-------------------------------------------------------------
----------------------- !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:    -1171.2033842646
# -----------------------------------------------------------
$ 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     6.1532     6.0000    -0.1532     3.8829     3.8829     0.0000
  1   0     6.1888     6.0000    -0.1888     3.8454     3.8454    -0.0000
  2   0     6.1564     6.0000    -0.1564     3.8752     3.8752    -0.0000
  3   0     6.1612     6.0000    -0.1612     3.8978     3.8978    -0.0000
  4   0     6.1446     6.0000    -0.1446     3.9125     3.9125    -0.0000
  5   0     0.9146     1.0000     0.0854     0.9779     0.9779    -0.0000
  6   0     0.9242     1.0000     0.0758     0.9798     0.9798    -0.0000
  7   0     0.9266     1.0000     0.0734     0.9772     0.9772    -0.0000
  8   0     0.9267     1.0000     0.0733     0.9757     0.9757     0.0000
  9   0     0.9220     1.0000     0.0780     0.9791     0.9791    -0.0000
 10   0     0.9131     1.0000     0.0869     0.9772     0.9772    -0.0000
 11   0     0.9209     1.0000     0.0791     0.9789     0.9789     0.0000
 12   0     0.9116     1.0000     0.0884     0.9757     0.9757     0.0000
 13   0     0.9130     1.0000     0.0870     0.9780     0.9780    -0.0000
 14   0     0.9224     1.0000     0.0776     0.9815     0.9815    -0.0000
 15   0     6.2230     6.0000    -0.2230     3.9035     3.9035    -0.0000
 16   0     6.1376     6.0000    -0.1376     3.8913     3.8913    -0.0000
 17   0     6.1717     6.0000    -0.1717     3.9166     3.9166    -0.0000
 18   0     6.1397     6.0000    -0.1397     3.8993     3.8993    -0.0000
 19   0     6.1400     6.0000    -0.1400     3.8615     3.8615    -0.0000
 20   0     0.9254     1.0000     0.0746     0.9753     0.9753    -0.0000
 21   0     0.9093     1.0000     0.0907     0.9753     0.9753    -0.0000
 22   0     0.9191     1.0000     0.0809     0.9774     0.9774     0.0000
 23   0     0.9064     1.0000     0.0936     0.9788     0.9788    -0.0000
 24   0     0.9164     1.0000     0.0836     0.9781     0.9781    -0.0000
 25   0     0.9137     1.0000     0.0863     0.9737     0.9737     0.0000
 26   0     0.9164     1.0000     0.0836     0.9796     0.9796    -0.0000
 27   0     0.9273     1.0000     0.0727     0.9924     0.9924    -0.0000
 28   0     0.9307     1.0000     0.0693     0.9773     0.9773    -0.0000
 29   0     0.9308     1.0000     0.0692     0.9880     0.9880    -0.0000
 30   0     6.1497     6.0000    -0.1497     3.8893     3.8893     0.0000
 31   0     6.1811     6.0000    -0.1811     3.8774     3.8774     0.0000
 32   0     6.1792     6.0000    -0.1792     3.8961     3.8961    -0.0000
 33   0     6.1432     6.0000    -0.1432     3.8905     3.8905     0.0000
 34   0     6.1596     6.0000    -0.1596     3.9044     3.9044     0.0000
 35   0     0.9114     1.0000     0.0886     0.9739     0.9739     0.0000
 36   0     0.9297     1.0000     0.0703     0.9822     0.9822    -0.0000
 37   0     0.9081     1.0000     0.0919     0.9691     0.9691     0.0000
 38   0     0.9282     1.0000     0.0718     0.9725     0.9725    -0.0000
 39   0     0.9179     1.0000     0.0821     0.9773     0.9773    -0.0000
 40   0     0.9139     1.0000     0.0861     0.9750     0.9750    -0.0000
 41   0     0.9298     1.0000     0.0702     0.9774     0.9774    -0.0000
 42   0     0.9126     1.0000     0.0874     0.9772     0.9772     0.0000
 43   0     0.9184     1.0000     0.0816     0.9826     0.9826     0.0000
 44   0     0.9174     1.0000     0.0826     0.9764     0.9764     0.0000
 45   0     6.2207     6.0000    -0.2207     3.8873     3.8873    -0.0000
 46   0     6.1441     6.0000    -0.1441     3.8808     3.8808    -0.0000
 47   0     6.1763     6.0000    -0.1763     3.8965     3.8965     0.0000
 48   0     6.1772     6.0000    -0.1772     3.8937     3.8937     0.0000
 49   0     6.1127     6.0000    -0.1127     3.8487     3.8487    -0.0000
 50   0     0.9148     1.0000     0.0852     0.9678     0.9678     0.0000
 51   0     0.9173     1.0000     0.0827     0.9729     0.9729    -0.0000
 52   0     0.9152     1.0000     0.0848     0.9776     0.9776    -0.0000
 53   0     0.9094     1.0000     0.0906     0.9733     0.9733    -0.0000
 54   0     0.9036     1.0000     0.0964     0.9738     0.9738     0.0000
 55   0     0.9232     1.0000     0.0768     0.9755     0.9755     0.0000
 56   0     0.9225     1.0000     0.0775     0.9757     0.9757    -0.0000
 57   0     0.9167     1.0000     0.0833     0.9707     0.9707     0.0000
 58   0     0.9037     1.0000     0.0963     0.9759     0.9759     0.0000
 59   0     0.9492     1.0000     0.0508     1.0049     1.0049    -0.0000
 60   0     6.1620     6.0000    -0.1620     3.9075     3.9075     0.0000
 61   0     6.1780     6.0000    -0.1780     3.9225     3.9225    -0.0000
 62   0     6.1374     6.0000    -0.1374     3.8631     3.8631    -0.0000
 63   0     6.1664     6.0000    -0.1664     3.9064     3.9064    -0.0000
 64   0     6.1633     6.0000    -0.1633     3.8981     3.8981    -0.0000
 65   0     0.9126     1.0000     0.0874     0.9741     0.9741     0.0000
 66   0     0.9091     1.0000     0.0909     0.9676     0.9676     0.0000
 67   0     0.9152     1.0000     0.0848     0.9753     0.9753     0.0000
 68   0     0.9151     1.0000     0.0849     0.9758     0.9758     0.0000
 69   0     0.9231     1.0000     0.0769     0.9807     0.9807    -0.0000
 70   0     0.9267     1.0000     0.0733     0.9752     0.9752    -0.0000
 71   0     0.9355     1.0000     0.0645     0.9609     0.9609     0.0000
 72   0     0.9081     1.0000     0.0919     0.9797     0.9797    -0.0000
 73   0     0.9243     1.0000     0.0757     0.9821     0.9821    -0.0000
 74   0     0.9157     1.0000     0.0843     0.9735     0.9735    -0.0000
 75   0     6.1657     6.0000    -0.1657     3.8892     3.8892    -0.0000
 76   0     6.1707     6.0000    -0.1707     3.8927     3.8927     0.0000
 77   0     6.1408     6.0000    -0.1408     3.8826     3.8826    -0.0000
 78   0     6.2067     6.0000    -0.2067     3.8784     3.8784    -0.0000
 79   0     6.1242     6.0000    -0.1242     3.8658     3.8658    -0.0000
 80   0     0.9286     1.0000     0.0714     0.9776     0.9776    -0.0000
 81   0     0.9104     1.0000     0.0896     0.9751     0.9751    -0.0000
 82   0     0.9122     1.0000     0.0878     0.9751     0.9751     0.0000
 83   0     0.9206     1.0000     0.0794     0.9743     0.9743     0.0000
