-------------------------------------------------------------
----------------------- !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:    -1171.1911480186
# -----------------------------------------------------------
$ 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     6.1513     6.0000    -0.1513     3.8917     3.8917     0.0000
  1   0     6.1045     6.0000    -0.1045     3.8097     3.8097     0.0000
  2   0     6.1915     6.0000    -0.1915     3.9461     3.9461     0.0000
  3   0     6.1331     6.0000    -0.1331     3.9068     3.9068    -0.0000
  4   0     6.1783     6.0000    -0.1783     3.9102     3.9102     0.0000
  5   0     0.9428     1.0000     0.0572     0.9809     0.9809     0.0000
  6   0     0.9034     1.0000     0.0966     0.9714     0.9714    -0.0000
  7   0     0.9512     1.0000     0.0488     0.9956     0.9956    -0.0000
  8   0     0.9438     1.0000     0.0562     0.9942     0.9942     0.0000
  9   0     0.9184     1.0000     0.0816     0.9783     0.9783     0.0000
 10   0     0.9140     1.0000     0.0860     0.9728     0.9728     0.0000
 11   0     0.9046     1.0000     0.0954     0.9732     0.9732     0.0000
 12   0     0.9285     1.0000     0.0715     0.9807     0.9807     0.0000
 13   0     0.9285     1.0000     0.0715     0.9817     0.9817     0.0000
 14   0     0.9125     1.0000     0.0875     0.9698     0.9698     0.0000
 15   0     6.1027     6.0000    -0.1027     3.8613     3.8613     0.0000
 16   0     6.1667     6.0000    -0.1667     3.9165     3.9165    -0.0000
 17   0     6.1853     6.0000    -0.1853     3.9183     3.9183     0.0000
 18   0     6.1291     6.0000    -0.1291     3.8654     3.8654     0.0000
 19   0     6.1856     6.0000    -0.1856     3.9515     3.9515    -0.0000
 20   0     0.9286     1.0000     0.0714     0.9769     0.9769     0.0000
 21   0     0.9312     1.0000     0.0688     0.9894     0.9894     0.0000
 22   0     0.9283     1.0000     0.0717     0.9763     0.9763    -0.0000
 23   0     0.9054     1.0000     0.0946     0.9751     0.9751    -0.0000
 24   0     0.9215     1.0000     0.0785     0.9780     0.9780    -0.0000
 25   0     0.9216     1.0000     0.0784     0.9780     0.9780     0.0000
 26   0     0.9106     1.0000     0.0894     0.9732     0.9732     0.0000
 27   0     0.9499     1.0000     0.0501     0.9950     0.9950     0.0000
 28   0     0.9208     1.0000     0.0792     0.9768     0.9768    -0.0000
 29   0     0.9109     1.0000     0.0891     0.9759     0.9759    -0.0000
 30   0     6.1864     6.0000    -0.1864     3.9076     3.9076    -0.0000
 31   0     6.1630     6.0000    -0.1630     3.8753     3.8753     0.0000
 32   0     6.1391     6.0000    -0.1391     3.9272     3.9272     0.0000
 33   0     6.1466     6.0000    -0.1466     3.8679     3.8679    -0.0000
 34   0     6.1627     6.0000    -0.1627     3.8937     3.8937     0.0000
 35   0     0.9033     1.0000     0.0967     0.9752     0.9752    -0.0000
 36   0     0.9281     1.0000     0.0719     0.9758     0.9758    -0.0000
 37   0     0.9185     1.0000     0.0815     0.9768     0.9768     0.0000
 38   0     0.9192     1.0000     0.0808     0.9755     0.9755     0.0000
 39   0     0.9109     1.0000     0.0891     0.9744     0.9744    -0.0000
 40   0     0.9250     1.0000     0.0750     0.9810     0.9810     0.0000
 41   0     0.9193     1.0000     0.0807     0.9778     0.9778    -0.0000
 42   0     0.9412     1.0000     0.0588     0.9795     0.9795     0.0000
 43   0     0.9151     1.0000     0.0849     0.9762     0.9762     0.0000
 44   0     0.9223     1.0000     0.0777     0.9768     0.9768     0.0000
 45   0     6.1994     6.0000    -0.1994     3.8689     3.8689     0.0000
 46   0     6.1826     6.0000    -0.1826     3.8754     3.8754    -0.0000
 47   0     6.1747     6.0000    -0.1747     3.8857     3.8857    -0.0000
 48   0     6.1593     6.0000    -0.1593     3.9057     3.9057     0.0000
 49   0     6.1379     6.0000    -0.1379     3.8861     3.8861     0.0000
 50   0     0.9229     1.0000     0.0771     0.9716     0.9716     0.0000
 51   0     0.9176     1.0000     0.0824     0.9770     0.9770    -0.0000
 52   0     0.9138     1.0000     0.0862     0.9769     0.9769    -0.0000
 53   0     0.9094     1.0000     0.0906     0.9751     0.9751    -0.0000
 54   0     0.9043     1.0000     0.0957     0.9727     0.9727    -0.0000
 55   0     0.9185     1.0000     0.0815     0.9756     0.9756    -0.0000
 56   0     0.9198     1.0000     0.0802     0.9810     0.9810    -0.0000
 57   0     0.9113     1.0000     0.0887     0.9737     0.9737     0.0000
 58   0     0.9043     1.0000     0.0957     0.9725     0.9725     0.0000
 59   0     0.9240     1.0000     0.0760     0.9785     0.9785    -0.0000
 60   0     6.1562     6.0000    -0.1562     3.8817     3.8817    -0.0000
 61   0     6.1857     6.0000    -0.1857     3.8799     3.8799    -0.0000
 62   0     6.1583     6.0000    -0.1583     3.8980     3.8980     0.0000
 63   0     6.1781     6.0000    -0.1781     3.9209     3.9209     0.0000
 64   0     6.1811     6.0000    -0.1811     3.8662     3.8662    -0.0000
 65   0     0.9063     1.0000     0.0937     0.9744     0.9744    -0.0000
 66   0     0.9180     1.0000     0.0820     0.9761     0.9761    -0.0000
 67   0     0.9210     1.0000     0.0790     0.9696     0.9696    -0.0000
 68   0     0.9069     1.0000     0.0931     0.9727     0.9727    -0.0000
 69   0     0.9165     1.0000     0.0835     0.9790     0.9790    -0.0000
 70   0     0.9050     1.0000     0.0950     0.9749     0.9749    -0.0000
 71   0     0.9096     1.0000     0.0904     0.9740     0.9740    -0.0000
 72   0     0.9200     1.0000     0.0800     0.9735     0.9735    -0.0000
 73   0     0.9105     1.0000     0.0895     0.9701     0.9701    -0.0000
 74   0     0.9245     1.0000     0.0755     0.9789     0.9789    -0.0000
 75   0     6.1422     6.0000    -0.1422     3.8952     3.8952     0.0000
 76   0     6.1789     6.0000    -0.1789     3.8895     3.8895    -0.0000
 77   0     6.2134     6.0000    -0.2134     3.8815     3.8815    -0.0000
 78   0     6.1462     6.0000    -0.1462     3.8856     3.8856    -0.0000
 79   0     6.1714     6.0000    -0.1714     3.8852     3.8852     0.0000
 80   0     0.9074     1.0000     0.0926     0.9725     0.9725     0.0000
 81   0     0.9178     1.0000     0.0822     0.9722     0.9722     0.0000
 82   0     0.9104     1.0000     0.0896     0.9757     0.9757    -0.0000
 83   0     0.9104     1.0000     0.0896     0.9733     0.9733    -0.0000
