             6              21            1                0.928369
               16             6              17            6                0.905403
               16             6              22            1                0.943087
               16             6              23            1                0.936646
               17             6              18            6                0.921425
               17             6              24            1                0.940999
               17             6              25            1                0.932532
               18             6              19            6                0.913163
               18             6              26            1                0.942543
               18             6              27            1                0.935719
               19             6              28            1                0.944717
               19             6              29            1                0.933986
               30             6              31            6                0.912973
               30             6              34            6                0.936602
               30             6              35            1                0.929668
               30             6              36            1                0.941396
               31             6              32            6                0.901664
               31             6              37            1                0.932384
               31             6              38            1                0.938558
               32             6              33            6                0.920644
               32             6              39            1                0.938503
               32             6              40            1                0.933636
               33             6              34            6                0.912346
               33             6              41            1                0.938113
               33             6              42            1                0.939085
               34             6              43            1                0.942997
               34             6              44            1                0.934522
               45             6              46            6                0.899688
               45             6              49            6                0.918471
               45             6              50            1                0.933136
               45             6              51            1                0.951966
               46             6              47            6                0.937418
               46             6              52            1                0.946433
               46             6              53            1                0.928935
               47             6              48            6                0.922121
               47             6              54            1                0.950207
               47             6              55            1                0.937702
               48             6              49            6                0.904237
               48             6              56            1                0.944347
               48             6              57            1                0.936551
               49             6              58            1                0.925553
               49             6              59            1                0.943809
               60             6              61            6                0.898722
               60             6              64            6                0.913233
               60             6              65            1                0.925733
               60             6              66            1                0.942950
               61             6              62            6                0.898062
               61             6              67            1                0.943971
               61             6              68            1                0.934429
               62             6              63            6                0.928607
               62             6              69            1                0.936025
               62             6              70            1                0.918255
               63             6              64            6                0.918624
               63             6              71            1                0.941157
               63             6              72            1                0.937121
               64             6              73            1                0.946795
               64             6              74            1                0.934959
               75             6              76            6                0.921764
               75             6              79            6                0.931861
               75             6              80            1                0.936926
               75             6              81            1                0.937150
               76             6              77            6                0.918610
               76             6              82            1                0.921912
               76             6              83            1                0.949302
               77             6              78            6                0.924170
               77             6              84            1                0.931939
               77             6              85            1                0.930399
               78             6              79            6                0.925528
               78             6              86            1                0.930662
               78             6              87            1                0.939583
               79             6              88            1                0.937172
               79             6              89            1                0.937984
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1849240866
        Correlation Energy:       -5.0712035406
        Total MP2 Energy:      -1176.2561276272
# -----------------------------------------------------------
$ 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) :        0.1971326266
        Electronic Contribution:
                  0    
      0      -0.195096
      1       0.745431
      2       0.056396
        Nuclear Contribution:
                  0    
      0       0.216902
      1      -0.819406
      2      -0.048200
        Total Dipole moment:
                  0    
      0       0.021806
      1      -0.073975
      2       0.008196
# -----------------------------------------------------------
$ 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) :        0.1966698499
        Electronic Contribution:
                  0    
      0      -0.194783
      1       0.745623
      2       0.055523
        Nuclear Contribution:
                  0    
      0       0.216902
      1      -0.819406
      2      -0.048200
        Total Dipole moment:
                  0    
      0       0.022118
      1      -0.073783
      2       0.007323
