-------------------------------------------------------------
----------------------- !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:    -1171.1824405291
# -----------------------------------------------------------
$ 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     6.1891     6.0000    -0.1891     3.8973     3.8973     0.0000
  1   0     6.1609     6.0000    -0.1609     3.8776     3.8776     0.0000
  2   0     6.1250     6.0000    -0.1250     3.8582     3.8582     0.0000
  3   0     6.1797     6.0000    -0.1797     3.8979     3.8979     0.0000
  4   0     6.1521     6.0000    -0.1521     3.8829     3.8829     0.0000
  5   0     0.9188     1.0000     0.0812     0.9786     0.9786     0.0000
  6   0     0.9073     1.0000     0.0927     0.9731     0.9731    -0.0000
  7   0     0.9202     1.0000     0.0798     0.9686     0.9686    -0.0000
  8   0     0.9174     1.0000     0.0826     0.9738     0.9738     0.0000
  9   0     0.9794     1.0000     0.0206     0.9971     0.9971     0.0000
 10   0     0.9057     1.0000     0.0943     0.9742     0.9742     0.0000
 11   0     0.9144     1.0000     0.0856     0.9726     0.9726     0.0000
 12   0     0.9089     1.0000     0.0911     0.9750     0.9750     0.0000
 13   0     0.9148     1.0000     0.0852     0.9783     0.9783     0.0000
 14   0     0.9118     1.0000     0.0882     0.9786     0.9786    -0.0000
 15   0     6.1496     6.0000    -0.1496     3.8921     3.8921     0.0000
 16   0     6.2130     6.0000    -0.2130     3.8651     3.8651     0.0000
 17   0     6.1572     6.0000    -0.1572     3.8826     3.8826     0.0000
 18   0     6.1607     6.0000    -0.1607     3.9121     3.9121     0.0000
 19   0     6.1503     6.0000    -0.1503     3.8708     3.8708     0.0000
 20   0     0.9266     1.0000     0.0734     0.9768     0.9768     0.0000
 21   0     0.9101     1.0000     0.0899     0.9773     0.9773     0.0000
 22   0     0.9126     1.0000     0.0874     0.9698     0.9698     0.0000
 23   0     0.9190     1.0000     0.0810     0.9679     0.9679    -0.0000
 24   0     0.9238     1.0000     0.0762     0.9723     0.9723     0.0000
 25   0     0.9038     1.0000     0.0962     0.9728     0.9728     0.0000
 26   0     0.9089     1.0000     0.0911     0.9805     0.9805    -0.0000
 27   0     0.9111     1.0000     0.0889     0.9740     0.9740     0.0000
 28   0     0.9308     1.0000     0.0692     0.9827     0.9827     0.0000
 29   0     0.9203     1.0000     0.0797     0.9744     0.9744     0.0000
 30   0     6.1901     6.0000    -0.1901     3.8723     3.8723     0.0000
 31   0     6.1450     6.0000    -0.1450     3.8789     3.8789    -0.0000
 32   0     6.1945     6.0000    -0.1945     3.8673     3.8673     0.0000
 33   0     6.1562     6.0000    -0.1562     3.9029     3.9029     0.0000
 34   0     6.1085     6.0000    -0.1085     3.9109     3.9109     0.0000
 35   0     0.9148     1.0000     0.0852     0.9713     0.9713     0.0000
 36   0     0.9493     1.0000     0.0507     0.9954     0.9954     0.0000
 37   0     0.9240     1.0000     0.0760     0.9733     0.9733    -0.0000
 38   0     0.9096     1.0000     0.0904     0.9740     0.9740    -0.0000
 39   0     0.9194     1.0000     0.0806     0.9682     0.9682     0.0000
 40   0     0.9093     1.0000     0.0907     0.9707     0.9707     0.0000
 41   0     0.9187     1.0000     0.0813     0.9718     0.9718     0.0000
 42   0     0.9096     1.0000     0.0904     0.9697     0.9697    -0.0000
 43   0     0.9220     1.0000     0.0780     0.9857     0.9857     0.0000
 44   0     0.9210     1.0000     0.0790     0.9776     0.9776     0.0000
 45   0     6.1369     6.0000    -0.1369     3.8778     3.8778     0.0000
 46   0     6.1725     6.0000    -0.1725     3.9137     3.9137    -0.0000
 47   0     6.1625     6.0000    -0.1625     3.8917     3.8917    -0.0000
 48   0     6.1768     6.0000    -0.1768     3.8702     3.8702    -0.0000
 49   0     6.1515     6.0000    -0.1515     3.8961     3.8961     0.0000
 50   0     0.9360     1.0000     0.0640     0.9851     0.9851     0.0000
 51   0     0.9079     1.0000     0.0921     0.9740     0.9740     0.0000
 52   0     0.9077     1.0000     0.0923     0.9811     0.9811    -0.0000
 53   0     0.9223     1.0000     0.0777     0.9735     0.9735     0.0000
 54   0     0.9096     1.0000     0.0904     0.9719     0.9719     0.0000
 55   0     0.9313     1.0000     0.0687     0.9749     0.9749    -0.0000
 56   0     0.9161     1.0000     0.0839     0.9760     0.9760    -0.0000
 57   0     0.9122     1.0000     0.0878     0.9737     0.9737    -0.0000
 58   0     0.9103     1.0000     0.0897     0.9781     0.9781     0.0000
 59   0     0.9447     1.0000     0.0553     0.9840     0.9840     0.0000
 60   0     6.1501     6.0000    -0.1501     3.9248     3.9248    -0.0000
 61   0     6.0839     6.0000    -0.0839     3.8634     3.8634     0.0000
 62   0     6.1972     6.0000    -0.1972     3.8626     3.8626    -0.0000
 63   0     6.1817     6.0000    -0.1817     3.8658     3.8658     0.0000
 64   0     6.1612     6.0000    -0.1612     3.9073     3.9073    -0.0000
 65   0     0.9193     1.0000     0.0807     0.9765     0.9765     0.0000
 66   0     0.9113     1.0000     0.0887     0.9787     0.9787    -0.0000
 67   0     0.9718     1.0000     0.0282     0.9966     0.9966     0.0000
 68   0     0.9192     1.0000     0.0808     0.9793     0.9793     0.0000
 69   0     0.9425     1.0000     0.0575     0.9723     0.9723    -0.0000
