-------------------------------------------------------------
----------------------- !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:    -1171.2118388940
# -----------------------------------------------------------
$ 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     6.2059     6.0000    -0.2059     3.8960     3.8960     0.0000
  1   0     6.0904     6.0000    -0.0904     3.8951     3.8951     0.0000
  2   0     6.1431     6.0000    -0.1431     3.9326     3.9326     0.0000
  3   0     6.1403     6.0000    -0.1403     3.9019     3.9019    -0.0000
  4   0     6.1484     6.0000    -0.1484     3.8346     3.8346    -0.0000
  5   0     0.9363     1.0000     0.0637     0.9779     0.9779     0.0000
  6   0     0.9194     1.0000     0.0806     0.9808     0.9808     0.0000
  7   0     0.8998     1.0000     0.1002     0.9741     0.9741     0.0000
  8   0     0.9394     1.0000     0.0606     0.9996     0.9996     0.0000
  9   0     0.9650     1.0000     0.0350     0.9960     0.9960     0.0000
 10   0     0.9099     1.0000     0.0901     0.9774     0.9774     0.0000
 11   0     0.9133     1.0000     0.0867     0.9761     0.9761     0.0000
 12   0     0.9183     1.0000     0.0817     0.9813     0.9813    -0.0000
 13   0     0.9274     1.0000     0.0726     0.9840     0.9840    -0.0000
 14   0     0.9561     1.0000     0.0439     0.9961     0.9961    -0.0000
 15   0     6.1592     6.0000    -0.1592     3.9087     3.9087    -0.0000
 16   0     6.1475     6.0000    -0.1475     3.8787     3.8787     0.0000
 17   0     6.1717     6.0000    -0.1717     3.9039     3.9039     0.0000
 18   0     6.1678     6.0000    -0.1678     3.8907     3.8907    -0.0000
 19   0     6.1573     6.0000    -0.1573     3.8631     3.8631     0.0000
 20   0     0.9199     1.0000     0.0801     0.9767     0.9767    -0.0000
 21   0     0.9179     1.0000     0.0821     0.9815     0.9815     0.0000
 22   0     0.9255     1.0000     0.0745     0.9802     0.9802    -0.0000
 23   0     0.9162     1.0000     0.0838     0.9771     0.9771    -0.0000
 24   0     0.9118     1.0000     0.0882     0.9796     0.9796     0.0000
 25   0     0.9140     1.0000     0.0860     0.9744     0.9744     0.0000
 26   0     0.9178     1.0000     0.0822     0.9776     0.9776     0.0000
 27   0     0.9219     1.0000     0.0781     0.9786     0.9786    -0.0000
 28   0     0.9180     1.0000     0.0820     0.9746     0.9746    -0.0000
 29   0     0.9296     1.0000     0.0704     0.9801     0.9801     0.0000
 30   0     6.1664     6.0000    -0.1664     3.8646     3.8646     0.0000
 31   0     6.1668     6.0000    -0.1668     3.8684     3.8684    -0.0000
 32   0     6.1955     6.0000    -0.1955     3.9148     3.9148     0.0000
 33   0     6.1370     6.0000    -0.1370     3.8834     3.8834    -0.0000
 34   0     6.2389     6.0000    -0.2389     3.8883     3.8883    -0.0000
 35   0     0.9098     1.0000     0.0902     0.9773     0.9773     0.0000
 36   0     0.9169     1.0000     0.0831     0.9738     0.9738     0.0000
 37   0     0.9139     1.0000     0.0861     0.9757     0.9757    -0.0000
 38   0     0.9137     1.0000     0.0863     0.9729     0.9729    -0.0000
 39   0     0.9102     1.0000     0.0898     0.9756     0.9756     0.0000
 40   0     0.9102     1.0000     0.0898     0.9723     0.9723     0.0000
 41   0     0.8913     1.0000     0.1087     0.9719     0.9719     0.0000
 42   0     0.9101     1.0000     0.0899     0.9755     0.9755     0.0000
 43   0     0.9051     1.0000     0.0949     0.9698     0.9698    -0.0000
 44   0     0.9006     1.0000     0.0994     0.9647     0.9647    -0.0000
 45   0     6.1239     6.0000    -0.1239     3.8865     3.8865     0.0000
 46   0     6.1922     6.0000    -0.1922     3.9166     3.9166    -0.0000
 47   0     6.1321     6.0000    -0.1321     3.8970     3.8970    -0.0000
 48   0     6.1963     6.0000    -0.1963     3.9023     3.9023     0.0000
 49   0     6.1501     6.0000    -0.1501     3.8751     3.8751     0.0000
 50   0     0.9256     1.0000     0.0744     0.9743     0.9743    -0.0000
 51   0     0.9278     1.0000     0.0722     0.9801     0.9801     0.0000
 52   0     0.9077     1.0000     0.0923     0.9746     0.9746    -0.0000
 53   0     0.9244     1.0000     0.0756     0.9766     0.9766    -0.0000
 54   0     0.9183     1.0000     0.0817     0.9801     0.9801     0.0000
 55   0     0.9134     1.0000     0.0866     0.9754     0.9754     0.0000
 56   0     0.9178     1.0000     0.0822     0.9768     0.9768     0.0000
 57   0     0.9156     1.0000     0.0844     0.9755     0.9755     0.0000
 58   0     0.9304     1.0000     0.0696     0.9753     0.9753     0.0000
 59   0     0.9233     1.0000     0.0767     0.9786     0.9786     0.0000
 60   0     6.1882     6.0000    -0.1882     3.8443     3.8443    -0.0000
 61   0     6.1784     6.0000    -0.1784     3.8885     3.8885     0.0000
 62   0     6.2022     6.0000    -0.2022     3.9433     3.9433     0.0000
 63   0     6.0618     6.0000    -0.0618     3.8826     3.8826    -0.0000
 64   0     6.1402     6.0000    -0.1402     3.9109     3.9109     0.0000
 65   0     0.9439     1.0000     0.0561     0.9907     0.9907    -0.0000
 66   0     0.9118     1.0000     0.0882     0.9715     0.9715     0.0000
 67   0     0.9147     1.0000     0.0853     0.9725     0.9725     0.0000
 68   0     0.9103     1.0000     0.0897     0.9729     0.9729     0.0000
 69   0     0.9087     1.0000     0.0913     0.9698     0.9698     0.0000
 70   0     0.9307     1.0000     0.0693     0.9871     0.9871     0.0000
 71   0     0.9198     1.0000     0.0802     0.9804     0.9804    -0.0000
 72   0     0.9522     1.0000     0.0478     0.9957     0.9957    -0.0000
 73   0     0.9062     1.0000     0.0938     0.9709     0.9709     0.0000
 74   0     0.9393     1.0000     0.0607     0.9855     0.9855     0.0000
 75   0     6.1786     6.0000    -0.1786     3.9062     3.9062     0.0000
 76   0     6.1284     6.0000    -0.1284     3.8999     3.8999    -0.0000
 77   0     6.1633     6.0000    -0.1633     3.8912     3.8912    -0.0000
 78   0     6.1387     6.0000    -0.1387     3.8694     3.8694    -0.0000
 79   0     6.1802     6.0000    -0.1802     3.9240     3.9240     0.0000
 80   0     0.9130     1.0000     0.0870     0.9759     0.9759     0.0000
 81   0     0.9208     1.0000     0.0792     0.9764     0.9764     0.0000
 82   0     0.9372     1.0000     0.0628     0.9863     0.9863    -0.0000
 83   0     0.9010     1.0000     0.0990     0.9695     0.9695    -0.0000
