-------------------------------------------------------------
----------------------- !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:    -1171.1882697185
# -----------------------------------------------------------
$ 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     6.1811     6.0000    -0.1811     3.9235     3.9235    -0.0000
  1   0     6.0767     6.0000    -0.0767     3.8852     3.8852     0.0000
  2   0     6.1624     6.0000    -0.1624     3.9056     3.9056    -0.0000
  3   0     6.1927     6.0000    -0.1927     3.8863     3.8863    -0.0000
  4   0     6.1391     6.0000    -0.1391     3.8843     3.8843    -0.0000
  5   0     0.9218     1.0000     0.0782     0.9769     0.9769    -0.0000
  6   0     0.9158     1.0000     0.0842     0.9715     0.9715    -0.0000
  7   0     0.9157     1.0000     0.0843     0.9767     0.9767    -0.0000
  8   0     0.9784     1.0000     0.0216     1.0004     1.0004    -0.0000
  9   0     0.9191     1.0000     0.0809     0.9758     0.9758    -0.0000
 10   0     0.9283     1.0000     0.0717     0.9791     0.9791    -0.0000
 11   0     0.9154     1.0000     0.0846     0.9713     0.9713     0.0000
 12   0     0.9194     1.0000     0.0806     0.9741     0.9741    -0.0000
 13   0     0.9048     1.0000     0.0952     0.9780     0.9780    -0.0000
 14   0     0.9316     1.0000     0.0684     0.9774     0.9774    -0.0000
 15   0     6.1670     6.0000    -0.1670     3.8904     3.8904    -0.0000
 16   0     6.1416     6.0000    -0.1416     3.9016     3.9016    -0.0000
 17   0     6.2023     6.0000    -0.2023     3.8853     3.8853    -0.0000
 18   0     6.1420     6.0000    -0.1420     3.8671     3.8671     0.0000
 19   0     6.1754     6.0000    -0.1754     3.8973     3.8973     0.0000
 20   0     0.9259     1.0000     0.0741     0.9790     0.9790    -0.0000
 21   0     0.9068     1.0000     0.0932     0.9719     0.9719    -0.0000
 22   0     0.9136     1.0000     0.0864     0.9846     0.9846    -0.0000
 23   0     0.9123     1.0000     0.0877     0.9738     0.9738    -0.0000
 24   0     0.9030     1.0000     0.0970     0.9724     0.9724    -0.0000
 25   0     0.9204     1.0000     0.0796     0.9735     0.9735    -0.0000
 26   0     0.9533     1.0000     0.0467     1.0025     1.0025     0.0000
 27   0     0.9156     1.0000     0.0844     0.9732     0.9732     0.0000
 28   0     0.9064     1.0000     0.0936     0.9726     0.9726     0.0000
 29   0     0.9160     1.0000     0.0840     0.9721     0.9721     0.0000
 30   0     6.1192     6.0000    -0.1192     3.9010     3.9010     0.0000
 31   0     6.1978     6.0000    -0.1978     3.8828     3.8828    -0.0000
 32   0     6.1240     6.0000    -0.1240     3.8686     3.8686    -0.0000
 33   0     6.2026     6.0000    -0.2026     3.9203     3.9203    -0.0000
 34   0     6.1640     6.0000    -0.1640     3.8833     3.8833    -0.0000
 35   0     0.9054     1.0000     0.0946     0.9805     0.9805     0.0000
 36   0     0.9203     1.0000     0.0797     0.9796     0.9796     0.0000
 37   0     0.9227     1.0000     0.0773     0.9809     0.9809    -0.0000
 38   0     0.9208     1.0000     0.0792     0.9636     0.9636     0.0000
 39   0     0.9074     1.0000     0.0926     0.9774     0.9774    -0.0000
 40   0     0.9410     1.0000     0.0590     0.9827     0.9827    -0.0000
 41   0     0.9072     1.0000     0.0928     0.9717     0.9717    -0.0000
 42   0     0.9274     1.0000     0.0726     0.9799     0.9799     0.0000
 43   0     0.9065     1.0000     0.0935     0.9763     0.9763    -0.0000
 44   0     0.9280     1.0000     0.0720     0.9786     0.9786    -0.0000
 45   0     6.1606     6.0000    -0.1606     3.9296     3.9296     0.0000
 46   0     6.1624     6.0000    -0.1624     3.8895     3.8895     0.0000
 47   0     6.1494     6.0000    -0.1494     3.8590     3.8590     0.0000
 48   0     6.1200     6.0000    -0.1200     3.8094     3.8094     0.0000
 49   0     6.1568     6.0000    -0.1568     3.9183     3.9183     0.0000
 50   0     0.9200     1.0000     0.0800     0.9812     0.9812     0.0000
 51   0     0.9111     1.0000     0.0889     0.9768     0.9768     0.0000
 52   0     0.9207     1.0000     0.0793     0.9756     0.9756    -0.0000
 53   0     0.9205     1.0000     0.0795     0.9728     0.9728    -0.0000
 54   0     0.9070     1.0000     0.0930     0.9802     0.9802    -0.0000
 55   0     0.9258     1.0000     0.0742     0.9853     0.9853     0.0000
 56   0     0.9431     1.0000     0.0569     0.9848     0.9848     0.0000
 57   0     1.0000     1.0000     0.0000     1.0318     1.0318     0.0000
 58   0     0.9080     1.0000     0.0920     0.9751     0.9751    -0.0000
 59   0     0.9116     1.0000     0.0884     0.9741     0.9741     0.0000
 60   0     6.1394     6.0000    -0.1394     3.8826     3.8826    -0.0000
 61   0     6.1827     6.0000    -0.1827     3.8898     3.8898    -0.0000
 62   0     6.1907     6.0000    -0.1907     3.8844     3.8844    -0.0000
 63   0     6.1711     6.0000    -0.1711     3.7900     3.7900    -0.0000
 64   0     6.1739     6.0000    -0.1739     3.9154     3.9154    -0.0000
 65   0     0.9175     1.0000     0.0825     0.9783     0.9783    -0.0000
 66   0     0.9195     1.0000     0.0805     0.9734     0.9734    -0.0000
 67   0     0.9013     1.0000     0.0987     0.9731     0.9731    -0.0000
 68   0     0.9100     1.0000     0.0900     0.9762     0.9762    -0.0000
 69   0     0.8992     1.0000     0.1008     0.9697     0.9697    -0.0000
 70   0     0.9000     1.0000     0.1000     0.9735     0.9735    -0.0000
 71   0     0.9187     1.0000     0.0813     0.9733     0.9733    -0.0000
 72   0     0.9067     1.0000     0.0933     0.9657     0.9657     0.0000
 73   0     0.9247     1.0000     0.0753     0.9721     0.9721    -0.0000
 74   0     0.9273     1.0000     0.0727     0.9787     0.9787    -0.0000
 75   0     6.1782     6.0000    -0.1782     3.9129     3.9129    -0.0000
 76   0     6.1423     6.0000    -0.1423     3.9076     3.9076     0.0000
 77   0     6.1745     6.0000    -0.1745     3.8952     3.8952     0.0000
 78   0     6.1806     6.0000    -0.1806     3.9183     3.9183     0.0000
 79   0     6.0641     6.0000    -0.0641     3.8158     3.8158    -0.0000
 80   0     0.9281     1.0000     0.0719     0.9745     0.9745    -0.0000
 81   0     0.9243     1.0000     0.0757     0.9777     0.9777    -0.0000
 82   0     0.9105     1.0000     0.0895     0.9776     0.9776     0.0000
 83   0     0.9183     1.0000     0.0817     0.9775     0.9775     0.0000