 84   0     0.9057     1.0000     0.0943     0.9717     0.9717    -0.0000
 85   0     0.9177     1.0000     0.0823     0.9739     0.9739    -0.0000
 86   0     0.9284     1.0000     0.0716     0.9746     0.9746     0.0000
 87   0     0.9084     1.0000     0.0916     0.9768     0.9768     0.0000
 88   0     0.9211     1.0000     0.0789     0.9717     0.9717     0.0000
 89   0     0.9179     1.0000     0.0821     0.9722     0.9722     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                0.946022
                0             6               4            6                0.975435
                0             6               5            1                1.006934
                0             6               6            1                0.984217
                1             6               2            6                0.962157
                1             6               7            1                0.990401
                1             6               8            1                0.992961
                2             6               3            6                0.988990
                2             6               9            1                0.988768
                2             6              10            1                0.992475
                3             6               4            6                0.973585
                3             6              11            1                0.986001
                3             6              12            1                0.994695
                4             6              13            1                0.995011
                4             6              14            1                0.991231
               15             6              16            6                0.955492
               15             6              19            6                0.984050
               15             6              20            1                0.980516
               15             6              21            1                0.996279
               16             6              17            6                0.992444
               16             6              22            1                1.001826
               16             6              23            1                0.980308
               17             6              18            6                0.964986
               17             6              24            1                0.988781
               17             6              25            1                0.980957
               18             6              19            6                0.973929
               18             6              26            1                0.985577
               18             6              27            1                1.001847
               19             6              28            1                0.995061
               19             6              29            1                0.979385
               30             6              31            6                0.955870
               30             6              34            6                0.986247
               30             6              35            1                0.989436
               30             6              36            1                1.001404
               31             6              32            6                0.981895
               31             6              37            1                1.001125
               31             6              38            1                0.998174
               32             6              33            6                0.988325
               32             6              39            1                0.987285
               32             6              40            1                0.990150
               33             6              34            6                0.960370
               33             6              41            1                0.995904
               33             6              42            1                0.982345
               34             6              43            1                1.000902
               34             6              44            1                0.980603
               45             6              46            6                0.968040
               45             6              49            6                0.954879
               45             6              50            1                0.998734
               45             6              51            1                0.992743
               46             6              47            6                0.958788
               46             6              52            1                0.984965
               46             6              53            1                0.994336
               47             6              48            6                0.974417
               47             6              54            1                0.988100
               47             6              55            1                1.000860
               48             6              49            6                0.979594
               48             6              56            1                0.991890
               48             6              57            1                0.989886
               49             6              58            1                0.985258
               49             6              59            1                1.000279
               60             6              61            6                0.962275
               60             6              64            6                0.972256
               60             6              65            1                0.980434
               60             6              66            1                0.994942
               61             6              62            6                0.962097
               61             6              67            1                1.008466
               61             6              68            1                0.986175
               62             6              63            6                0.989898
               62             6              69            1                0.997216
               62             6              70            1                0.982465
               63             6              64            6                0.960685