 84   0     0.9199     1.0000     0.0801     0.9780     0.9780     0.0000
 85   0     0.9154     1.0000     0.0846     0.9776     0.9776     0.0000
 86   0     0.9188     1.0000     0.0812     0.9703     0.9703    -0.0000
 87   0     0.9048     1.0000     0.0952     0.9748     0.9748    -0.0000
 88   0     0.9278     1.0000     0.0722     0.9861     0.9861    -0.0000
 89   0     0.9277     1.0000     0.0723     0.9790     0.9790    -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                0.950555
                0             6               4            6                0.976698
                0             6               5            1                0.997192
                0             6               6            1                0.991935
                1             6               2            6                0.946712
                1             6               7            1                0.998220
                1             6               8            1                0.997304
                2             6               3            6                0.968031
                2             6               9            1                1.002566
                2             6              10            1                0.990585
                3             6               4            6                0.978043
                3             6              11            1                0.995561
                3             6              12            1                0.986916
                4             6              13            1                0.992086
                4             6              14            1                0.992670
               15             6              16            6                0.963027
               15             6              19            6                0.972832
               15             6              20            1                0.995326
               15             6              21            1                0.994041
               16             6              17            6                0.975596
               16             6              22            1                0.992991
               16             6              23            1                0.994122
               17             6              18            6                0.970165
               17             6              24            1                0.997491
               17             6              25            1                0.993501
               18             6              19            6                0.959603
               18             6              26            1                0.995952
               18             6              27            1                0.999905
               19             6              28            1                0.991445
               19             6              29            1                0.980085
               30             6              31            6                0.964001
               30             6              34            6                0.966743
               30             6              35            1                0.996943
               30             6              36            1                0.993757
               31             6              32            6                0.964765
               31             6              37            1                0.991045
               31             6              38            1                0.998385
               32             6              33            6                0.971893
               32             6              39            1                0.991363
               32             6              40            1                0.995126
               33             6              34            6                0.968450
               33             6              41            1                0.996454
               33             6              42            1                0.989318
               34             6              43            1                0.996287
               34             6              44            1                0.990874
               45             6              46            6                0.958940
               45             6              49            6                0.958292
               45             6              50            1                0.997159
               45             6              51            1                0.989452
               46             6              47            6                0.976174
               46             6              52            1                0.989103
               46             6              53            1                0.994826
               47             6              48            6                0.963681
               47             6              54            1                0.985236
               47             6              55            1                0.996946
               48             6              49            6                0.970608
               48             6              56            1                0.994645
               48             6              57            1                0.995623
               49             6              58            1                0.982010
               49             6              59            1                0.990668
               60             6              61            6                0.983498
               60             6              64            6                0.966285
               60             6              65            1                0.981662
               60             6              66            1                0.997868
               61             6              62            6                0.974090
               61             6              67            1                0.988286
               61             6              68            1                0.984760
               62             6              63            6                0.961494
               62             6              69            1                0.989801
               62             6              70            1                0.985898
               63             6              64            6                0.981414