 84   0     0.9151     1.0000     0.0849     0.9737     0.9737     0.0000
 85   0     0.9233     1.0000     0.0767     0.9783     0.9783     0.0000
 86   0     0.9304     1.0000     0.0696     0.9787     0.9787     0.0000
 87   0     0.9060     1.0000     0.0940     0.9724     0.9724     0.0000
 88   0     0.9491     1.0000     0.0509     0.9959     0.9959    -0.0000
 89   0     0.9576     1.0000     0.0424     0.9910     0.9910     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                0.973247
                0             6               4            6                0.979226
                0             6               5            1                0.998176
                0             6               6            1                0.987537
                1             6               2            6                0.981953
                1             6               7            1                0.980827
                1             6               8            1                0.998878
                2             6               3            6                0.972931
                2             6               9            1                0.985029
                2             6              10            1                0.988314
                3             6               4            6                0.964891
                3             6              11            1                0.991490
                3             6              12            1                1.000656
                4             6              13            1                0.983320
                4             6              14            1                0.995844
               15             6              16            6                0.978792
               15             6              19            6                0.968542
               15             6              20            1                1.005526
               15             6              21            1                0.979457
               16             6              17            6                0.964838
               16             6              22            1                0.989029
               16             6              23            1                0.992048
               17             6              18            6                0.957125
               17             6              24            1                0.987878
               17             6              25            1                0.997313
               18             6              19            6                0.970981
               18             6              26            1                0.995977
               18             6              27            1                0.991666
               19             6              28            1                0.985038
               19             6              29            1                0.996239
               30             6              31            6                0.974709
               30             6              34            6                0.980083
               30             6              35            1                0.984384
               30             6              36            1                0.988730
               31             6              32            6                0.950016
               31             6              37            1                0.998174
               31             6              38            1                0.990714
               32             6              33            6                0.976613
               32             6              39            1                0.992606
               32             6              40            1                0.999390
               33             6              34            6                0.967862
               33             6              41            1                0.986142
               33             6              42            1                1.004985
               34             6              43            1                0.985354
               34             6              44            1                0.999450
               45             6              46            6                0.975435
               45             6              49            6                0.996937
               45             6              50            1                0.992276
               45             6              51            1                0.986413
               46             6              47            6                0.966961
               46             6              52            1                0.995473
               46             6              53            1                0.993715
               47             6              48            6                0.944904
               47             6              54            1                0.986105
               47             6              55            1                0.990305
               48             6              49            6                0.944353
               48             6              56            1                0.997534
               48             6              57            1                1.000617
               49             6              58            1                0.986791
               49             6              59            1                0.997287
               60             6              61            6                0.972851
               60             6              64            6                0.981470
               60             6              65            1                0.988119
               60             6              66            1                0.993303
               61             6              62            6                0.976516
               61             6              67            1                0.991355
               61             6              68            1                0.991851
               62             6              63            6                0.940050
               62             6              69            1                0.986157
               62             6              70            1                0.992391
               63             6              64            6                0.946212