               63             6              71            1                0.992287
               63             6              72            1                0.996559
               64             6              73            1                0.982225
               64             6              74            1                0.992366
               75             6              76            6                0.978211
               75             6              79            6                0.965434
               75             6              80            1                0.984498
               75             6              81            1                0.993119
               76             6              77            6                0.955652
               76             6              82            1                0.991098
               76             6              83            1                0.992582
               77             6              78            6                0.971429
               77             6              84            1                0.995170
               77             6              85            1                0.992342
               78             6              79            6                0.967528
               78             6              86            1                0.993805
               78             6              87            1                0.986487
               79             6              88            1                1.002568
               79             6              89            1                0.991755
# -----------------------------------------------------------
$ 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     6.1594     6.0000    -0.1594     4.0001     3.6826     0.3175
  1   0     6.1122     6.0000    -0.1122     3.9182     3.5937     0.3245
  2   0     6.1990     6.0000    -0.1990     4.0536     3.7330     0.3206
  3   0     6.1409     6.0000    -0.1409     4.0123     3.6991     0.3132
  4   0     6.1858     6.0000    -0.1858     4.0178     3.6995     0.3183
  5   0     0.9389     1.0000     0.0611     0.9913     0.9393     0.0520
  6   0     0.8995     1.0000     0.1005     0.9803     0.9302     0.0501
  7   0     0.9474     1.0000     0.0526     1.0067     0.9486     0.0581
  8   0     0.9394     1.0000     0.0606     1.0041     0.9508     0.0533
  9   0     0.9145     1.0000     0.0855     0.9875     0.9346     0.0529
 10   0     0.9101     1.0000     0.0899     0.9821     0.9288     0.0533
 11   0     0.9008     1.0000     0.0992     0.9821     0.9323     0.0498
 12   0     0.9246     1.0000     0.0754     0.9902     0.9376     0.0526
 13   0     0.9247     1.0000     0.0753     0.9915     0.9385     0.0530
 14   0     0.9086     1.0000     0.0914     0.9790     0.9255     0.0535
 15   0     6.1116     6.0000    -0.1116     3.9717     3.6442     0.3275
 16   0     6.1751     6.0000    -0.1751     4.0281     3.6970     0.3311
 17   0     6.1931     6.0000    -0.1931     4.0291     3.7026     0.3265
 18   0     6.1359     6.0000    -0.1359     3.9727     3.6497     0.3230
 19   0     6.1935     6.0000    -0.1935     4.0617     3.7307     0.3310
 20   0     0.9246     1.0000     0.0754     0.9871     0.9333     0.0538
 21   0     0.9263     1.0000     0.0737     0.9980     0.9471     0.0509
 22   0     0.9242     1.0000     0.0758     0.9861     0.9309     0.0552
 23   0     0.9015     1.0000     0.0985     0.9842     0.9323     0.0519
 24   0     0.9174     1.0000     0.0826     0.9872     0.9354     0.0518
 25   0     0.9174     1.0000     0.0826     0.9873     0.9331     0.0542
 26   0     0.9064     1.0000     0.0936     0.9823     0.9299     0.0524
 27   0     0.9471     1.0000     0.0529     1.0073     0.9516     0.0557
 28   0     0.9167     1.0000     0.0833     0.9864     0.9316     0.0548
 29   0     0.9069     1.0000     0.0931     0.9851     0.9330     0.0521
 30   0     6.1946     6.0000    -0.1946     4.0184     3.6943     0.3241
 31   0     6.1710     6.0000    -0.1710     3.9861     3.6631     0.3230
 32   0     6.1466     6.0000    -0.1466     4.0331     3.7193     0.3138
 33   0     6.1544     6.0000    -0.1544     3.9785     3.6528     0.3257
 34   0     6.1710     6.0000    -0.1710     4.0070     3.6739     0.3331
 35   0     0.8996     1.0000     0.1004     0.9841     0.9331     0.0510
 36   0     0.9241     1.0000     0.0759     0.9854     0.9323     0.0531
 37   0     0.9143     1.0000     0.0857     0.9860     0.9355     0.0505
 38   0     0.9155     1.0000     0.0845     0.9853     0.9321     0.0532
 39   0     0.9067     1.0000     0.0933     0.9833     0.9336     0.0497
 40   0     0.9211     1.0000     0.0789     0.9906     0.9386     0.0520
 41   0     0.9150     1.0000     0.0850     0.9869     0.9354     0.0515
 42   0     0.9380     1.0000     0.0620     0.9912     0.9326     0.0586
 43   0     0.9106     1.0000     0.0894     0.9848     0.9320     0.0528
 44   0     0.9183     1.0000     0.0817     0.9866     0.9286     0.0580
 45   0     6.2069     6.0000    -0.2069     3.9816     3.6583     0.3233
 46   0     6.1896     6.0000    -0.1896     3.9865     3.6606     0.3259
 47   0     6.1826     6.0000    -0.1826     3.9971     3.6684     0.3287
 48   0     6.1666     6.0000    -0.1666     4.0132     3.6935     0.3197
 49   0     6.1458     6.0000    -0.1458     3.9941     3.6745     0.3196
 50   0     0.9190     1.0000     0.0810     0.9812     0.9276     0.0536
 51   0     0.9138     1.0000     0.0862     0.9866     0.9336     0.0530
 52   0     0.9101     1.0000     0.0899     0.9863     0.9325     0.0538
 53   0     0.9058     1.0000     0.0942     0.9844     0.9301     0.0543
 54   0     0.9006     1.0000     0.0994     0.9819     0.9286     0.0533
 55   0     0.9147     1.0000     0.0853     0.9851     0.9326     0.0525
 56   0     0.9161     1.0000     0.0839     0.9907     0.9391     0.0516
 57   0     0.9074     1.0000     0.0926     0.9829     0.9316     0.0513
 58   0     0.9007     1.0000     0.0993     0.9815     0.9295     0.0520
 59   0     0.9202     1.0000     0.0798     0.9879     0.9354     0.0525
 60   0     6.1637     6.0000    -0.1637     3.9923     3.6633     0.3290
 61   0     6.1932     6.0000    -0.1932     3.9914     3.6641     0.3273
 62   0     6.1657     6.0000    -0.1657     4.0068     3.6777     0.3291
 63   0     6.1860     6.0000    -0.1860     4.0316     3.7054     0.3262