               63             6              71            1                0.995281
               63             6              72            1                0.987440
               64             6              73            1                0.997416
               64             6              74            1                0.979760
               75             6              76            6                0.965734
               75             6              79            6                0.962459
               75             6              80            1                1.003643
               75             6              81            1                0.984270
               76             6              77            6                0.977133
               76             6              82            1                0.984866
               76             6              83            1                0.995591
               77             6              78            6                0.956520
               77             6              84            1                0.988827
               77             6              85            1                0.991685
               78             6              79            6                0.963547
               78             6              86            1                0.989281
               78             6              87            1                0.989419
               79             6              88            1                0.984851
               79             6              89            1                0.999562
# -----------------------------------------------------------
$ 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     6.1606     6.0000    -0.1606     3.9904     3.6697     0.3207
  1   0     6.1961     6.0000    -0.1961     3.9566     3.6367     0.3199
  2   0     6.1645     6.0000    -0.1645     3.9852     3.6642     0.3210
  3   0     6.1687     6.0000    -0.1687     4.0052     3.6840     0.3212
  4   0     6.1520     6.0000    -0.1520     4.0184     3.7087     0.3097
  5   0     0.9109     1.0000     0.0891     0.9874     0.9357     0.0517
  6   0     0.9204     1.0000     0.0796     0.9894     0.9356     0.0538
  7   0     0.9229     1.0000     0.0771     0.9871     0.9382     0.0489
  8   0     0.9229     1.0000     0.0771     0.9856     0.9314     0.0542
  9   0     0.9183     1.0000     0.0817     0.9888     0.9379     0.0509
 10   0     0.9094     1.0000     0.0906     0.9866     0.9345     0.0521
 11   0     0.9171     1.0000     0.0829     0.9883     0.9355     0.0528
 12   0     0.9079     1.0000     0.0921     0.9849     0.9329     0.0520
 13   0     0.9092     1.0000     0.0908     0.9872     0.9389     0.0483
 14   0     0.9186     1.0000     0.0814     0.9910     0.9404     0.0506
 15   0     6.2308     6.0000    -0.2308     4.0179     3.6787     0.3392
 16   0     6.1447     6.0000    -0.1447     3.9980     3.6840     0.3140
 17   0     6.1800     6.0000    -0.1800     4.0268     3.7048     0.3220
 18   0     6.1480     6.0000    -0.1480     4.0094     3.6840     0.3254
 19   0     6.1471     6.0000    -0.1471     3.9735     3.6378     0.3357
 20   0     0.9215     1.0000     0.0785     0.9852     0.9271     0.0581
 21   0     0.9059     1.0000     0.0941     0.9851     0.9330     0.0521
 22   0     0.9154     1.0000     0.0846     0.9871     0.9335     0.0536
 23   0     0.9024     1.0000     0.0976     0.9876     0.9406     0.0470
 24   0     0.9126     1.0000     0.0874     0.9874     0.9352     0.0522
 25   0     0.9097     1.0000     0.0903     0.9829     0.9305     0.0524
 26   0     0.9124     1.0000     0.0876     0.9888     0.9355     0.0533
 27   0     0.9231     1.0000     0.0769     1.0015     0.9488     0.0527
 28   0     0.9265     1.0000     0.0735     0.9871     0.9306     0.0565
 29   0     0.9269     1.0000     0.0731     0.9982     0.9444     0.0538
 30   0     6.1570     6.0000    -0.1570     3.9959     3.6840     0.3119
 31   0     6.1891     6.0000    -0.1891     3.9879     3.6689     0.3190
 32   0     6.1867     6.0000    -0.1867     4.0055     3.6852     0.3203
 33   0     6.1508     6.0000    -0.1508     3.9978     3.6824     0.3154
 34   0     6.1673     6.0000    -0.1673     4.0127     3.6954     0.3173
 35   0     0.9074     1.0000     0.0926     0.9828     0.9328     0.0500
 36   0     0.9260     1.0000     0.0740     0.9923     0.9388     0.0535
 37   0     0.9045     1.0000     0.0955     0.9784     0.9276     0.0508
 38   0     0.9242     1.0000     0.0758     0.9822     0.9282     0.0540
 39   0     0.9140     1.0000     0.0860     0.9867     0.9343     0.0524
 40   0     0.9101     1.0000     0.0899     0.9844     0.9336     0.0508
 41   0     0.9262     1.0000     0.0738     0.9877     0.9361     0.0516
 42   0     0.9086     1.0000     0.0914     0.9863     0.9368     0.0495
 43   0     0.9147     1.0000     0.0853     0.9921     0.9421     0.0500
 44   0     0.9135     1.0000     0.0865     0.9858     0.9334     0.0524
 45   0     6.2281     6.0000    -0.2281     4.0005     3.6682     0.3323
 46   0     6.1518     6.0000    -0.1518     3.9896     3.6662     0.3234
 47   0     6.1835     6.0000    -0.1835     4.0055     3.6811     0.3244
 48   0     6.1848     6.0000    -0.1848     4.0032     3.6801     0.3231
 49   0     6.1199     6.0000    -0.1199     3.9561     3.6316     0.3245
 50   0     0.9110     1.0000     0.0890     0.9773     0.9224     0.0549
 51   0     0.9137     1.0000     0.0863     0.9828     0.9266     0.0562
 52   0     0.9115     1.0000     0.0885     0.9872     0.9338     0.0534
 53   0     0.9056     1.0000     0.0944     0.9824     0.9293     0.0531
 54   0     0.9000     1.0000     0.1000     0.9829     0.9307     0.0522
 55   0     0.9194     1.0000     0.0806     0.9851     0.9311     0.0540
 56   0     0.9188     1.0000     0.0812     0.9856     0.9316     0.0540
 57   0     0.9129     1.0000     0.0871     0.9802     0.9292     0.0510
 58   0     0.8999     1.0000     0.1001     0.9847     0.9334     0.0513
 59   0     0.9455     1.0000     0.0545     1.0154     0.9574     0.0580
 60   0     6.1702     6.0000    -0.1702     4.0172     3.6972     0.3200
 61   0     6.1860     6.0000    -0.1860     4.0308     3.7083     0.3225
 62   0     6.1459     6.0000    -0.1459     3.9728     3.6519     0.3209
 63   0     6.1749     6.0000    -0.1749     4.0163     3.6942     0.3221