               63             6              71            1                0.997865
               63             6              72            1                0.993658
               64             6              73            1                0.996549
               64             6              74            1                1.003891
               75             6              76            6                0.964486
               75             6              79            6                0.959076
               75             6              80            1                1.005819
               75             6              81            1                0.995556
               76             6              77            6                0.981485
               76             6              82            1                0.988014
               76             6              83            1                0.998424
               77             6              78            6                0.978663
               77             6              84            1                0.990996
               77             6              85            1                0.993668
               78             6              79            6                0.957254
               78             6              86            1                0.997600
               78             6              87            1                0.988589
               79             6              88            1                0.987161
               79             6              89            1                1.001743
# -----------------------------------------------------------
$ 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     6.1892     6.0000    -0.1892     4.0332     3.7124     0.3208
  1   0     6.0837     6.0000    -0.0837     3.9882     3.6687     0.3195
  2   0     6.1706     6.0000    -0.1706     4.0159     3.6892     0.3267
  3   0     6.2012     6.0000    -0.2012     4.0003     3.6699     0.3304
  4   0     6.1473     6.0000    -0.1473     3.9932     3.6721     0.3211
  5   0     0.9178     1.0000     0.0822     0.9863     0.9346     0.0517
  6   0     0.9119     1.0000     0.0881     0.9810     0.9259     0.0551
  7   0     0.9111     1.0000     0.0889     0.9857     0.9323     0.0534
  8   0     0.9753     1.0000     0.0247     1.0135     0.9554     0.0581
  9   0     0.9150     1.0000     0.0850     0.9851     0.9310     0.0541
 10   0     0.9243     1.0000     0.0757     0.9887     0.9349     0.0538
 11   0     0.9113     1.0000     0.0887     0.9808     0.9269     0.0539
 12   0     0.9155     1.0000     0.0845     0.9837     0.9302     0.0535
 13   0     0.9007     1.0000     0.0993     0.9865     0.9359     0.0506
 14   0     0.9274     1.0000     0.0726     0.9868     0.9323     0.0545
 15   0     6.1749     6.0000    -0.1749     4.0005     3.6749     0.3256
 16   0     6.1493     6.0000    -0.1493     4.0096     3.6886     0.3210
 17   0     6.2095     6.0000    -0.2095     3.9984     3.6735     0.3249
 18   0     6.1491     6.0000    -0.1491     3.9760     3.6536     0.3224
 19   0     6.1834     6.0000    -0.1834     4.0078     3.6826     0.3252
 20   0     0.9220     1.0000     0.0780     0.9886     0.9363     0.0523
 21   0     0.9031     1.0000     0.0969     0.9812     0.9279     0.0533
 22   0     0.9098     1.0000     0.0902     0.9938     0.9441     0.0497
 23   0     0.9085     1.0000     0.0915     0.9830     0.9304     0.0526
 24   0     0.8993     1.0000     0.1007     0.9816     0.9316     0.0500
 25   0     0.9166     1.0000     0.0834     0.9831     0.9321     0.0510
 26   0     0.9498     1.0000     0.0502     1.0138     0.9580     0.0558
 27   0     0.9116     1.0000     0.0884     0.9824     0.9296     0.0528
 28   0     0.9027     1.0000     0.0973     0.9817     0.9268     0.0549
 29   0     0.9119     1.0000     0.0881     0.9812     0.9275     0.0537
 30   0     6.1268     6.0000    -0.1268     4.0078     3.6882     0.3196
 31   0     6.2063     6.0000    -0.2063     3.9982     3.6690     0.3292
 32   0     6.1318     6.0000    -0.1318     3.9790     3.6524     0.3266
 33   0     6.2116     6.0000    -0.2116     4.0345     3.7003     0.3342
 34   0     6.1710     6.0000    -0.1710     3.9926     3.6675     0.3251
 35   0     0.9014     1.0000     0.0986     0.9892     0.9395     0.0497
 36   0     0.9163     1.0000     0.0837     0.9891     0.9369     0.0522
 37   0     0.9185     1.0000     0.0815     0.9901     0.9389     0.0512
 38   0     0.9168     1.0000     0.0832     0.9736     0.9184     0.0552
 39   0     0.9033     1.0000     0.0967     0.9862     0.9364     0.0498
 40   0     0.9370     1.0000     0.0630     0.9931     0.9356     0.0575
 41   0     0.9034     1.0000     0.0966     0.9808     0.9263     0.0545
 42   0     0.9235     1.0000     0.0765     0.9894     0.9360     0.0534
 43   0     0.9027     1.0000     0.0973     0.9855     0.9337     0.0518
 44   0     0.9242     1.0000     0.0758     0.9887     0.9358     0.0529
 45   0     6.1680     6.0000    -0.1680     4.0364     3.7154     0.3210
 46   0     6.1706     6.0000    -0.1706     3.9999     3.6735     0.3264
 47   0     6.1571     6.0000    -0.1571     3.9715     3.6398     0.3317
 48   0     6.1271     6.0000    -0.1271     3.9232     3.5892     0.3340
 49   0     6.1643     6.0000    -0.1643     4.0261     3.7016     0.3245
 50   0     0.9161     1.0000     0.0839     0.9904     0.9392     0.0512
 51   0     0.9074     1.0000     0.0926     0.9860     0.9352     0.0508
 52   0     0.9168     1.0000     0.0832     0.9853     0.9317     0.0536
 53   0     0.9165     1.0000     0.0835     0.9825     0.9292     0.0533
 54   0     0.9032     1.0000     0.0968     0.9894     0.9358     0.0536
 55   0     0.9219     1.0000     0.0781     0.9950     0.9427     0.0523
 56   0     0.9390     1.0000     0.0610     0.9951     0.9380     0.0571
 57   0     0.9964     1.0000     0.0036     1.0456     0.9858     0.0598
 58   0     0.9042     1.0000     0.0958     0.9842     0.9308     0.0534
 59   0     0.9078     1.0000     0.0922     0.9834     0.9313     0.0521
 60   0     6.1469     6.0000    -0.1469     3.9890     3.6735     0.3155
 61   0     6.1906     6.0000    -0.1906     4.0016     3.6736     0.3280
 62   0     6.1984     6.0000    -0.1984     3.9970     3.6663     0.3307
 63   0     6.1792     6.0000    -0.1792     3.9060     3.5852     0.3208