 64   0     6.1886     6.0000    -0.1886     3.9805     3.6498     0.3307
 65   0     0.9025     1.0000     0.0975     0.9837     0.9283     0.0554
 66   0     0.9141     1.0000     0.0859     0.9856     0.9298     0.0558
 67   0     0.9172     1.0000     0.0828     0.9793     0.9251     0.0542
 68   0     0.9032     1.0000     0.0968     0.9820     0.9312     0.0508
 69   0     0.9128     1.0000     0.0872     0.9884     0.9352     0.0532
 70   0     0.9013     1.0000     0.0987     0.9839     0.9294     0.0545
 71   0     0.9058     1.0000     0.0942     0.9833     0.9318     0.0515
 72   0     0.9162     1.0000     0.0838     0.9832     0.9286     0.0546
 73   0     0.9068     1.0000     0.0932     0.9801     0.9269     0.0532
 74   0     0.9205     1.0000     0.0795     0.9889     0.9352     0.0537
 75   0     6.1500     6.0000    -0.1500     4.0029     3.6826     0.3203
 76   0     6.1863     6.0000    -0.1863     4.0014     3.6729     0.3285
 77   0     6.2216     6.0000    -0.2216     3.9988     3.6629     0.3359
 78   0     6.1535     6.0000    -0.1535     3.9938     3.6749     0.3189
 79   0     6.1799     6.0000    -0.1799     3.9961     3.6749     0.3212
 80   0     0.9034     1.0000     0.0966     0.9816     0.9298     0.0518
 81   0     0.9140     1.0000     0.0860     0.9818     0.9285     0.0533
 82   0     0.9068     1.0000     0.0932     0.9850     0.9320     0.0530
 83   0     0.9066     1.0000     0.0934     0.9826     0.9313     0.0513
 84   0     0.9019     1.0000     0.0981     0.9810     0.9282     0.0528
 85   0     0.9136     1.0000     0.0864     0.9833     0.9306     0.0527
 86   0     0.9247     1.0000     0.0753     0.9848     0.9315     0.0533
 87   0     0.9042     1.0000     0.0958     0.9855     0.9344     0.0511
 88   0     0.9171     1.0000     0.0829     0.9812     0.9275     0.0537
 89   0     0.9140     1.0000     0.0860     0.9819     0.9293     0.0526
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.882349
                0             6               4            6                0.913646
                0             6               5            1                0.966216
                0             6               6            1                0.944502
                1             6               2            6                0.900036
                1             6               7            1                0.944412
                1             6               8            1                0.950744
                2             6               3            6                0.927350
                2             6               9            1                0.946465
                2             6              10            1                0.949726
                3             6               4            6                0.912747
                3             6              11            1                0.946605
                3             6              12            1                0.952781
                4             6              13            1                0.953263
                4             6              14            1                0.948230
               15             6              16            6                0.889400
               15             6              19            6                0.920077
               15             6              20            1                0.938187
               15             6              21            1                0.955144
               16             6              17            6                0.927731
               16             6              22            1                0.957739
               16             6              23            1                0.939251
               17             6              18            6                0.902758
               17             6              24            1                0.947444
               17             6              25            1                0.937676
               18             6              19            6                0.907351
               18             6              26            1                0.943635
               18             6              27            1                0.959367
               19             6              28            1                0.951019
               19             6              29            1                0.938140
               30             6              31            6                0.890972
               30             6              34            6                0.924112
               30             6              35            1                0.948834
               30             6              36            1                0.958999
               31             6              32            6                0.919295
               31             6              37            1                0.960911
               31             6              38            1                0.955893
               32             6              33            6                0.927375
               32             6              39            1                0.947901
               32             6              40            1                0.949068
               33             6              34            6                0.895663
               33             6              41            1                0.954623
               33             6              42            1                0.936888
               34             6              43            1                0.957387
               34             6              44            1                0.933934
               45             6              46            6                0.907571
               45             6              49            6                0.892393
               45             6              50            1                0.955791
               45             6              51            1                0.950835
               46             6              47            6                0.894811
               46             6              52            1                0.942225
               46             6              53            1                0.950666
               47             6              48            6                0.908751
               47             6              54            1                0.945481