 70   0     0.9114     1.0000     0.0886     0.9693     0.9693    -0.0000
 71   0     0.9232     1.0000     0.0768     0.9832     0.9832     0.0000
 72   0     0.9132     1.0000     0.0868     0.9777     0.9777    -0.0000
 73   0     0.9158     1.0000     0.0842     0.9758     0.9758    -0.0000
 74   0     0.9024     1.0000     0.0976     0.9779     0.9779    -0.0000
 75   0     6.1971     6.0000    -0.1971     3.9226     3.9226    -0.0000
 76   0     6.1682     6.0000    -0.1682     3.8574     3.8574    -0.0000
 77   0     6.1791     6.0000    -0.1791     3.8429     3.8429    -0.0000
 78   0     6.1461     6.0000    -0.1461     3.8889     3.8889    -0.0000
 79   0     6.1293     6.0000    -0.1293     3.9066     3.9066    -0.0000
 80   0     0.9114     1.0000     0.0886     0.9736     0.9736    -0.0000
 81   0     0.9044     1.0000     0.0956     0.9744     0.9744    -0.0000
 82   0     0.9207     1.0000     0.0793     0.9668     0.9668    -0.0000
 83   0     0.9329     1.0000     0.0671     0.9885     0.9885    -0.0000
 84   0     0.9369     1.0000     0.0631     0.9872     0.9872    -0.0000
 85   0     0.8988     1.0000     0.1012     0.9684     0.9684     0.0000
 86   0     0.9304     1.0000     0.0696     0.9792     0.9792     0.0000
 87   0     0.9168     1.0000     0.0832     0.9805     0.9805     0.0000
 88   0     0.9116     1.0000     0.0884     0.9789     0.9789     0.0000
 89   0     0.9182     1.0000     0.0818     0.9783     0.9783    -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                0.966757
                0             6               4            6                0.965457
                0             6               5            1                0.998955
                0             6               6            1                0.984770
                1             6               2            6                0.964181
                1             6               7            1                0.987353
                1             6               8            1                0.994701
                2             6               3            6                0.959802
                2             6               9            1                1.000148
                2             6              10            1                0.984222
                3             6               4            6                0.967864
                3             6              11            1                0.998067
                3             6              12            1                0.983878
                4             6              13            1                0.994081
                4             6              14            1                0.990826
               15             6              16            6                0.968685
               15             6              19            6                0.964292
               15             6              20            1                1.004781
               15             6              21            1                0.985137
               16             6              17            6                0.946357
               16             6              22            1                0.990596
               16             6              23            1                0.998018
               17             6              18            6                0.976401
               17             6              24            1                1.001140
               17             6              25            1                0.988300
               18             6              19            6                0.966750
               18             6              26            1                0.991960
               18             6              27            1                0.982719
               19             6              28            1                0.995339
               19             6              29            1                0.994203
               30             6              31            6                0.962518
               30             6              34            6                0.958208
               30             6              35            1                0.990321
               30             6              36            1                0.998016
               31             6              32            6                0.970267
               31             6              37            1                0.989266
               31             6              38            1                0.992792
               32             6              33            6                0.950084
               32             6              39            1                0.997040
               32             6              40            1                0.995126
               33             6              34            6                0.996920
               33             6              41            1                0.997642
               33             6              42            1                0.987106
               34             6              43            1                1.002021
               34             6              44            1                0.988463
               45             6              46            6                0.960929
               45             6              49            6                0.970632