 64   0     6.1711     6.0000    -0.1711     4.0069     3.6889     0.3180
 65   0     0.9083     1.0000     0.0917     0.9832     0.9309     0.0523
 66   0     0.9050     1.0000     0.0950     0.9766     0.9227     0.0539
 67   0     0.9113     1.0000     0.0887     0.9845     0.9298     0.0547
 68   0     0.9111     1.0000     0.0889     0.9849     0.9328     0.0521
 69   0     0.9189     1.0000     0.0811     0.9897     0.9388     0.0509
 70   0     0.9225     1.0000     0.0775     0.9850     0.9299     0.0551
 71   0     0.9316     1.0000     0.0684     0.9718     0.9156     0.0562
 72   0     0.9038     1.0000     0.0962     0.9883     0.9397     0.0486
 73   0     0.9201     1.0000     0.0799     0.9913     0.9412     0.0501
 74   0     0.9118     1.0000     0.0882     0.9831     0.9302     0.0529
 75   0     6.1735     6.0000    -0.1735     3.9982     3.6779     0.3203
 76   0     6.1782     6.0000    -0.1782     4.0012     3.6797     0.3215
 77   0     6.1486     6.0000    -0.1486     3.9907     3.6712     0.3195
 78   0     6.2142     6.0000    -0.2142     3.9923     3.6604     0.3319
 79   0     6.1313     6.0000    -0.1313     3.9727     3.6529     0.3198
 80   0     0.9246     1.0000     0.0754     0.9872     0.9363     0.0509
 81   0     0.9067     1.0000     0.0933     0.9844     0.9332     0.0512
 82   0     0.9084     1.0000     0.0916     0.9845     0.9317     0.0528
 83   0     0.9168     1.0000     0.0832     0.9838     0.9297     0.0541
 84   0     0.9161     1.0000     0.0839     0.9875     0.9366     0.0509
 85   0     0.9117     1.0000     0.0883     0.9871     0.9370     0.0501
 86   0     0.9153     1.0000     0.0847     0.9806     0.9269     0.0537
 87   0     0.9008     1.0000     0.0992     0.9837     0.9321     0.0516
 88   0     0.9243     1.0000     0.0757     0.9967     0.9451     0.0516
 89   0     0.9238     1.0000     0.0762     0.9890     0.9372     0.0518
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.886505
                0             6               4            6                0.915039
                0             6               5            1                0.956013
                0             6               6            1                0.949134
                1             6               2            6                0.885859
                1             6               7            1                0.960310
                1             6               8            1                0.954050
                2             6               3            6                0.902470
                2             6               9            1                0.962298
                2             6              10            1                0.949361
                3             6               4            6                0.917006
                3             6              11            1                0.953335
                3             6              12            1                0.945685
                4             6              13            1                0.954278
                4             6              14            1                0.952994
               15             6              16            6                0.899002
               15             6              19            6                0.903473
               15             6              20            1                0.948174
               15             6              21            1                0.952911
               16             6              17            6                0.915121
               16             6              22            1                0.950433
               16             6              23            1                0.957177
               17             6              18            6                0.906386
               17             6              24            1                0.955926
               17             6              25            1                0.951445
               18             6              19            6                0.897023
               18             6              26            1                0.953007
               18             6              27            1                0.957607
               19             6              28            1                0.945521
               19             6              29            1                0.937771
               30             6              31            6                0.905299
               30             6              34            6                0.905467
               30             6              35            1                0.956994
               30             6              36            1                0.951807
               31             6              32            6                0.901537
               31             6              37            1                0.950802
               31             6              38            1                0.955203
               32             6              33            6                0.909395
               32             6              39            1                0.949756
               32             6              40            1                0.954944
               33             6              34            6                0.905448
               33             6              41            1                0.956157
               33             6              42            1                0.950347
               34             6              43            1                0.957067
               34             6              44            1                0.949187
               45             6              46            6                0.895779
               45             6              49            6                0.895128
               45             6              50            1                0.952640
               45             6              51            1                0.944730
               46             6              47            6                0.913336
               46             6              52            1                0.946595
               46             6              53            1                0.952046
               47             6              48            6                0.899750
               47             6              54            1                0.943678