               47             6              55            1                0.958864
               48             6              49            6                0.917599
               48             6              56            1                0.951286
               48             6              57            1                0.949075
               49             6              58            1                0.943744
               49             6              59            1                0.958135
               60             6              61            6                0.900174
               60             6              64            6                0.908978
               60             6              65            1                0.936165
               60             6              66            1                0.949804
               61             6              62            6                0.895126
               61             6              67            1                0.964619
               61             6              68            1                0.946297
               62             6              63            6                0.926781
               62             6              69            1                0.954510
               62             6              70            1                0.938610
               63             6              64            6                0.896170
               63             6              71            1                0.951400
               63             6              72            1                0.952753
               64             6              73            1                0.940297
               64             6              74            1                0.949446
               75             6              76            6                0.915145
               75             6              79            6                0.903388
               75             6              80            1                0.943325
               75             6              81            1                0.950506
               76             6              77            6                0.888561
               76             6              82            1                0.948730
               76             6              83            1                0.951825
               77             6              78            6                0.907866
               77             6              84            1                0.952454
               77             6              85            1                0.950279
               78             6              79            6                0.906861
               78             6              86            1                0.951798
               78             6              87            1                0.945617
               79             6              88            1                0.959320
               79             6              89            1                0.950253
# -----------------------------------------------------------
$ 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     6.2147     6.0000    -0.2147     3.9690     3.6554     0.3136
  1   0     6.1815     6.0000    -0.1815     3.9142     3.5942     0.3200
  2   0     6.2378     6.0000    -0.2378     4.0246     3.7086     0.3160
  3   0     6.2013     6.0000    -0.2013     4.0012     3.6919     0.3093
  4   0     6.2284     6.0000    -0.2284     3.9896     3.6756     0.3140
  5   0     0.9082     1.0000     0.0918     0.9836     0.9329     0.0507
  6   0     0.8763     1.0000     0.1237     0.9745     0.9255     0.0490
  7   0     0.9164     1.0000     0.0836     0.9947     0.9380     0.0567
  8   0     0.9055     1.0000     0.0945     0.9953     0.9435     0.0518
  9   0     0.8895     1.0000     0.1105     0.9810     0.9293     0.0517
 10   0     0.8864     1.0000     0.1136     0.9765     0.9243     0.0522
 11   0     0.8779     1.0000     0.1221     0.9762     0.9274     0.0488
 12   0     0.8966     1.0000     0.1034     0.9795     0.9280     0.0515
 13   0     0.8985     1.0000     0.1015     0.9826     0.9307     0.0519
 14   0     0.8852     1.0000     0.1148     0.9732     0.9207     0.0525
 15   0     6.1871     6.0000    -0.1871     3.9688     3.6455     0.3233
 16   0     6.2153     6.0000    -0.2153     3.9972     3.6706     0.3266
 17   0     6.2328     6.0000    -0.2328     4.0083     3.6867     0.3216
 18   0     6.1920     6.0000    -0.1920     3.9651     3.6466     0.3185
 19   0     6.2317     6.0000    -0.2317     4.0268     3.7006     0.3262
 20   0     0.9038     1.0000     0.0962     0.9825     0.9299     0.0526
 21   0     0.8860     1.0000     0.1140     0.9826     0.9334     0.0492
 22   0     0.9015     1.0000     0.0985     0.9790     0.9249     0.0541
 23   0     0.8810     1.0000     0.1190     0.9780     0.9271     0.0509
 24   0     0.8925     1.0000     0.1075     0.9778     0.9271     0.0507
 25   0     0.8946     1.0000     0.1054     0.9835     0.9305     0.0530
 26   0     0.8844     1.0000     0.1156     0.9758     0.9245     0.0513
 27   0     0.9189     1.0000     0.0811     1.0025     0.9483     0.0542
 28   0     0.8952     1.0000     0.1048     0.9791     0.9253     0.0538
 29   0     0.8804     1.0000     0.1196     0.9832     0.9325     0.0507
 30   0     6.2462     6.0000    -0.2462     4.0002     3.6806     0.3196
 31   0     6.2192     6.0000    -0.2192     3.9640     3.6451     0.3189
 32   0     6.1972     6.0000    -0.1972     4.0106     3.7012     0.3094
 33   0     6.2087     6.0000    -0.2087     3.9676     3.6465     0.3211
 34   0     6.2112     6.0000    -0.2112     3.9877     3.6595     0.3282
 35   0     0.8761     1.0000     0.1239     0.9768     0.9268     0.0500
 36   0     0.8969     1.0000     0.1031     0.9755     0.9235     0.0520
 37   0     0.8900     1.0000     0.1100     0.9783     0.9289     0.0494
 38   0     0.8902     1.0000     0.1098     0.9793     0.9273     0.0520
 39   0     0.8846     1.0000     0.1154     0.9774     0.9287     0.0487
 40   0     0.8947     1.0000     0.1053     0.9841     0.9333     0.0508
 41   0     0.8893     1.0000     0.1107     0.9805     0.9304     0.0501
 42   0     0.9138     1.0000     0.0862     0.9902     0.9330     0.0572
 43   0     0.8878     1.0000     0.1122     0.9757     0.9241     0.0516
 44   0     0.8967     1.0000     0.1033     0.9829     0.9263     0.0566