 64   0     6.1826     6.0000    -0.1826     4.0248     3.7096     0.3152
 65   0     0.9136     1.0000     0.0864     0.9875     0.9365     0.0510
 66   0     0.9155     1.0000     0.0845     0.9827     0.9289     0.0538
 67   0     0.8972     1.0000     0.1028     0.9818     0.9315     0.0503
 68   0     0.9063     1.0000     0.0937     0.9854     0.9299     0.0555
 69   0     0.8952     1.0000     0.1048     0.9783     0.9256     0.0527
 70   0     0.8962     1.0000     0.1038     0.9822     0.9259     0.0563
 71   0     0.9141     1.0000     0.0859     0.9824     0.9319     0.0505
 72   0     0.9037     1.0000     0.0963     0.9769     0.9231     0.0538
 73   0     0.9206     1.0000     0.0794     0.9816     0.9298     0.0518
 74   0     0.9233     1.0000     0.0767     0.9883     0.9361     0.0522
 75   0     6.1867     6.0000    -0.1867     4.0233     3.7071     0.3162
 76   0     6.1504     6.0000    -0.1504     4.0156     3.6946     0.3210
 77   0     6.1821     6.0000    -0.1821     4.0054     3.6811     0.3243
 78   0     6.1883     6.0000    -0.1883     4.0275     3.7050     0.3225
 79   0     6.0708     6.0000    -0.0708     3.9196     3.6062     0.3134
 80   0     0.9241     1.0000     0.0759     0.9842     0.9312     0.0530
 81   0     0.9204     1.0000     0.0796     0.9874     0.9372     0.0502
 82   0     0.9068     1.0000     0.0932     0.9867     0.9345     0.0522
 83   0     0.9144     1.0000     0.0856     0.9868     0.9356     0.0512
 84   0     0.9113     1.0000     0.0887     0.9830     0.9317     0.0513
 85   0     0.9195     1.0000     0.0805     0.9880     0.9343     0.0537
 86   0     0.9265     1.0000     0.0735     0.9886     0.9354     0.0532
 87   0     0.9023     1.0000     0.0977     0.9815     0.9309     0.0506
 88   0     0.9451     1.0000     0.0549     1.0069     0.9549     0.0520
 89   0     0.9534     1.0000     0.0466     1.0022     0.9468     0.0554
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.910688
                0             6               4            6                0.919062
                0             6               5            1                0.957055
                0             6               6            1                0.943661
                1             6               2            6                0.919299
                1             6               7            1                0.937465
                1             6               8            1                0.954472
                2             6               3            6                0.908655
                2             6               9            1                0.941574
                2             6              10            1                0.945445
                3             6               4            6                0.901098
                3             6              11            1                0.948425
                3             6              12            1                0.957649
                4             6              13            1                0.942944
                4             6              14            1                0.951994
               15             6              16            6                0.913987
               15             6              19            6                0.905081
               15             6              20            1                0.963639
               15             6              21            1                0.937144
               16             6              17            6                0.901392
               16             6              22            1                0.949915
               16             6              23            1                0.949950
               17             6              18            6                0.892703
               17             6              24            1                0.948296
               17             6              25            1                0.956741
               18             6              19            6                0.910609
               18             6              26            1                0.952915
               18             6              27            1                0.949133
               19             6              28            1                0.940858
               19             6              29            1                0.952880
               30             6              31            6                0.912565
               30             6              34            6                0.914367
               30             6              35            1                0.944959
               30             6              36            1                0.947516
               31             6              32            6                0.887626
               31             6              37            1                0.956847
               31             6              38            1                0.946149
               32             6              33            6                0.911670
               32             6              39            1                0.952901
               32             6              40            1                0.953079
               33             6              34            6                0.902775
               33             6              41            1                0.942317
               33             6              42            1                0.962208
               34             6              43            1                0.944501
               34             6              44            1                0.957669
               45             6              46            6                0.912116
               45             6              49            6                0.930826
               45             6              50            1                0.951590
               45             6              51            1                0.946381
               46             6              47            6                0.901253
               46             6              52            1                0.952808
               46             6              53            1                0.951313
               47             6              48            6                0.879878
               47             6              54            1                0.943038