 84   0     0.9123     1.0000     0.0877     0.9795     0.9795    -0.0000
 85   0     0.9315     1.0000     0.0685     0.9732     0.9732    -0.0000
 86   0     0.9444     1.0000     0.0556     0.9750     0.9750     0.0000
 87   0     0.9100     1.0000     0.0900     0.9760     0.9760     0.0000
 88   0     0.9184     1.0000     0.0816     0.9710     0.9710     0.0000
 89   0     0.9193     1.0000     0.0807     0.9832     0.9832     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                0.964202
                0             6               4            6                0.949361
                0             6               5            1                1.010936
                0             6               6            1                0.992377
                1             6               2            6                0.974187
                1             6               7            1                0.985165
                1             6               8            1                1.002206
                2             6               3            6                0.972906
                2             6               9            1                1.010144
                2             6              10            1                0.997121
                3             6               4            6                0.967063
                3             6              11            1                0.995097
                3             6              12            1                0.993549
                4             6              13            1                1.001329
                4             6              14            1                0.990879
               15             6              16            6                0.973354
               15             6              19            6                0.967520
               15             6              20            1                0.988311
               15             6              21            1                0.992209
               16             6              17            6                0.971474
               16             6              22            1                0.993545
               16             6              23            1                0.983552
               17             6              18            6                0.978615
               17             6              24            1                0.988004
               17             6              25            1                0.986296
               18             6              19            6                0.955522
               18             6              26            1                0.989189
               18             6              27            1                0.994330
               19             6              28            1                0.987699
               19             6              29            1                1.002630
               30             6              31            6                0.956372
               30             6              34            6                0.967595
               30             6              35            1                0.994322
               30             6              36            1                0.989673
               31             6              32            6                0.973015
               31             6              37            1                0.996348
               31             6              38            1                0.990410
               32             6              33            6                0.986218
               32             6              39            1                0.988048
               32             6              40            1                0.992594
               33             6              34            6                0.955131
               33             6              41            1                0.986709
               33             6              42            1                0.992370
               34             6              43            1                1.003566
               34             6              44            1                0.984809
               45             6              46            6                0.973969
               45             6              49            6                0.970050
               45             6              50            1                0.991295
               45             6              51            1                0.997125
               46             6              47            6                0.972728
               46             6              52            1                0.989943
               46             6              53            1                0.994299
               47             6              48            6                0.976534
               47             6              54            1                0.994490
               47             6              55            1                0.991093
               48             6              49            6                0.966944
               48             6              56            1                0.992537
               48             6              57            1                0.988811
               49             6              58            1                0.993920
               49             6              59            1                0.985551
               60             6              61            6                0.962421
               60             6              64            6                0.938128
               60             6              65            1                1.002344
               60             6              66            1                0.987759
               61             6              62            6                0.993012
               61             6              67            1                0.985317
               61             6              68            1                0.989951
               62             6              63            6                0.957510
               62             6              69            1                0.990348
               62             6              70            1                1.003597
               63             6              64            6                0.994394