               47             6              55            1                0.953651
               48             6              49            6                0.907039
               48             6              56            1                0.951806
               48             6              57            1                0.955087
               49             6              58            1                0.940864
               49             6              59            1                0.944671
               60             6              61            6                0.922560
               60             6              64            6                0.906545
               60             6              65            1                0.940288
               60             6              66            1                0.953886
               61             6              62            6                0.910552
               61             6              67            1                0.944271
               61             6              68            1                0.943391
               62             6              63            6                0.900655
               62             6              69            1                0.949433
               62             6              70            1                0.942210
               63             6              64            6                0.917358
               63             6              71            1                0.950695
               63             6              72            1                0.949108
               64             6              73            1                0.957873
               64             6              74            1                0.938255
               75             6              76            6                0.903685
               75             6              79            6                0.897409
               75             6              80            1                0.963276
               75             6              81            1                0.943963
               76             6              77            6                0.914873
               76             6              82            1                0.942910
               76             6              83            1                0.952212
               77             6              78            6                0.890539
               77             6              84            1                0.948786
               77             6              85            1                0.952320
               78             6              79            6                0.898829
               78             6              86            1                0.946859
               78             6              87            1                0.948024
               79             6              88            1                0.945560
               79             6              89            1                0.958551
# -----------------------------------------------------------
$ 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     6.2002     6.0000    -0.2002     3.9652     3.6486     0.3166
  1   0     6.2491     6.0000    -0.2491     3.9468     3.6311     0.3157
  2   0     6.2195     6.0000    -0.2195     3.9681     3.6509     0.3172
  3   0     6.2146     6.0000    -0.2146     3.9899     3.6728     0.3171
  4   0     6.2115     6.0000    -0.2115     4.0078     3.7018     0.3060
  5   0     0.8898     1.0000     0.1102     0.9813     0.9305     0.0508
  6   0     0.8962     1.0000     0.1038     0.9828     0.9300     0.0528
  7   0     0.8952     1.0000     0.1048     0.9796     0.9318     0.0478
  8   0     0.8948     1.0000     0.1052     0.9770     0.9240     0.0530
  9   0     0.8899     1.0000     0.1101     0.9802     0.9305     0.0497
 10   0     0.8846     1.0000     0.1154     0.9781     0.9271     0.0510
 11   0     0.8931     1.0000     0.1069     0.9804     0.9286     0.0518
 12   0     0.8856     1.0000     0.1144     0.9784     0.9274     0.0510
 13   0     0.8842     1.0000     0.1158     0.9795     0.9322     0.0473
 14   0     0.8914     1.0000     0.1086     0.9810     0.9315     0.0495
 15   0     6.2743     6.0000    -0.2743     3.9958     3.6614     0.3344
 16   0     6.1994     6.0000    -0.1994     3.9861     3.6761     0.3100
 17   0     6.2273     6.0000    -0.2273     4.0077     3.6900     0.3177
 18   0     6.2100     6.0000    -0.2100     3.9934     3.6722     0.3212
 19   0     6.1967     6.0000    -0.1967     3.9674     3.6367     0.3307
 20   0     0.8943     1.0000     0.1057     0.9774     0.9206     0.0568
 21   0     0.8798     1.0000     0.1202     0.9778     0.9269     0.0509
 22   0     0.8894     1.0000     0.1106     0.9794     0.9270     0.0524
 23   0     0.8787     1.0000     0.1213     0.9826     0.9368     0.0458
 24   0     0.8874     1.0000     0.1126     0.9807     0.9298     0.0509
 25   0     0.8874     1.0000     0.1126     0.9752     0.9238     0.0514
 26   0     0.8872     1.0000     0.1128     0.9798     0.9276     0.0522
 27   0     0.8899     1.0000     0.1101     0.9884     0.9371     0.0513
 28   0     0.9012     1.0000     0.0988     0.9785     0.9232     0.0553
 29   0     0.9051     1.0000     0.0949     0.9983     0.9457     0.0526
 30   0     6.2135     6.0000    -0.2135     3.9814     3.6734     0.3080
 31   0     6.2394     6.0000    -0.2394     3.9728     3.6580     0.3148
 32   0     6.2296     6.0000    -0.2296     3.9825     3.6662     0.3163
 33   0     6.2058     6.0000    -0.2058     3.9866     3.6750     0.3116
 34   0     6.2159     6.0000    -0.2159     3.9966     3.6832     0.3134
 35   0     0.8821     1.0000     0.1179     0.9744     0.9255     0.0489
 36   0     0.8970     1.0000     0.1030     0.9827     0.9305     0.0522
 37   0     0.8799     1.0000     0.1201     0.9717     0.9219     0.0498
 38   0     0.8961     1.0000     0.1039     0.9726     0.9197     0.0529
 39   0     0.8894     1.0000     0.1106     0.9789     0.9276     0.0513
 40   0     0.8871     1.0000     0.1129     0.9765     0.9266     0.0499
 41   0     0.8995     1.0000     0.1005     0.9819     0.9314     0.0505
 42   0     0.8848     1.0000     0.1152     0.9777     0.9292     0.0485
 43   0     0.8902     1.0000     0.1098     0.9870     0.9381     0.0489
 44   0     0.8901     1.0000     0.1099     0.9773     0.9259     0.0514