               47             6              55            1                0.948809
               48             6              49            6                0.882262
               48             6              56            1                0.951452
               48             6              57            1                0.955807
               49             6              58            1                0.944055
               49             6              59            1                0.955356
               60             6              61            6                0.909835
               60             6              64            6                0.921801
               60             6              65            1                0.947747
               60             6              66            1                0.950095
               61             6              62            6                0.911648
               61             6              67            1                0.951113
               61             6              68            1                0.946923
               62             6              63            6                0.879882
               62             6              69            1                0.943610
               62             6              70            1                0.946211
               63             6              64            6                0.886108
               63             6              71            1                0.957593
               63             6              72            1                0.951613
               64             6              73            1                0.955353
               64             6              74            1                0.962519
               75             6              76            6                0.903230
               75             6              79            6                0.900128
               75             6              80            1                0.963224
               75             6              81            1                0.956089
               76             6              77            6                0.915898
               76             6              82            1                0.946335
               76             6              83            1                0.957698
               77             6              78            6                0.916109
               77             6              84            1                0.950291
               77             6              85            1                0.951012
               78             6              79            6                0.892442
               78             6              86            1                0.955495
               78             6              87            1                0.948486
               79             6              88            1                0.947172
               79             6              89            1                0.957835
# -----------------------------------------------------------
$ 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     6.2308     6.0000    -0.2308     4.0032     3.6871     0.3161
  1   0     6.1470     6.0000    -0.1470     3.9869     3.6720     0.3149
  2   0     6.2114     6.0000    -0.2114     3.9983     3.6765     0.3218
  3   0     6.2463     6.0000    -0.2463     3.9698     3.6437     0.3261
  4   0     6.2046     6.0000    -0.2046     3.9823     3.6656     0.3167
  5   0     0.8900     1.0000     0.1100     0.9781     0.9277     0.0504
  6   0     0.8892     1.0000     0.1108     0.9740     0.9199     0.0541
  7   0     0.8852     1.0000     0.1148     0.9773     0.9253     0.0520
  8   0     0.9488     1.0000     0.0512     1.0111     0.9544     0.0567
  9   0     0.8933     1.0000     0.1067     0.9782     0.9252     0.0530
 10   0     0.9007     1.0000     0.0993     0.9863     0.9338     0.0525
 11   0     0.8878     1.0000     0.1122     0.9732     0.9203     0.0529
 12   0     0.8888     1.0000     0.1112     0.9760     0.9238     0.0522
 13   0     0.8807     1.0000     0.1193     0.9791     0.9295     0.0496
 14   0     0.8983     1.0000     0.1017     0.9798     0.9265     0.0533
 15   0     6.2260     6.0000    -0.2260     3.9769     3.6553     0.3216
 16   0     6.2022     6.0000    -0.2022     3.9940     3.6769     0.3171
 17   0     6.2586     6.0000    -0.2586     3.9852     3.6644     0.3208
 18   0     6.2103     6.0000    -0.2103     3.9661     3.6480     0.3181
 19   0     6.2251     6.0000    -0.2251     3.9873     3.6668     0.3205
 20   0     0.8943     1.0000     0.1057     0.9785     0.9273     0.0512
 21   0     0.8805     1.0000     0.1195     0.9754     0.9232     0.0522
 22   0     0.8853     1.0000     0.1147     0.9849     0.9362     0.0487
 23   0     0.8856     1.0000     0.1144     0.9760     0.9243     0.0517
 24   0     0.8750     1.0000     0.1250     0.9757     0.9268     0.0489
 25   0     0.8879     1.0000     0.1121     0.9725     0.9227     0.0498
 26   0     0.9152     1.0000     0.0848     1.0049     0.9507     0.0542
 27   0     0.8871     1.0000     0.1129     0.9739     0.9222     0.0517
 28   0     0.8800     1.0000     0.1200     0.9759     0.9221     0.0538
 29   0     0.8883     1.0000     0.1117     0.9744     0.9217     0.0527
 30   0     6.1711     6.0000    -0.1711     3.9932     3.6781     0.3151
 31   0     6.2649     6.0000    -0.2649     3.9997     3.6753     0.3244
 32   0     6.1911     6.0000    -0.1911     3.9714     3.6492     0.3222
 33   0     6.2527     6.0000    -0.2527     4.0068     3.6773     0.3295
 34   0     6.2177     6.0000    -0.2177     3.9730     3.6519     0.3211
 35   0     0.8808     1.0000     0.1192     0.9826     0.9339     0.0487
 36   0     0.8955     1.0000     0.1045     0.9812     0.9299     0.0513
 37   0     0.8822     1.0000     0.1178     0.9762     0.9265     0.0497
 38   0     0.8906     1.0000     0.1094     0.9680     0.9141     0.0539
 39   0     0.8829     1.0000     0.1171     0.9797     0.9310     0.0487
 40   0     0.9058     1.0000     0.0942     0.9844     0.9285     0.0559
 41   0     0.8827     1.0000     0.1173     0.9734     0.9198     0.0536
 42   0     0.8958     1.0000     0.1042     0.9824     0.9303     0.0521
 43   0     0.8807     1.0000     0.1193     0.9771     0.9263     0.0508
 44   0     0.8986     1.0000     0.1014     0.9802     0.9284     0.0518