# -----------------------------------------------------------
$ 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) :        0.2380680245
        Electronic Contribution:
                  0    
      0      -0.191136
      1       0.729633
      2       0.041178
        Nuclear Contribution:
                  0    
      0       0.216902
      1      -0.819406
      2      -0.048200
        Total Dipole moment:
                  0    
      0       0.025766
      1      -0.089773
      2      -0.007022
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     21.450000000000   22.730000000000   17.330000000000
               1 C     22.270000000000   24.050000000000   17.490000000000
               2 C     21.960000000000   24.910000000000   16.240000000000
               3 C     20.800000000000   24.260000000000   15.470000000000
               4 C     20.400000000000   22.930000000000   16.170000000000
               5 H     20.930000000000   22.470000000000   18.250000000000
               6 H     22.040000000000   21.810000000000   17.160000000000
               7 H     23.350000000000   23.850000000000   17.490000000000
               8 H     22.010000000000   24.680000000000   18.310000000000
               9 H     22.810000000000   25.110000000000   15.600000000000
              10 H     21.700000000000   25.950000000000   16.590000000000
              11 H     21.180000000000   23.850000000000   14.520000000000
              12 H     19.920000000000   24.850000000000   15.250000000000
              13 H     20.470000000000   22.080000000000   15.460000000000
              14 H     19.320000000000   22.900000000000   16.430000000000
              15 C     25.330000000000   19.490000000000   16.190000000000
              16 C     24.160000000000   20.660000000000   16.090000000000
              17 C     23.150000000000   20.230000000000   15.010000000000
              18 C     23.720000000000   18.990000000000   14.390000000000
              19 C     24.840000000000   18.370000000000   15.320000000000
              20 H     25.330000000000   19.070000000000   17.270000000000
              21 H     26.370000000000   19.840000000000   16.020000000000
              22 H     24.560000000000   21.610000000000   15.790000000000
              23 H     23.670000000000   20.740000000000   17.080000000000
              24 H     23.050000000000   21.090000000000   14.360000000000
              25 H     22.140000000000   19.990000000000   15.410000000000
              26 H     24.090000000000   19.230000000000   13.410000000000
              27 H     22.940000000000   18.190000000000   14.200000000000
              28 H     25.630000000000   18.050000000000   14.700000000000
              29 H     24.460000000000   17.490000000000   15.850000000000
              30 C     20.690000000000   30.050000000000   17.950000000000
              31 C     20.870000000000   28.850000000000   18.800000000000
              32 C     22.490000000000   28.770000000000   18.810000000000
              33 C     23.120000000000   30.140000000000   18.510000000000
              34 C     21.920000000000   30.930000000000   18.090000000000
              35 H     19.790000000000   30.530000000000   18.420000000000
              36 H     20.520000000000   29.720000000000   16.950000000000
              37 H     20.440000000000   27.960000000000   18.340000000000
              38 H     20.490000000000   29.030000000000   19.800000000000
              39 H     22.730000000000   28.190000000000   17.940000000000
              40 H     22.870000000000   28.370000000000   19.740000000000
              41 H     23.840000000000   30.140000000000   17.660000000000
              42 H     23.630000000000   30.640000000000   19.330000000000
              43 H     22.070000000000   31.350000000000   17.130000000000
              44 H     21.720000000000   31.700000000000   18.850000000000
              45 C     20.940000000000   19.940000000000   11.780000000000
              46 C     19.920000000000   19.830000000000   10.580000000000
              47 C     18.620000000000   20.120000000000   11.230000000000
              48 C     18.730000000000   20.530000000000   12.630000000000
              49 C     20.220000000000   20.280000000000   13.060000000000
              50 H     21.770000000000   20.680000000000   11.590000000000
              51 H     21.370000000000   18.950000000000   11.830000000000
              52 H     20.150000000000   18.790000000000   10.320000000000
              53 H     20.100000000000   20.420000000000    9.660000000000
              54 H     18.040000000000   19.230000000000   11.240000000000
              55 H     17.960000000000   20.720000000000   10.650000000000
              56 H     18.050000000000   19.850000000000   13.170000000000
              57 H     18.350000000000   21.490000000000   12.880000000000
              58 H     20.310000000000   19.610000000000   13.980000000000
              59 H     20.590000000000   21.240000000000   13.340000000000
              60 C     23.850000000000   27.220000000000   22.420000000000
              61 C     23.650000000000   26.030000000000   21.480000000000
              62 C     22.100000000000   25.810000000000   21.280000000000
              63 C     21.380000000000   26.910000000000   22.100000000000
              64 C     22.400000000000   27.660000000000   22.920000000000
              65 H     24.440000000000   28.100000000000   22.010000000000
              66 H     24.410000000000   26.800000000000   23.260000000000
              67 H     24.190000000000   25.160000000000   21.910000000000
              68 H     24.180000000000   26.090000000000   20.560000000000
              69 H     21.850000000000   24.790000000000   21.660000000000
              70 H     21.820000000000   25.890000000000   20.150000000000
              71 H     20.670000000000   26.430000000000   22.710000000000
              72 H     20.890000000000   27.670000000000   21.490000000000
              73 H     22.390000000000   27.350000000000   23.940000000000
              74 H     22.280000000000   28.750000000000   22.940000000000
              75 C     27.770000000000   24.540000000000   19.390000000000
              76 C     26.310000000000   24.040000000000   19.690000000000
              77 C     26.060000000000   22.890000000000   18.680000000000
              78 C     26.910000000000   23.240000000000   17.460000000000
              79 C     27.860000000000   24.390000000000   17.920000000000
              80 H     28.510000000000   24.080000000000   20.010000000000
              81 H     27.890000000000   25.580000000000   19.610000000000
              82 H     25.510000000000   24.830000000000   19.580000000000
              83 H     26.330000000000   23.630000000000   20.630000000000
              84 H     25.020000000000   22.700000000000   18.430000000000
              85 H     26.410000000000   21.900000000000   19.160000000000
              86 H     26.340000000000   23.570000000000   16.570000000000
              87 H     27.460000000000   22.350000000000   17.160000000000
              88 H     27.790000000000   25.320000000000   17.380000000000
              89 H     28.910000000000   24.110000000000   17.770000000000