 45   0     6.2701     6.0000    -0.2701     3.9900     3.6625     0.3275
 46   0     6.2056     6.0000    -0.2056     3.9776     3.6583     0.3193
 47   0     6.2302     6.0000    -0.2302     3.9882     3.6680     0.3202
 48   0     6.2344     6.0000    -0.2344     3.9854     3.6665     0.3189
 49   0     6.1761     6.0000    -0.1761     3.9511     3.6309     0.3202
 50   0     0.8854     1.0000     0.1146     0.9699     0.9161     0.0538
 51   0     0.8882     1.0000     0.1118     0.9751     0.9201     0.0550
 52   0     0.8875     1.0000     0.1125     0.9777     0.9253     0.0524
 53   0     0.8827     1.0000     0.1173     0.9754     0.9233     0.0521
 54   0     0.8783     1.0000     0.1217     0.9759     0.9247     0.0512
 55   0     0.8935     1.0000     0.1065     0.9761     0.9232     0.0529
 56   0     0.8926     1.0000     0.1074     0.9770     0.9241     0.0529
 57   0     0.8870     1.0000     0.1130     0.9725     0.9226     0.0499
 58   0     0.8782     1.0000     0.1218     0.9783     0.9280     0.0503
 59   0     0.9159     1.0000     0.0841     1.0043     0.9476     0.0567
 60   0     6.2193     6.0000    -0.2193     4.0075     3.6920     0.3155
 61   0     6.2231     6.0000    -0.2231     4.0103     3.6924     0.3179
 62   0     6.1922     6.0000    -0.1922     3.9468     3.6303     0.3165
 63   0     6.2277     6.0000    -0.2277     3.9968     3.6790     0.3178
 64   0     6.2216     6.0000    -0.2216     3.9906     3.6768     0.3138
 65   0     0.8875     1.0000     0.1125     0.9763     0.9250     0.0513
 66   0     0.8775     1.0000     0.1225     0.9707     0.9182     0.0525
 67   0     0.8902     1.0000     0.1098     0.9801     0.9264     0.0537
 68   0     0.8911     1.0000     0.1089     0.9782     0.9269     0.0513
 69   0     0.8927     1.0000     0.1073     0.9826     0.9329     0.0497
 70   0     0.8992     1.0000     0.1008     0.9783     0.9243     0.0540
 71   0     0.9033     1.0000     0.0967     0.9739     0.9191     0.0548
 72   0     0.8842     1.0000     0.1158     0.9822     0.9347     0.0475
 73   0     0.8917     1.0000     0.1083     0.9814     0.9325     0.0489
 74   0     0.8897     1.0000     0.1103     0.9761     0.9242     0.0519
 75   0     6.2263     6.0000    -0.2263     3.9705     3.6540     0.3165
 76   0     6.2233     6.0000    -0.2233     3.9775     3.6603     0.3172
 77   0     6.2096     6.0000    -0.2096     3.9755     3.6597     0.3158
 78   0     6.2531     6.0000    -0.2531     3.9665     3.6389     0.3276
 79   0     6.1915     6.0000    -0.1915     3.9528     3.6369     0.3159
 80   0     0.8948     1.0000     0.1052     0.9778     0.9281     0.0497
 81   0     0.8829     1.0000     0.1171     0.9786     0.9285     0.0501
 82   0     0.8847     1.0000     0.1153     0.9779     0.9261     0.0518
 83   0     0.8913     1.0000     0.1087     0.9765     0.9235     0.0530
 84   0     0.8896     1.0000     0.1104     0.9791     0.9294     0.0497
 85   0     0.8864     1.0000     0.1136     0.9793     0.9302     0.0491
 86   0     0.8915     1.0000     0.1085     0.9757     0.9232     0.0525
 87   0     0.8770     1.0000     0.1230     0.9763     0.9258     0.0505
 88   0     0.8951     1.0000     0.1049     0.9919     0.9415     0.0504
 89   0     0.8977     1.0000     0.1023     0.9808     0.9301     0.0507
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.891301
                0             6               4            6                0.923521
                0             6               5            1                0.942160
                0             6               6            1                0.937020
                1             6               2            6                0.894715
                1             6               7            1                0.952365
                1             6               8            1                0.941274
                2             6               3            6                0.907976
                2             6               9            1                0.952834
                2             6              10            1                0.935258
                3             6               4            6                0.927769
                3             6              11            1                0.939145
                3             6              12            1                0.934223
                4             6              13            1                0.944073
                4             6              14            1                0.940179
               15             6              16            6                0.907137
               15             6              19            6                0.910342
               15             6              20            1                0.929135
               15             6              21            1                0.941690
               16             6              17            6                0.926873
               16             6              22            1                0.934980
               16             6              23            1                0.946555
               17             6              18            6                0.913800
               17             6              24            1                0.940814
               17             6              25            1                0.935902
               18             6              19            6                0.909838
               18             6              26            1                0.936732
               18             6              27            1                0.942232
               19             6              28            1                0.930150
               19             6              29            1                0.924116
               30             6              31            6                0.916712
               30             6              34            6                0.914856
               30             6              35            1                0.945389
               30             6              36            1                0.937285
               31             6              32            6                0.908754
               31             6              37            1                0.938223
               31             6              38            1                0.940646