               63             6              71            1                0.991567
               63             6              72            1                0.991252
               64             6              73            1                0.987902
               64             6              74            1                1.001722
               75             6              76            6                0.978106
               75             6              79            6                0.975648
               75             6              80            1                0.990360
               75             6              81            1                0.994193
               76             6              77            6                0.965331
               76             6              82            1                0.993284
               76             6              83            1                0.979371
               77             6              78            6                0.967879
               77             6              84            1                0.989322
               77             6              85            1                0.990347
               78             6              79            6                0.973559
               78             6              86            1                0.987739
               78             6              87            1                0.989202
               79             6              88            1                0.987681
               79             6              89            1                0.995760
# -----------------------------------------------------------
$ 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     6.2129     6.0000    -0.2129     4.0097     3.6793     0.3304
  1   0     6.0982     6.0000    -0.0982     4.0000     3.6829     0.3171
  2   0     6.1510     6.0000    -0.1510     4.0401     3.7154     0.3247
  3   0     6.1486     6.0000    -0.1486     4.0122     3.6825     0.3297
  4   0     6.1552     6.0000    -0.1552     3.9471     3.6146     0.3325
  5   0     0.9324     1.0000     0.0676     0.9881     0.9317     0.0564
  6   0     0.9157     1.0000     0.0843     0.9908     0.9366     0.0542
  7   0     0.8957     1.0000     0.1043     0.9826     0.9343     0.0483
  8   0     0.9356     1.0000     0.0644     1.0098     0.9579     0.0519
  9   0     0.9617     1.0000     0.0383     1.0084     0.9510     0.0574
 10   0     0.9060     1.0000     0.0940     0.9862     0.9376     0.0486
 11   0     0.9091     1.0000     0.0909     0.9849     0.9342     0.0507
 12   0     0.9145     1.0000     0.0855     0.9908     0.9372     0.0536
 13   0     0.9233     1.0000     0.0767     0.9936     0.9402     0.0534
 14   0     0.9532     1.0000     0.0468     1.0093     0.9500     0.0593
 15   0     6.1671     6.0000    -0.1671     4.0166     3.7004     0.3162
 16   0     6.1553     6.0000    -0.1553     3.9884     3.6681     0.3203
 17   0     6.1791     6.0000    -0.1791     4.0131     3.6876     0.3255
 18   0     6.1756     6.0000    -0.1756     3.9994     3.6776     0.3218
 19   0     6.1651     6.0000    -0.1651     3.9720     3.6559     0.3161
 20   0     0.9160     1.0000     0.0840     0.9861     0.9354     0.0507
 21   0     0.9139     1.0000     0.0861     0.9908     0.9407     0.0501
 22   0     0.9215     1.0000     0.0785     0.9898     0.9378     0.0520
 23   0     0.9122     1.0000     0.0878     0.9864     0.9344     0.0520
 24   0     0.9079     1.0000     0.0921     0.9887     0.9363     0.0524
 25   0     0.9102     1.0000     0.0898     0.9838     0.9287     0.0551
 26   0     0.9140     1.0000     0.0860     0.9870     0.9356     0.0514
 27   0     0.9180     1.0000     0.0820     0.9881     0.9361     0.0520
 28   0     0.9142     1.0000     0.0858     0.9842     0.9318     0.0524
 29   0     0.9257     1.0000     0.0743     0.9899     0.9397     0.0502
 30   0     6.1744     6.0000    -0.1744     3.9780     3.6555     0.3225
 31   0     6.1756     6.0000    -0.1756     3.9826     3.6529     0.3297
 32   0     6.2029     6.0000    -0.2029     4.0250     3.6987     0.3263
 33   0     6.1461     6.0000    -0.1461     3.9961     3.6699     0.3262
 34   0     6.2475     6.0000    -0.2475     4.0071     3.6776     0.3295
 35   0     0.9054     1.0000     0.0946     0.9860     0.9350     0.0510
 36   0     0.9128     1.0000     0.0872     0.9831     0.9321     0.0510
 37   0     0.9099     1.0000     0.0901     0.9849     0.9326     0.0523
 38   0     0.9096     1.0000     0.0904     0.9822     0.9309     0.0513
 39   0     0.9064     1.0000     0.0936     0.9849     0.9341     0.0508
 40   0     0.9062     1.0000     0.0938     0.9815     0.9293     0.0522
 41   0     0.8872     1.0000     0.1128     0.9800     0.9296     0.0504
 42   0     0.9060     1.0000     0.0940     0.9845     0.9328     0.0517
 43   0     0.9007     1.0000     0.0993     0.9781     0.9289     0.0492
 44   0     0.8961     1.0000     0.1039     0.9732     0.9217     0.0515
 45   0     6.1315     6.0000    -0.1315     3.9916     3.6831     0.3085
 46   0     6.1997     6.0000    -0.1997     4.0259     3.7072     0.3187
 47   0     6.1398     6.0000    -0.1398     4.0030     3.6872     0.3158
 48   0     6.2040     6.0000    -0.2040     4.0135     3.6898     0.3237
 49   0     6.1581     6.0000    -0.1581     3.9835     3.6666     0.3169
 50   0     0.9217     1.0000     0.0783     0.9841     0.9320     0.0521
 51   0     0.9238     1.0000     0.0762     0.9897     0.9395     0.0502
 52   0     0.9040     1.0000     0.0960     0.9837     0.9350     0.0487
 53   0     0.9206     1.0000     0.0794     0.9862     0.9324     0.0538
 54   0     0.9145     1.0000     0.0855     0.9894     0.9380     0.0514
 55   0     0.9096     1.0000     0.0904     0.9846     0.9335     0.0511
 56   0     0.9139     1.0000     0.0861     0.9862     0.9352     0.0510
 57   0     0.9118     1.0000     0.0882     0.9849     0.9318     0.0531
 58   0     0.9264     1.0000     0.0736     0.9852     0.9320     0.0532
 59   0     0.9194     1.0000     0.0806     0.9883     0.9355     0.0528
 60   0     6.1955     6.0000    -0.1955     3.9590     3.6247     0.3343
 61   0     6.1859     6.0000    -0.1859     3.9993     3.6716     0.3277
 62   0     6.2109     6.0000    -0.2109     4.0568     3.7275     0.3293
 63   0     6.0685     6.0000    -0.0685     3.9841     3.6693     0.3148