 45   0     6.2193     6.0000    -0.2193     4.0163     3.6993     0.3170
 46   0     6.2144     6.0000    -0.2144     3.9753     3.6534     0.3219
 47   0     6.2177     6.0000    -0.2177     3.9607     3.6333     0.3274
 48   0     6.1907     6.0000    -0.1907     3.9227     3.5935     0.3292
 49   0     6.2065     6.0000    -0.2065     4.0096     3.6896     0.3200
 50   0     0.8908     1.0000     0.1092     0.9817     0.9316     0.0501
 51   0     0.8848     1.0000     0.1152     0.9790     0.9292     0.0498
 52   0     0.8921     1.0000     0.1079     0.9789     0.9264     0.0525
 53   0     0.8932     1.0000     0.1068     0.9768     0.9245     0.0523
 54   0     0.8739     1.0000     0.1261     0.9798     0.9276     0.0522
 55   0     0.8979     1.0000     0.1021     0.9909     0.9398     0.0511
 56   0     0.9098     1.0000     0.0902     0.9856     0.9301     0.0555
 57   0     0.9531     1.0000     0.0469     1.0328     0.9748     0.0580
 58   0     0.8832     1.0000     0.1168     0.9775     0.9251     0.0524
 59   0     0.8856     1.0000     0.1144     0.9769     0.9258     0.0511
 60   0     6.1977     6.0000    -0.1977     3.9755     3.6643     0.3112
 61   0     6.2388     6.0000    -0.2388     3.9983     3.6746     0.3237
 62   0     6.2362     6.0000    -0.2362     3.9871     3.6613     0.3258
 63   0     6.2547     6.0000    -0.2547     3.9132     3.5965     0.3167
 64   0     6.2232     6.0000    -0.2232     3.9814     3.6706     0.3108
 65   0     0.8893     1.0000     0.1107     0.9807     0.9307     0.0500
 66   0     0.8910     1.0000     0.1090     0.9749     0.9222     0.0527
 67   0     0.8766     1.0000     0.1234     0.9752     0.9259     0.0493
 68   0     0.8821     1.0000     0.1179     0.9771     0.9227     0.0544
 69   0     0.8768     1.0000     0.1232     0.9724     0.9206     0.0518
 70   0     0.8728     1.0000     0.1272     0.9750     0.9198     0.0552
 71   0     0.8886     1.0000     0.1114     0.9767     0.9276     0.0491
 72   0     0.8695     1.0000     0.1305     0.9683     0.9162     0.0521
 73   0     0.8953     1.0000     0.1047     0.9737     0.9229     0.0508
 74   0     0.8949     1.0000     0.1051     0.9828     0.9319     0.0509
 75   0     6.2413     6.0000    -0.2413     4.0076     3.6958     0.3118
 76   0     6.1979     6.0000    -0.1979     3.9949     3.6777     0.3172
 77   0     6.2307     6.0000    -0.2307     3.9893     3.6692     0.3201
 78   0     6.2360     6.0000    -0.2360     4.0037     3.6853     0.3184
 79   0     6.1337     6.0000    -0.1337     3.9144     3.6053     0.3091
 80   0     0.8942     1.0000     0.1058     0.9756     0.9239     0.0517
 81   0     0.8933     1.0000     0.1067     0.9830     0.9340     0.0490
 82   0     0.8849     1.0000     0.1151     0.9794     0.9281     0.0513
 83   0     0.8908     1.0000     0.1092     0.9787     0.9285     0.0502
 84   0     0.8874     1.0000     0.1126     0.9755     0.9252     0.0503
 85   0     0.8937     1.0000     0.1063     0.9785     0.9259     0.0526
 86   0     0.8977     1.0000     0.1023     0.9793     0.9273     0.0520
 87   0     0.8799     1.0000     0.1201     0.9757     0.9261     0.0496
 88   0     0.9230     1.0000     0.0770     1.0041     0.9533     0.0508
 89   0     0.9178     1.0000     0.0822     0.9886     0.9348     0.0538
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.921383
                0             6               4            6                0.928135
                0             6               5            1                0.943427
                0             6               6            1                0.925308
                1             6               2            6                0.931597
                1             6               7            1                0.921752
                1             6               8            1                0.943459
                2             6               3            6                0.914093
                2             6               9            1                0.927563
                2             6              10            1                0.932119
                3             6               4            6                0.907546
                3             6              11            1                0.931478
                3             6              12            1                0.943367
                4             6              13            1                0.928252
                4             6              14            1                0.937319
               15             6              16            6                0.919559
               15             6              19            6                0.910239
               15             6              20            1                0.951216
               15             6              21            1                0.924479
               16             6              17            6                0.909345
               16             6              22            1                0.938836
               16             6              23            1                0.937699
               17             6              18            6                0.898300
               17             6              24            1                0.937984
               17             6              25            1                0.943319
               18             6              19            6                0.925241
               18             6              26            1                0.939785
               18             6              27            1                0.934642
               19             6              28            1                0.925071
               19             6              29            1                0.940069
               30             6              31            6                0.925062
               30             6              34            6                0.921770
               30             6              35            1                0.933499
               30             6              36            1                0.930950
               31             6              32            6                0.901677
               31             6              37            1                0.941615
               31             6              38            1                0.928250