 45   0     6.2559     6.0000    -0.2559     3.9721     3.6533     0.3188
 46   0     6.2378     6.0000    -0.2378     3.9850     3.6636     0.3214
 47   0     6.2300     6.0000    -0.2300     3.9859     3.6613     0.3246
 48   0     6.2199     6.0000    -0.2199     4.0011     3.6853     0.3158
 49   0     6.1949     6.0000    -0.1949     3.9766     3.6610     0.3156
 50   0     0.8923     1.0000     0.1077     0.9725     0.9200     0.0525
 51   0     0.8870     1.0000     0.1130     0.9777     0.9259     0.0518
 52   0     0.8878     1.0000     0.1122     0.9783     0.9255     0.0528
 53   0     0.8803     1.0000     0.1197     0.9760     0.9229     0.0531
 54   0     0.8782     1.0000     0.1218     0.9737     0.9215     0.0522
 55   0     0.8890     1.0000     0.1110     0.9752     0.9238     0.0514
 56   0     0.8908     1.0000     0.1092     0.9810     0.9304     0.0506
 57   0     0.8845     1.0000     0.1155     0.9756     0.9253     0.0503
 58   0     0.8793     1.0000     0.1207     0.9755     0.9244     0.0511
 59   0     0.8936     1.0000     0.1064     0.9788     0.9274     0.0514
 60   0     6.2026     6.0000    -0.2026     3.9804     3.6564     0.3240
 61   0     6.2484     6.0000    -0.2484     3.9821     3.6588     0.3233
 62   0     6.2071     6.0000    -0.2071     3.9945     3.6700     0.3245
 63   0     6.2330     6.0000    -0.2330     4.0218     3.6999     0.3219
 64   0     6.2382     6.0000    -0.2382     3.9826     3.6566     0.3260
 65   0     0.8805     1.0000     0.1195     0.9774     0.9231     0.0543
 66   0     0.8910     1.0000     0.1090     0.9771     0.9224     0.0547
 67   0     0.8897     1.0000     0.1103     0.9698     0.9168     0.0530
 68   0     0.8804     1.0000     0.1196     0.9746     0.9249     0.0497
 69   0     0.8911     1.0000     0.1089     0.9796     0.9273     0.0523
 70   0     0.8820     1.0000     0.1180     0.9773     0.9237     0.0536
 71   0     0.8829     1.0000     0.1171     0.9757     0.9252     0.0505
 72   0     0.8911     1.0000     0.1089     0.9742     0.9207     0.0535
 73   0     0.8831     1.0000     0.1169     0.9747     0.9229     0.0518
 74   0     0.8972     1.0000     0.1028     0.9786     0.9261     0.0525
 75   0     6.2003     6.0000    -0.2003     3.9897     3.6735     0.3162
 76   0     6.2323     6.0000    -0.2323     3.9877     3.6633     0.3244
 77   0     6.2654     6.0000    -0.2654     3.9860     3.6546     0.3314
 78   0     6.2063     6.0000    -0.2063     3.9822     3.6676     0.3146
 79   0     6.2281     6.0000    -0.2281     3.9756     3.6587     0.3169
 80   0     0.8833     1.0000     0.1167     0.9747     0.9238     0.0509
 81   0     0.8888     1.0000     0.1112     0.9756     0.9235     0.0521
 82   0     0.8828     1.0000     0.1172     0.9776     0.9257     0.0519
 83   0     0.8836     1.0000     0.1164     0.9735     0.9232     0.0503
 84   0     0.8751     1.0000     0.1249     0.9745     0.9231     0.0514
 85   0     0.8898     1.0000     0.1102     0.9746     0.9230     0.0516
 86   0     0.8993     1.0000     0.1007     0.9809     0.9288     0.0521
 87   0     0.8820     1.0000     0.1180     0.9791     0.9290     0.0501
 88   0     0.8896     1.0000     0.1104     0.9732     0.9207     0.0525
 89   0     0.8902     1.0000     0.1098     0.9743     0.9228     0.0515
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.885689
                0             6               4            6                0.917017
                0             6               5            1                0.955508
                0             6               6            1                0.932107
                1             6               2            6                0.910193
                1             6               7            1                0.927322
                1             6               8            1                0.944695
                2             6               3            6                0.933418
                2             6               9            1                0.934529
                2             6              10            1                0.935667
                3             6               4            6                0.922822
                3             6              11            1                0.934724
                3             6              12            1                0.938487
                4             6              13            1                0.937963
                4             6              14            1                0.935646
               15             6              16            6                0.900907
               15             6              19            6                0.924918
               15             6              20            1                0.922473
               15             6              21            1                0.944061
               16             6              17            6                0.930719
               16             6              22            1                0.937328
               16             6              23            1                0.928172
               17             6              18            6                0.914609
               17             6              24            1                0.933650
               17             6              25            1                0.924328
               18             6              19            6                0.913515
               18             6              26            1                0.930610
               18             6              27            1                0.946551
               19             6              28            1                0.932997
               19             6              29            1                0.926850
               30             6              31            6                0.897580
               30             6              34            6                0.931143
               30             6              35            1                0.935012
               30             6              36            1                0.943482
               31             6              32            6                0.925468
               31             6              37            1                0.947062
               31             6              38            1                0.940692