 64   0     6.1491     6.0000    -0.1491     4.0217     3.6917     0.3300
 65   0     0.9400     1.0000     0.0600     1.0017     0.9472     0.0545
 66   0     0.9077     1.0000     0.0923     0.9809     0.9287     0.0522
 67   0     0.9108     1.0000     0.0892     0.9818     0.9264     0.0554
 68   0     0.9064     1.0000     0.0936     0.9819     0.9298     0.0521
 69   0     0.9045     1.0000     0.0955     0.9787     0.9264     0.0523
 70   0     0.9267     1.0000     0.0733     0.9968     0.9429     0.0539
 71   0     0.9155     1.0000     0.0845     0.9896     0.9372     0.0524
 72   0     0.9488     1.0000     0.0512     1.0074     0.9512     0.0562
 73   0     0.9021     1.0000     0.0979     0.9797     0.9265     0.0532
 74   0     0.9357     1.0000     0.0643     0.9957     0.9410     0.0547
 75   0     6.1861     6.0000    -0.1861     4.0162     3.6921     0.3241
 76   0     6.1364     6.0000    -0.1364     4.0066     3.6857     0.3209
 77   0     6.1718     6.0000    -0.1718     4.0019     3.6803     0.3216
 78   0     6.1467     6.0000    -0.1467     3.9777     3.6584     0.3193
 79   0     6.1883     6.0000    -0.1883     4.0336     3.7133     0.3203
 80   0     0.9090     1.0000     0.0910     0.9853     0.9337     0.0516
 81   0     0.9170     1.0000     0.0830     0.9861     0.9337     0.0524
 82   0     0.9337     1.0000     0.0663     0.9966     0.9430     0.0536
 83   0     0.8969     1.0000     0.1031     0.9781     0.9260     0.0521
 84   0     0.9081     1.0000     0.0919     0.9884     0.9389     0.0495
 85   0     0.9273     1.0000     0.0727     0.9834     0.9291     0.0543
 86   0     0.9407     1.0000     0.0593     0.9859     0.9266     0.0593
 87   0     0.9058     1.0000     0.0942     0.9848     0.9341     0.0507
 88   0     0.9144     1.0000     0.0856     0.9804     0.9250     0.0554
 89   0     0.9152     1.0000     0.0848     0.9924     0.9444     0.0480
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.901663
                0             6               4            6                0.886934
                0             6               5            1                0.965113
                0             6               6            1                0.949760
                1             6               2            6                0.907776
                1             6               7            1                0.946440
                1             6               8            1                0.961449
                2             6               3            6                0.908186
                2             6               9            1                0.965980
                2             6              10            1                0.958170
                3             6               4            6                0.899587
                3             6              11            1                0.954267
                3             6              12            1                0.950384
                4             6              13            1                0.958189
                4             6              14            1                0.946060
               15             6              16            6                0.910069
               15             6              19            6                0.906372
               15             6              20            1                0.948382
               15             6              21            1                0.952638
               16             6              17            6                0.910050
               16             6              22            1                0.952352
               16             6              23            1                0.942524
               17             6              18            6                0.913654
               17             6              24            1                0.946268
               17             6              25            1                0.942217
               18             6              19            6                0.892681
               18             6              26            1                0.948614
               18             6              27            1                0.953087
               19             6              28            1                0.946348
               19             6              29            1                0.963174
               30             6              31            6                0.893328
               30             6              34            6                0.906612
               30             6              35            1                0.953253
               30             6              36            1                0.948979
               31             6              32            6                0.905835
               31             6              37            1                0.954540
               31             6              38            1                0.949581
               32             6              33            6                0.922557
               32             6              39            1                0.947930
               32             6              40            1                0.950704
               33             6              34            6                0.891177
               33             6              41            1                0.945782
               33             6              42            1                0.950668
               34             6              43            1                0.963225
               34             6              44            1                0.943147
               45             6              46            6                0.912236
               45             6              49            6                0.911764
               45             6              50            1                0.950278
               45             6              51            1                0.957819
               46             6              47            6                0.910509
               46             6              52            1                0.951722
               46             6              53            1                0.951279
               47             6              48            6                0.913648
               47             6              54            1                0.953762