               32             6              33            6                0.916608
               32             6              39            1                0.937144
               32             6              40            1                0.941762
               33             6              34            6                0.914235
               33             6              41            1                0.945937
               33             6              42            1                0.937290
               34             6              43            1                0.945998
               34             6              44            1                0.935026
               45             6              46            6                0.908387
               45             6              49            6                0.907159
               45             6              50            1                0.941374
               45             6              51            1                0.928155
               46             6              47            6                0.921483
               46             6              52            1                0.931323
               46             6              53            1                0.940237
               47             6              48            6                0.906395
               47             6              54            1                0.931021
               47             6              55            1                0.941173
               48             6              49            6                0.916414
               48             6              56            1                0.938200
               48             6              57            1                0.944507
               49             6              58            1                0.931975
               49             6              59            1                0.928317
               60             6              61            6                0.935758
               60             6              64            6                0.921472
               60             6              65            1                0.925193
               60             6              66            1                0.937677
               61             6              62            6                0.917790
               61             6              67            1                0.929667
               61             6              68            1                0.928516
               62             6              63            6                0.907754
               62             6              69            1                0.939298
               62             6              70            1                0.925704
               63             6              64            6                0.919189
               63             6              71            1                0.936756
               63             6              72            1                0.935695
               64             6              73            1                0.945615
               64             6              74            1                0.923434
               75             6              76            6                0.907847
               75             6              79            6                0.898448
               75             6              80            1                0.953984
               75             6              81            1                0.931654
               76             6              77            6                0.923291
               76             6              82            1                0.930712
               76             6              83            1                0.940108
               77             6              78            6                0.892547
               77             6              84            1                0.937558
               77             6              85            1                0.942315
               78             6              79            6                0.902092
               78             6              86            1                0.934842
               78             6              87            1                0.937601
               79             6              88            1                0.938210
               79             6              89            1                0.947717
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2033842646
        Correlation Energy:       -5.0600897792
        Total MP2 Energy:      -1176.2634740439
# -----------------------------------------------------------
$ 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) :        0.3678929120
        Electronic Contribution:
                  0    
      0       0.064610
      1      -0.807502
      2      -0.352942
        Nuclear Contribution:
                  0    
      0      -0.184768
      1       0.819406
      2       0.273135
        Total Dipole moment:
                  0    
      0      -0.120158
      1       0.011903
      2      -0.079807
# -----------------------------------------------------------
$ 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) :        0.3667620328
        Electronic Contribution:
                  0    
      0       0.064983
      1      -0.805940
      2      -0.352448
        Nuclear Contribution:
                  0    
      0      -0.184768
      1       0.819406
      2       0.273135
        Total Dipole moment:
                  0    
      0      -0.119785
      1       0.013466
      2      -0.079313
# -----------------------------------------------------------
$ 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) :        0.2931458322
        Electronic Contribution:
                  0    
      0       0.088563
      1      -0.789949
      2      -0.329508
        Nuclear Contribution:
                  0    
      0      -0.184768
      1       0.819406
      2       0.273135
        Total Dipole moment:
                  0    
      0      -0.096205
      1       0.029457
      2      -0.056372
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     19.110000000000   18.930000000000   19.160000000000
               1 C     18.960000000000   19.770000000000   20.440000000000
               2 C     18.620000000000   18.810000000000   21.590000000000
               3 C     18.510000000000   17.350000000000   21.010000000000