               32             6              33            6                0.931786
               32             6              39            1                0.935838
               32             6              40            1                0.934973
               33             6              34            6                0.907429
               33             6              41            1                0.942523
               33             6              42            1                0.921103
               34             6              43            1                0.940840
               34             6              44            1                0.919385
               45             6              46            6                0.921162
               45             6              49            6                0.900261
               45             6              50            1                0.943868
               45             6              51            1                0.936229
               46             6              47            6                0.908713
               46             6              52            1                0.928017
               46             6              53            1                0.936306
               47             6              48            6                0.915949
               47             6              54            1                0.930414
               47             6              55            1                0.946003
               48             6              49            6                0.927717
               48             6              56            1                0.938156
               48             6              57            1                0.937556
               49             6              58            1                0.930601
               49             6              59            1                0.944538
               60             6              61            6                0.913199
               60             6              64            6                0.923033
               60             6              65            1                0.919845
               60             6              66            1                0.935591
               61             6              62            6                0.902628
               61             6              67            1                0.950015
               61             6              68            1                0.932730
               62             6              63            6                0.941448
               62             6              69            1                0.938832
               62             6              70            1                0.926055
               63             6              64            6                0.907601
               63             6              71            1                0.937112
               63             6              72            1                0.937448
               64             6              73            1                0.924907
               64             6              74            1                0.934527
               75             6              76            6                0.924891
               75             6              79            6                0.913283
               75             6              80            1                0.929317
               75             6              81            1                0.938687
               76             6              77            6                0.896940
               76             6              82            1                0.935539
               76             6              83            1                0.937782
               77             6              78            6                0.915881
               77             6              84            1                0.939898
               77             6              85            1                0.936336
               78             6              79            6                0.916440
               78             6              86            1                0.940253
               78             6              87            1                0.933504
               79             6              88            1                0.945492
               79             6              89            1                0.934124
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1911480186
        Correlation Energy:       -5.0786806452
        Total MP2 Energy:      -1176.2698286638
# -----------------------------------------------------------
$ 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) :        0.3633176471
        Electronic Contribution:
                  0    
      0       0.167353
      1      -0.263463
      2      -0.245840
        Nuclear Contribution:
                  0    
      0      -0.232968
      1       0.136568
      2       0.241002
        Total Dipole moment:
                  0    
      0      -0.065615
      1      -0.126895
      2      -0.004839
# -----------------------------------------------------------
$ 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) :        0.3615073306
        Electronic Contribution:
                  0    
      0       0.168422
      1      -0.263226
      2      -0.245392
        Nuclear Contribution:
                  0    
      0      -0.232968
      1       0.136568
      2       0.241002
        Total Dipole moment:
                  0    
      0      -0.064547
      1      -0.126659
      2      -0.004390
# -----------------------------------------------------------
$ 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) :        0.2999434242
        Electronic Contribution:
                  0    
      0       0.182587
      1      -0.243259
      2      -0.242931
        Nuclear Contribution:
                  0    
      0      -0.232968
      1       0.136568
      2       0.241002
        Total Dipole moment:
                  0    
      0      -0.050382
      1      -0.106691
      2      -0.001929
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     19.760000000000   18.440000000000   17.930000000000
               1 C     19.850000000000   18.620000000000   16.420000000000
               2 C     20.470000000000   17.380000000000   15.810000000000
               3 C     20.850000000000   16.430000000000   16.940000000000