               47             6              55            1                0.950366
               48             6              49            6                0.903619
               48             6              56            1                0.952105
               48             6              57            1                0.946398
               49             6              58            1                0.951768
               49             6              59            1                0.944063
               60             6              61            6                0.897245
               60             6              64            6                0.870804
               60             6              65            1                0.959380
               60             6              66            1                0.946237
               61             6              62            6                0.929991
               61             6              67            1                0.940854
               61             6              68            1                0.948139
               62             6              63            6                0.894275
               62             6              69            1                0.948021
               62             6              70            1                0.960442
               63             6              64            6                0.933213
               63             6              71            1                0.949618
               63             6              72            1                0.947927
               64             6              73            1                0.944826
               64             6              74            1                0.958011
               75             6              76            6                0.915500
               75             6              79            6                0.909832
               75             6              80            1                0.949495
               75             6              81            1                0.952614
               76             6              77            6                0.902239
               76             6              82            1                0.951145
               76             6              83            1                0.937396
               77             6              78            6                0.905657
               77             6              84            1                0.950273
               77             6              85            1                0.947539
               78             6              79            6                0.914895
               78             6              86            1                0.941042
               78             6              87            1                0.949009
               79             6              88            1                0.943094
               79             6              89            1                0.958336
# -----------------------------------------------------------
$ 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     6.2541     6.0000    -0.2541     3.9867     3.6612     0.3255
  1   0     6.1610     6.0000    -0.1610     3.9961     3.6829     0.3132
  2   0     6.2106     6.0000    -0.2106     4.0189     3.6981     0.3208
  3   0     6.2024     6.0000    -0.2024     3.9875     3.6620     0.3255
  4   0     6.2140     6.0000    -0.2140     3.9403     3.6125     0.3278
  5   0     0.9012     1.0000     0.0988     0.9822     0.9274     0.0548
  6   0     0.8911     1.0000     0.1089     0.9875     0.9345     0.0530
  7   0     0.8746     1.0000     0.1254     0.9757     0.9284     0.0473
  8   0     0.9079     1.0000     0.0921     0.9992     0.9486     0.0506
  9   0     0.9281     1.0000     0.0719     0.9985     0.9426     0.0559
 10   0     0.8810     1.0000     0.1190     0.9782     0.9307     0.0475
 11   0     0.8868     1.0000     0.1132     0.9777     0.9280     0.0497
 12   0     0.8827     1.0000     0.1173     0.9834     0.9313     0.0521
 13   0     0.8955     1.0000     0.1045     0.9841     0.9320     0.0521
 14   0     0.9203     1.0000     0.0797     1.0018     0.9442     0.0576
 15   0     6.2155     6.0000    -0.2155     3.9948     3.6826     0.3122
 16   0     6.2116     6.0000    -0.2116     3.9816     3.6654     0.3162
 17   0     6.2175     6.0000    -0.2175     3.9961     3.6751     0.3210
 18   0     6.2235     6.0000    -0.2235     3.9819     3.6641     0.3178
 19   0     6.2166     6.0000    -0.2166     3.9532     3.6411     0.3121
 20   0     0.8924     1.0000     0.1076     0.9785     0.9287     0.0498
 21   0     0.8895     1.0000     0.1105     0.9845     0.9355     0.0490
 22   0     0.8955     1.0000     0.1045     0.9817     0.9308     0.0509
 23   0     0.8868     1.0000     0.1132     0.9774     0.9265     0.0509
 24   0     0.8845     1.0000     0.1155     0.9807     0.9293     0.0514
 25   0     0.8907     1.0000     0.1093     0.9773     0.9231     0.0542
 26   0     0.8912     1.0000     0.1088     0.9798     0.9293     0.0505
 27   0     0.8934     1.0000     0.1066     0.9799     0.9290     0.0509
 28   0     0.8895     1.0000     0.1105     0.9774     0.9261     0.0513
 29   0     0.8978     1.0000     0.1022     0.9808     0.9317     0.0491
 30   0     6.2201     6.0000    -0.2201     3.9495     3.6316     0.3179
 31   0     6.2264     6.0000    -0.2264     3.9643     3.6388     0.3255
 32   0     6.2428     6.0000    -0.2428     3.9963     3.6742     0.3221
 33   0     6.1971     6.0000    -0.1971     3.9905     3.6684     0.3221
 34   0     6.3082     6.0000    -0.3082     4.0093     3.6844     0.3249
 35   0     0.8813     1.0000     0.1187     0.9781     0.9282     0.0499
 36   0     0.8841     1.0000     0.1159     0.9798     0.9302     0.0496
 37   0     0.8839     1.0000     0.1161     0.9776     0.9266     0.0510
 38   0     0.8873     1.0000     0.1127     0.9743     0.9240     0.0503
 39   0     0.8819     1.0000     0.1181     0.9787     0.9291     0.0496
 40   0     0.8828     1.0000     0.1172     0.9727     0.9215     0.0512
 41   0     0.8661     1.0000     0.1339     0.9752     0.9258     0.0494
 42   0     0.8862     1.0000     0.1138     0.9764     0.9256     0.0508
 43   0     0.8680     1.0000     0.1320     0.9661     0.9183     0.0478
 44   0     0.8754     1.0000     0.1246     0.9672     0.9167     0.0505