               4 C     18.640000000000   17.500000000000   19.500000000000
               5 H     20.170000000000   19.100000000000   19.000000000000
               6 H     18.460000000000   19.410000000000   18.380000000000
               7 H     18.260000000000   20.490000000000   20.270000000000
               8 H     19.930000000000   20.320000000000   20.540000000000
               9 H     17.700000000000   19.160000000000   21.980000000000
              10 H     19.300000000000   18.830000000000   22.450000000000
              11 H     17.500000000000   17.100000000000   21.370000000000
              12 H     19.280000000000   16.680000000000   21.450000000000
              13 H     17.740000000000   17.270000000000   19.040000000000
              14 H     19.330000000000   16.770000000000   19.140000000000
              15 C     17.010000000000   25.810000000000   19.450000000000
              16 C     16.970000000000   25.420000000000   17.940000000000
              17 C     17.930000000000   24.260000000000   17.730000000000
              18 C     18.670000000000   23.990000000000   19.060000000000
              19 C     17.870000000000   24.680000000000   20.200000000000
              20 H     15.950000000000   25.850000000000   19.930000000000
              21 H     17.380000000000   26.800000000000   19.640000000000
              22 H     17.270000000000   26.330000000000   17.390000000000
              23 H     16.010000000000   25.250000000000   17.650000000000
              24 H     18.680000000000   24.390000000000   16.950000000000
              25 H     17.450000000000   23.300000000000   17.480000000000
              26 H     19.710000000000   24.360000000000   18.940000000000
              27 H     18.770000000000   22.910000000000   19.250000000000
              28 H     18.550000000000   25.360000000000   20.790000000000
              29 H     17.230000000000   24.110000000000   20.890000000000
              30 C     20.890000000000   27.800000000000   17.890000000000
              31 C     21.970000000000   27.110000000000   18.620000000000
              32 C     22.660000000000   26.120000000000   17.640000000000
              33 C     21.670000000000   25.920000000000   16.470000000000
              34 C     20.640000000000   27.070000000000   16.560000000000
              35 H     21.130000000000   28.840000000000   17.800000000000
              36 H     20.060000000000   27.820000000000   18.590000000000
              37 H     21.780000000000   26.640000000000   19.570000000000
              38 H     22.710000000000   27.880000000000   18.920000000000
              39 H     22.890000000000   25.130000000000   18.070000000000
              40 H     23.600000000000   26.570000000000   17.360000000000
              41 H     21.130000000000   25.010000000000   16.580000000000
              42 H     22.150000000000   25.860000000000   15.520000000000
              43 H     19.680000000000   26.660000000000   16.440000000000
              44 H     20.780000000000   27.800000000000   15.740000000000
              45 C     16.400000000000   30.100000000000   20.350000000000
              46 C     16.560000000000   31.570000000000   20.820000000000
              47 C     15.490000000000   32.440000000000   20.100000000000
              48 C     14.670000000000   31.450000000000   19.230000000000
              49 C     15.230000000000   30.000000000000   19.340000000000
              50 H     16.290000000000   29.560000000000   21.330000000000
              51 H     17.290000000000   29.560000000000   19.880000000000
              52 H     17.590000000000   31.910000000000   20.590000000000
              53 H     16.490000000000   31.580000000000   21.940000000000
              54 H     15.750000000000   33.300000000000   19.450000000000
              55 H     14.800000000000   32.860000000000   20.870000000000
              56 H     14.650000000000   31.830000000000   18.180000000000
              57 H     13.660000000000   31.530000000000   19.560000000000
              58 H     15.500000000000   29.620000000000   18.340000000000
              59 H     14.440000000000   29.310000000000   19.820000000000
              60 C     18.060000000000   23.260000000000   23.720000000000
              61 C     18.230000000000   24.700000000000   24.110000000000
              62 C     16.810000000000   25.250000000000   23.910000000000
              63 C     15.930000000000   24.200000000000   23.300000000000
              64 C     16.620000000000   22.860000000000   23.640000000000
              65 H     18.630000000000   22.580000000000   24.390000000000
              66 H     18.450000000000   23.160000000000   22.670000000000
              67 H     18.910000000000   25.280000000000   23.390000000000
              68 H     18.520000000000   24.780000000000   25.180000000000
              69 H     16.870000000000   26.100000000000   23.260000000000
              70 H     16.340000000000   25.500000000000   24.920000000000
              71 H     15.950000000000   24.310000000000   22.180000000000
              72 H     14.950000000000   24.350000000000   23.670000000000
              73 H     16.480000000000   22.160000000000   22.860000000000
              74 H     16.100000000000   22.430000000000   24.530000000000
              75 C     11.620000000000   24.970000000000   19.100000000000
              76 C     10.800000000000   25.480000000000   20.300000000000
              77 C     11.190000000000   26.930000000000   20.610000000000
              78 C     12.390000000000   27.350000000000   19.630000000000
              79 C     12.550000000000   26.140000000000   18.640000000000
              80 H     10.930000000000   24.830000000000   18.310000000000
              81 H     12.200000000000   24.050000000000   19.170000000000
              82 H     10.940000000000   24.770000000000   21.150000000000
              83 H      9.710000000000   25.570000000000   20.050000000000
              84 H     11.510000000000   26.980000000000   21.630000000000
              85 H     10.390000000000   27.620000000000   20.470000000000
              86 H     13.330000000000   27.420000000000   20.190000000000
              87 H     12.240000000000   28.310000000000   19.100000000000
              88 H     13.560000000000   25.820000000000   18.530000000000
              89 H     12.060000000000   26.420000000000   17.730000000000