               32             6              33            6                0.918196
               32             6              39            1                0.937784
               32             6              40            1                0.938970
               33             6              34            6                0.909065
               33             6              41            1                0.924679
               33             6              42            1                0.947917
               34             6              43            1                0.930930
               34             6              44            1                0.943607
               45             6              46            6                0.921091
               45             6              49            6                0.933813
               45             6              50            1                0.940096
               45             6              51            1                0.934499
               46             6              47            6                0.907978
               46             6              52            1                0.938660
               46             6              53            1                0.938301
               47             6              48            6                0.888212
               47             6              54            1                0.929911
               47             6              55            1                0.937225
               48             6              49            6                0.900906
               48             6              56            1                0.933056
               48             6              57            1                0.941105
               49             6              58            1                0.929169
               49             6              59            1                0.941401
               60             6              61            6                0.925309
               60             6              64            6                0.924703
               60             6              65            1                0.936039
               60             6              66            1                0.934335
               61             6              62            6                0.922856
               61             6              67            1                0.937820
               61             6              68            1                0.930706
               62             6              63            6                0.896066
               62             6              69            1                0.928228
               62             6              70            1                0.929694
               63             6              64            6                0.890915
               63             6              71            1                0.942336
               63             6              72            1                0.939806
               64             6              73            1                0.938581
               64             6              74            1                0.947235
               75             6              76            6                0.910781
               75             6              79            6                0.912827
               75             6              80            1                0.949378
               75             6              81            1                0.942356
               76             6              77            6                0.922954
               76             6              82            1                0.932407
               76             6              83            1                0.943594
               77             6              78            6                0.924747
               77             6              84            1                0.938180
               77             6              85            1                0.936005
               78             6              79            6                0.899649
               78             6              86            1                0.941041
               78             6              87            1                0.936685
               79             6              88            1                0.934837
               79             6              89            1                0.947520
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1882697185
        Correlation Energy:       -5.0846438633
        Total MP2 Energy:      -1176.2729135818
# -----------------------------------------------------------
$ 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) :        0.2561102388
        Electronic Contribution:
                  0    
      0       0.928782
      1      -0.614608
      2      -0.045182
        Nuclear Contribution:
                  0    
      0      -1.012207
      1       0.570371
      2       0.080334
        Total Dipole moment:
                  0    
      0      -0.083426
      1      -0.044237
      2       0.035152
# -----------------------------------------------------------
$ 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) :        0.2620644124
        Electronic Contribution:
                  0    
      0       0.926668
      1      -0.615586
      2      -0.044715
        Nuclear Contribution:
                  0    
      0      -1.012207
      1       0.570371
      2       0.080334
        Total Dipole moment:
                  0    
      0      -0.085539
      1      -0.045215
      2       0.035619
# -----------------------------------------------------------
$ 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) :        0.2781906803
        Electronic Contribution:
                  0    
      0       0.914126
      1      -0.606015
      2      -0.047348
        Nuclear Contribution:
                  0    
      0      -1.012207
      1       0.570371
      2       0.080334
        Total Dipole moment:
                  0    
      0      -0.098081
      1      -0.035644
      2       0.032986
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     23.800000000000   14.210000000000   19.890000000000
               1 C     25.120000000000   14.970000000000   19.740000000000
               2 C     24.810000000000   16.330000000000   19.150000000000
               3 C     23.260000000000   16.400000000000   19.210000000000