 45   0     6.1875     6.0000    -0.1875     3.9773     3.6728     0.3045
 46   0     6.2478     6.0000    -0.2478     4.0068     3.6920     0.3148
 47   0     6.1925     6.0000    -0.1925     3.9938     3.6820     0.3118
 48   0     6.2483     6.0000    -0.2483     3.9965     3.6769     0.3196
 49   0     6.2066     6.0000    -0.2066     3.9648     3.6522     0.3126
 50   0     0.8964     1.0000     0.1036     0.9767     0.9257     0.0510
 51   0     0.8963     1.0000     0.1037     0.9809     0.9318     0.0491
 52   0     0.8809     1.0000     0.1191     0.9765     0.9288     0.0477
 53   0     0.8934     1.0000     0.1066     0.9760     0.9233     0.0527
 54   0     0.8912     1.0000     0.1088     0.9808     0.9304     0.0504
 55   0     0.8867     1.0000     0.1133     0.9768     0.9267     0.0501
 56   0     0.8889     1.0000     0.1111     0.9771     0.9272     0.0499
 57   0     0.8869     1.0000     0.1131     0.9769     0.9249     0.0520
 58   0     0.9005     1.0000     0.0995     0.9767     0.9245     0.0522
 59   0     0.8945     1.0000     0.1055     0.9815     0.9299     0.0516
 60   0     6.2487     6.0000    -0.2487     3.9484     3.6186     0.3298
 61   0     6.2268     6.0000    -0.2268     3.9753     3.6526     0.3227
 62   0     6.2565     6.0000    -0.2565     4.0292     3.7044     0.3248
 63   0     6.1374     6.0000    -0.1374     3.9834     3.6730     0.3104
 64   0     6.2029     6.0000    -0.2029     4.0050     3.6797     0.3253
 65   0     0.9049     1.0000     0.0951     0.9922     0.9394     0.0528
 66   0     0.8846     1.0000     0.1154     0.9752     0.9242     0.0510
 67   0     0.8876     1.0000     0.1124     0.9743     0.9200     0.0543
 68   0     0.8813     1.0000     0.1187     0.9779     0.9270     0.0509
 69   0     0.8809     1.0000     0.1191     0.9702     0.9189     0.0513
 70   0     0.8989     1.0000     0.1011     0.9887     0.9362     0.0525
 71   0     0.8929     1.0000     0.1071     0.9806     0.9293     0.0513
 72   0     0.9172     1.0000     0.0828     1.0062     0.9515     0.0547
 73   0     0.8821     1.0000     0.1179     0.9721     0.9198     0.0523
 74   0     0.9047     1.0000     0.0953     0.9957     0.9423     0.0534
 75   0     6.2340     6.0000    -0.2340     4.0003     3.6804     0.3199
 76   0     6.1858     6.0000    -0.1858     3.9909     3.6743     0.3166
 77   0     6.2184     6.0000    -0.2184     3.9756     3.6583     0.3173
 78   0     6.1970     6.0000    -0.1970     3.9660     3.6513     0.3147
 79   0     6.2345     6.0000    -0.2345     4.0125     3.6966     0.3159
 80   0     0.8866     1.0000     0.1134     0.9761     0.9255     0.0506
 81   0     0.8896     1.0000     0.1104     0.9810     0.9299     0.0511
 82   0     0.9073     1.0000     0.0927     0.9958     0.9435     0.0523
 83   0     0.8795     1.0000     0.1205     0.9725     0.9212     0.0513
 84   0     0.8830     1.0000     0.1170     0.9811     0.9328     0.0483
 85   0     0.9027     1.0000     0.0973     0.9751     0.9218     0.0533
 86   0     0.9131     1.0000     0.0869     0.9818     0.9239     0.0579
 87   0     0.8836     1.0000     0.1164     0.9776     0.9280     0.0496
 88   0     0.8891     1.0000     0.1109     0.9728     0.9186     0.0542
 89   0     0.8910     1.0000     0.1090     0.9832     0.9362     0.0470
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.910311
                0             6               4            6                0.901059
                0             6               5            1                0.946838
                0             6               6            1                0.930509
                1             6               2            6                0.917654
                1             6               7            1                0.935908
                1             6               8            1                0.947037
                2             6               3            6                0.913400
                2             6               9            1                0.947662
                2             6              10            1                0.947394
                3             6               4            6                0.904086
                3             6              11            1                0.940596
                3             6              12            1                0.932520
                4             6              13            1                0.943778
                4             6              14            1                0.932398
               15             6              16            6                0.917411
               15             6              19            6                0.911092
               15             6              20            1                0.935385
               15             6              21            1                0.941095
               16             6              17            6                0.924820
               16             6              22            1                0.939246
               16             6              23            1                0.929422
               17             6              18            6                0.921255
               17             6              24            1                0.934140
               17             6              25            1                0.925053
               18             6              19            6                0.900962
               18             6              26            1                0.935987
               18             6              27            1                0.940948
               19             6              28            1                0.934195
               19             6              29            1                0.952001
               30             6              31            6                0.902362
               30             6              34            6                0.909289
               30             6              35            1                0.937167
               30             6              36            1                0.937390
               31             6              32            6                0.907556
               31             6              37            1                0.939255
               31             6              38            1                0.936460