               4 C     20.270000000000   17.030000000000   18.200000000000
               5 H     18.720000000000   18.430000000000   18.070000000000
               6 H     20.140000000000   19.260000000000   18.530000000000
               7 H     20.550000000000   19.520000000000   16.360000000000
               8 H     18.830000000000   18.840000000000   16.090000000000
               9 H     21.360000000000   17.700000000000   15.230000000000
              10 H     19.660000000000   17.010000000000   15.140000000000
              11 H     21.890000000000   16.160000000000   17.020000000000
              12 H     20.340000000000   15.480000000000   16.780000000000
              13 H     21.070000000000   17.110000000000   18.940000000000
              14 H     19.440000000000   16.410000000000   18.650000000000
              15 C     21.310000000000   22.060000000000   15.270000000000
              16 C     21.470000000000   23.550000000000   15.760000000000
              17 C     20.300000000000   24.400000000000   15.190000000000
              18 C     19.780000000000   23.550000000000   14.050000000000
              19 C     20.590000000000   22.190000000000   13.920000000000
              20 H     20.730000000000   21.520000000000   16.040000000000
              21 H     22.280000000000   21.620000000000   15.060000000000
              22 H     22.430000000000   23.790000000000   15.230000000000
              23 H     21.550000000000   23.710000000000   16.850000000000
              24 H     20.740000000000   25.280000000000   14.730000000000
              25 H     19.530000000000   24.650000000000   15.990000000000
              26 H     19.780000000000   24.170000000000   13.130000000000
              27 H     18.790000000000   23.260000000000   14.300000000000
              28 H     21.400000000000   22.370000000000   13.150000000000
              29 H     19.980000000000   21.310000000000   13.690000000000
              30 C     15.770000000000   20.710000000000   16.680000000000
              31 C     15.550000000000   19.320000000000   16.030000000000
              32 C     15.830000000000   19.340000000000   14.520000000000
              33 C     16.570000000000   20.620000000000   14.300000000000
              34 C     16.310000000000   21.550000000000   15.540000000000
              35 H     16.330000000000   20.710000000000   17.620000000000
              36 H     14.760000000000   21.030000000000   16.950000000000
              37 H     14.540000000000   19.010000000000   16.190000000000
              38 H     16.180000000000   18.740000000000   16.700000000000
              39 H     14.900000000000   19.330000000000   13.970000000000
              40 H     16.460000000000   18.490000000000   14.310000000000
              41 H     16.170000000000   21.110000000000   13.430000000000
              42 H     17.680000000000   20.440000000000   14.140000000000
              43 H     15.470000000000   22.210000000000   15.250000000000
              44 H     17.290000000000   22.140000000000   15.810000000000
              45 C     25.160000000000   20.340000000000   14.520000000000
              46 C     24.380000000000   20.110000000000   13.240000000000
              47 C     25.310000000000   19.180000000000   12.380000000000
              48 C     26.740000000000   19.220000000000   13.050000000000
              49 C     26.660000000000   20.070000000000   14.330000000000
              50 H     24.800000000000   19.670000000000   15.320000000000
              51 H     25.040000000000   21.330000000000   14.980000000000
              52 H     24.120000000000   21.110000000000   12.790000000000
              53 H     23.430000000000   19.510000000000   13.310000000000
              54 H     25.390000000000   19.330000000000   11.270000000000
              55 H     24.960000000000   18.150000000000   12.430000000000
              56 H     27.380000000000   19.660000000000   12.300000000000
              57 H     27.110000000000   18.220000000000   13.290000000000
              58 H     27.210000000000   21.030000000000   14.450000000000
              59 H     26.900000000000   19.470000000000   15.210000000000
              60 C     17.980000000000   19.690000000000   10.960000000000
              61 C     18.110000000000   19.000000000000    9.590000000000
              62 C     19.110000000000   17.780000000000    9.800000000000
              63 C     19.270000000000   17.610000000000   11.330000000000
              64 C     18.400000000000   18.690000000000   12.070000000000
              65 H     16.970000000000   20.160000000000   11.240000000000
              66 H     18.750000000000   20.530000000000   10.870000000000
              67 H     18.550000000000   19.790000000000    8.940000000000
              68 H     17.250000000000   18.700000000000    9.020000000000
              69 H     20.000000000000   18.210000000000    9.310000000000
              70 H     18.700000000000   16.850000000000    9.250000000000
              71 H     20.320000000000   17.610000000000   11.610000000000
              72 H     18.890000000000   16.600000000000   11.650000000000
              73 H     18.890000000000   19.080000000000   12.970000000000
              74 H     17.550000000000   18.090000000000   12.430000000000
              75 C     17.420000000000   27.160000000000   15.390000000000
              76 C     16.880000000000   26.340000000000   14.190000000000
              77 C     16.240000000000   25.010000000000   14.870000000000
              78 C     16.420000000000   25.100000000000   16.410000000000
              79 C     16.950000000000   26.490000000000   16.680000000000
              80 H     17.140000000000   28.230000000000   15.290000000000
              81 H     18.520000000000   27.070000000000   15.440000000000
              82 H     17.610000000000   26.090000000000   13.400000000000
              83 H     16.150000000000   26.880000000000   13.600000000000
              84 H     16.650000000000   24.110000000000   14.400000000000
              85 H     15.170000000000   24.890000000000   14.680000000000
              86 H     17.210000000000   24.430000000000   16.740000000000
              87 H     15.460000000000   24.910000000000   16.920000000000
              88 H     17.830000000000   26.540000000000   17.360000000000
              89 H     16.190000000000   27.070000000000   17.220000000000