               4 C     22.640000000000   15.150000000000   19.870000000000
               5 H     23.790000000000   13.680000000000   20.820000000000
               6 H     23.680000000000   13.400000000000   19.090000000000
               7 H     25.830000000000   14.400000000000   19.070000000000
               8 H     25.530000000000   15.170000000000   20.730000000000
               9 H     25.110000000000   16.360000000000   18.060000000000
              10 H     25.170000000000   17.210000000000   19.720000000000
              11 H     22.800000000000   16.540000000000   18.200000000000
              12 H     22.930000000000   17.290000000000   19.760000000000
              13 H     21.760000000000   14.810000000000   19.310000000000
              14 H     22.330000000000   15.420000000000   20.920000000000
              15 C     20.970000000000   17.030000000000   24.160000000000
              16 C     21.790000000000   16.120000000000   25.150000000000
              17 C     23.170000000000   15.870000000000   24.450000000000
              18 C     23.260000000000   16.940000000000   23.290000000000
              19 C     21.960000000000   17.680000000000   23.170000000000
              20 H     20.590000000000   17.860000000000   24.740000000000
              21 H     20.080000000000   16.520000000000   23.690000000000
              22 H     21.330000000000   15.180000000000   25.320000000000
              23 H     21.890000000000   16.700000000000   26.100000000000
              24 H     23.440000000000   14.890000000000   24.150000000000
              25 H     23.930000000000   16.040000000000   25.160000000000
              26 H     23.540000000000   16.490000000000   22.330000000000
              27 H     24.040000000000   17.690000000000   23.500000000000
              28 H     21.520000000000   17.660000000000   22.110000000000
              29 H     22.040000000000   18.750000000000   23.520000000000
              30 C     28.600000000000   15.900000000000   23.600000000000
              31 C     27.720000000000   15.330000000000   22.490000000000
              32 C     26.840000000000   14.200000000000   23.070000000000
              33 C     26.850000000000   14.300000000000   24.620000000000
              34 C     27.780000000000   15.530000000000   24.900000000000
              35 H     28.720000000000   16.960000000000   23.460000000000
              36 H     29.500000000000   15.270000000000   23.680000000000
              37 H     28.310000000000   14.930000000000   21.700000000000
              38 H     27.020000000000   16.060000000000   22.000000000000
              39 H     27.070000000000   13.190000000000   22.830000000000
              40 H     25.760000000000   14.430000000000   22.820000000000
              41 H     27.100000000000   13.340000000000   25.200000000000
              42 H     25.860000000000   14.540000000000   25.010000000000
              43 H     28.390000000000   15.410000000000   25.810000000000
              44 H     27.080000000000   16.330000000000   25.070000000000
              45 C     29.710000000000   10.580000000000   20.410000000000
              46 C     28.230000000000   10.740000000000   20.010000000000
              47 C     27.880000000000   12.200000000000   19.580000000000
              48 C     29.310000000000   12.850000000000   19.430000000000
              49 C     30.420000000000   11.910000000000   19.920000000000
              50 H     30.040000000000    9.710000000000   19.860000000000
              51 H     29.790000000000   10.420000000000   21.480000000000
              52 H     27.530000000000   10.570000000000   20.850000000000
              53 H     28.030000000000   10.080000000000   19.140000000000
              54 H     27.280000000000   12.630000000000   20.430000000000
              55 H     27.420000000000   12.190000000000   18.600000000000
              56 H     29.400000000000   13.800000000000   20.000000000000
              57 H     29.480000000000   13.330000000000   18.450000000000
              58 H     31.040000000000   12.310000000000   20.780000000000
              59 H     31.010000000000   11.730000000000   19.020000000000
              60 C     28.990000000000   12.980000000000   15.480000000000
              61 C     30.260000000000   13.830000000000   15.690000000000
              62 C     29.860000000000   15.150000000000   16.460000000000
              63 C     28.410000000000   14.900000000000   16.790000000000
              64 C     27.850000000000   13.770000000000   15.980000000000
              65 H     28.940000000000   12.020000000000   15.970000000000
              66 H     28.880000000000   12.830000000000   14.370000000000
              67 H     30.690000000000   13.970000000000   14.710000000000
              68 H     31.070000000000   13.290000000000   16.300000000000
              69 H     29.940000000000   16.100000000000   15.860000000000
              70 H     30.420000000000   15.350000000000   17.470000000000
              71 H     27.770000000000   15.720000000000   16.590000000000
              72 H     28.160000000000   14.680000000000   17.810000000000
              73 H     27.230000000000   14.210000000000   15.200000000000
              74 H     27.170000000000   13.120000000000   16.510000000000
              75 C     27.700000000000   18.580000000000   19.220000000000
              76 C     28.420000000000   19.920000000000   19.030000000000
              77 C     29.760000000000   19.750000000000   19.860000000000
              78 C     29.970000000000   18.260000000000   20.160000000000
              79 C     28.550000000000   17.650000000000   19.980000000000
              80 H     27.550000000000   18.070000000000   18.270000000000
              81 H     26.730000000000   18.650000000000   19.620000000000
              82 H     27.840000000000   20.820000000000   19.340000000000
              83 H     28.680000000000   20.060000000000   17.990000000000
              84 H     29.730000000000   20.350000000000   20.760000000000
              85 H     30.650000000000   20.120000000000   19.310000000000
              86 H     30.200000000000   18.160000000000   21.220000000000
              87 H     30.780000000000   17.790000000000   19.610000000000
              88 H     28.160000000000   17.350000000000   20.920000000000
              89 H     28.770000000000   16.820000000000   19.300000000000