               32             6              33            6                0.931665
               32             6              39            1                0.935940
               32             6              40            1                0.936463
               33             6              34            6                0.905682
               33             6              41            1                0.932687
               33             6              42            1                0.934771
               34             6              43            1                0.949316
               34             6              44            1                0.928326
               45             6              46            6                0.920046
               45             6              49            6                0.922066
               45             6              50            1                0.938307
               45             6              51            1                0.944170
               46             6              47            6                0.920244
               46             6              52            1                0.940095
               46             6              53            1                0.935955
               47             6              48            6                0.924624
               47             6              54            1                0.939740
               47             6              55            1                0.938868
               48             6              49            6                0.909906
               48             6              56            1                0.940624
               48             6              57            1                0.932252
               49             6              58            1                0.939089
               49             6              59            1                0.929781
               60             6              61            6                0.902009
               60             6              64            6                0.880387
               60             6              65            1                0.949389
               60             6              66            1                0.930556
               61             6              62            6                0.934939
               61             6              67            1                0.923792
               61             6              68            1                0.937293
               62             6              63            6                0.906767
               62             6              69            1                0.933565
               62             6              70            1                0.941943
               63             6              64            6                0.944508
               63             6              71            1                0.932736
               63             6              72            1                0.935427
               64             6              73            1                0.926260
               64             6              74            1                0.944051
               75             6              76            6                0.926001
               75             6              79            6                0.916856
               75             6              80            1                0.934035
               75             6              81            1                0.940547
               76             6              77            6                0.908069
               76             6              82            1                0.939779
               76             6              83            1                0.922684
               77             6              78            6                0.916524
               77             6              84            1                0.938220
               77             6              85            1                0.932475
               78             6              79            6                0.925976
               78             6              86            1                0.922913
               78             6              87            1                0.936698
               79             6              88            1                0.925235
               79             6              89            1                0.946772
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2118388940
        Correlation Energy:       -5.0787327297
        Total MP2 Energy:      -1176.2905716237
# -----------------------------------------------------------
$ 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) :        0.2466166245
        Electronic Contribution:
                  0    
      0       0.834192
      1       0.095882
      2       0.681957
        Nuclear Contribution:
                  0    
      0      -0.795306
      1      -0.184768
      2      -0.682838
        Total Dipole moment:
                  0    
      0       0.038887
      1      -0.088886
      2      -0.000882
# -----------------------------------------------------------
$ 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) :        0.2468923934
        Electronic Contribution:
                  0    
      0       0.832603
      1       0.095102
      2       0.680901
        Nuclear Contribution:
                  0    
      0      -0.795306
      1      -0.184768
      2      -0.682838
        Total Dipole moment:
                  0    
      0       0.037298
      1      -0.089666
      2      -0.001937
# -----------------------------------------------------------
$ 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) :        0.2567522185
        Electronic Contribution:
                  0    
      0       0.812393
      1       0.089425
      2       0.654182
        Nuclear Contribution:
                  0    
      0      -0.795306
      1      -0.184768
      2      -0.682838
        Total Dipole moment:
                  0    
      0       0.017088
      1      -0.095343
      2      -0.028656
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     21.960000000000   23.220000000000   20.160000000000
               1 C     22.160000000000   22.280000000000   21.370000000000
               2 C     21.420000000000   20.940000000000   20.970000000000
               3 C     20.810000000000   21.030000000000   19.530000000000
               4 C     21.270000000000   22.460000000000   19.010000000000
               5 H     22.940000000000   23.550000000000   19.770000000000
               6 H     21.570000000000   24.240000000000   20.300000000000
               7 H     21.790000000000   22.750000000000   22.240000000000
               8 H     23.180000000000   21.970000000000   21.460000000000
               9 H     20.600000000000   20.730000000000   21.670000000000
              10 H     22.030000000000   20.110000000000   21.090000000000
              11 H     19.730000000000   21.090000000000   19.570000000000
              12 H     21.200000000000   20.220000000000   18.870000000000
              13 H     20.350000000000   22.960000000000   18.720000000000
              14 H     21.840000000000   22.380000000000   18.060000000000
              15 C     18.310000000000   19.990000000000   23.380000000000
              16 C     18.500000000000   21.480000000000   23.760000000000
              17 C     17.120000000000   22.120000000000   23.920000000000
              18 C     16.230000000000   21.300000000000   22.930000000000
              19 C     16.920000000000   19.940000000000   22.770000000000
              20 H     18.380000000000   19.390000000000   24.280000000000
              21 H     19.040000000000   19.680000000000   22.670000000000
              22 H     19.010000000000   22.010000000000   22.970000000000
              23 H     19.120000000000   21.600000000000   24.660000000000
              24 H     17.030000000000   23.160000000000   23.550000000000
              25 H     16.670000000000   21.990000000000   24.980000000000
              26 H     16.150000000000   21.750000000000   21.940000000000
              27 H     15.270000000000   21.020000000000   23.360000000000
              28 H     16.990000000000   19.580000000000   21.730000000000
              29 H     16.320000000000   19.270000000000   23.310000000000
              30 C     21.560000000000   20.130000000000   16.080000000000
              31 C     21.820000000000   19.610000000000   14.640000000000
              32 C     23.360000000000   19.250000000000   14.550000000000
              33 C     23.870000000000   19.130000000000   16.010000000000
              34 C     22.660000000000   19.540000000000   16.930000000000
              35 H     20.590000000000   19.770000000000   16.430000000000
              36 H     21.490000000000   21.190000000000   16.030000000000
              37 H     21.620000000000   20.310000000000   13.820000000000
              38 H     21.190000000000   18.740000000000   14.470000000000
              39 H     23.820000000000   20.000000000000   13.940000000000
              40 H     23.360000000000   18.320000000000   13.960000000000
              41 H     24.780000000000   19.710000000000   16.250000000000
              42 H     24.040000000000   18.050000000000   16.130000000000
              43 H     22.980000000000   20.220000000000   17.660000000000
              44 H     22.290000000000   18.680000000000   17.520000000000
              45 C     26.220000000000   21.340000000000   24.400000000000
              46 C     26.930000000000   22.550000000000   25.020000000000
              47 C     26.370000000000   23.780000000000   24.270000000000
              48 C     25.620000000000   23.250000000000   23.030000000000
              49 C     25.750000000000   21.700000000000   23.060000000000
              50 H     25.390000000000   21.000000000000   25.030000000000
              51 H     26.840000000000   20.510000000000   24.220000000000
              52 H     27.970000000000   22.430000000000   25.070000000000
              53 H     26.660000000000   22.540000000000   26.100000000000
              54 H     27.200000000000   24.420000000000   23.970000000000
              55 H     25.670000000000   24.340000000000   24.890000000000
              56 H     26.080000000000   23.680000000000   22.160000000000
              57 H     24.550000000000   23.570000000000   23.020000000000
              58 H     26.530000000000   21.390000000000   22.340000000000
              59 H     24.810000000000   21.220000000000   22.750000000000
              60 C     22.880000000000   24.770000000000   16.510000000000
              61 C     22.290000000000   24.250000000000   15.170000000000
              62 C     23.200000000000   23.090000000000   14.760000000000
              63 C     24.140000000000   22.720000000000   15.930000000000
              64 C     24.080000000000   23.810000000000   16.960000000000
              65 H     22.060000000000   24.680000000000   17.200000000000
              66 H     23.120000000000   25.830000000000   16.430000000000
              67 H     22.360000000000   25.040000000000   14.340000000000
              68 H     21.240000000000   24.020000000000   15.380000000000
              69 H     23.800000000000   23.310000000000   13.860000000000
              70 H     22.590000000000   22.280000000000   14.360000000000
              71 H     25.160000000000   22.790000000000   15.520000000000
              72 H     23.890000000000   21.740000000000   16.360000000000
              73 H     25.000000000000   24.460000000000   17.030000000000
              74 H     23.790000000000   23.610000000000   17.990000000000
              75 C     20.650000000000   27.150000000000   19.250000000000
              76 C     21.050000000000   27.640000000000   17.850000000000
              77 C     19.920000000000   27.110000000000   16.970000000000
              78 C     19.080000000000   26.070000000000   17.710000000000
              79 C     19.330000000000   26.280000000000   19.140000000000
              80 H     20.560000000000   28.020000000000   19.900000000000
              81 H     21.350000000000   26.500000000000   19.750000000000
              82 H     21.950000000000   27.110000000000   17.530000000000
              83 H     21.060000000000   28.760000000000   17.690000000000
              84 H     20.300000000000   26.800000000000   16.030000000000
              85 H     19.210000000000   27.950000000000   16.810000000000
              86 H     19.480000000000   25.040000000000   17.340000000000
              87 H     18.010000000000   26.090000000000   17.500000000000
              88 H     19.450000000000   25.290000000000   19.710000000000
              89 H     18.520000000000   26.770000000000   19.540000000000