               45             6              50            1                1.003976
               45             6              51            1                0.984623
               46             6              47            6                0.985731
               46             6              52            1                0.987744
               46             6              53            1                0.998614
               47             6              48            6                0.966520
               47             6              54            1                0.985879
               47             6              55            1                0.995168
               48             6              49            6                0.953842
               48             6              56            1                0.993667
               48             6              57            1                1.002724
               49             6              58            1                0.984817
               49             6              59            1                1.004464
               60             6              61            6                0.970669
               60             6              64            6                0.986705
               60             6              65            1                0.992904
               60             6              66            1                0.992199
               61             6              62            6                0.951917
               61             6              67            1                1.002208
               61             6              68            1                0.992184
               62             6              63            6                0.956549
               62             6              69            1                0.999221
               62             6              70            1                0.991202
               63             6              64            6                0.952114
               63             6              71            1                1.004855
               63             6              72            1                1.001079
               64             6              73            1                1.004128
               64             6              74            1                0.987091
               75             6              76            6                0.967637
               75             6              79            6                0.978469
               75             6              80            1                0.995804
               75             6              81            1                0.990667
               76             6              77            6                0.946438
               76             6              82            1                0.991729
               76             6              83            1                0.995351
               77             6              78            6                0.958132
               77             6              84            1                1.004173
               77             6              85            1                0.984481
               78             6              79            6                0.978842
               78             6              86            1                0.996315
               78             6              87            1                0.993240
               79             6              88            1                0.996497
               79             6              89            1                0.999179
# -----------------------------------------------------------
$ 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     6.1963     6.0000    -0.1963     4.0073     3.6818     0.3255
  1   0     6.1688     6.0000    -0.1688     3.9869     3.6632     0.3237
  2   0     6.1327     6.0000    -0.1327     3.9664     3.6383     0.3281
  3   0     6.1871     6.0000    -0.1871     4.0076     3.6813     0.3263
  4   0     6.1592     6.0000    -0.1592     3.9911     3.6712     0.3199
  5   0     0.9151     1.0000     0.0849     0.9882     0.9357     0.0525
  6   0     0.9036     1.0000     0.0964     0.9823     0.9310     0.0513
  7   0     0.9164     1.0000     0.0836     0.9784     0.9228     0.0556
  8   0     0.9136     1.0000     0.0864     0.9834     0.9304     0.0530
  9   0     0.9757     1.0000     0.0243     1.0091     0.9478     0.0613
 10   0     0.9020     1.0000     0.0980     0.9831     0.9296     0.0535
 11   0     0.9106     1.0000     0.0894     0.9819     0.9303     0.0516
 12   0     0.9053     1.0000     0.0947     0.9845     0.9302     0.0543
 13   0     0.9110     1.0000     0.0890     0.9877     0.9364     0.0513
 14   0     0.9082     1.0000     0.0918     0.9880     0.9380     0.0500
 15   0     6.1577     6.0000    -0.1577     4.0008     3.6844     0.3164
 16   0     6.2216     6.0000    -0.2216     3.9801     3.6527     0.3274
 17   0     6.1654     6.0000    -0.1654     3.9940     3.6660     0.3280
 18   0     6.1685     6.0000    -0.1685     4.0215     3.6993     0.3222
 19   0     6.1579     6.0000    -0.1579     3.9796     3.6644     0.3152
 20   0     0.9226     1.0000     0.0774     0.9864     0.9356     0.0508
 21   0     0.9063     1.0000     0.0937     0.9864     0.9358     0.0506
 22   0     0.9088     1.0000     0.0912     0.9791     0.9249     0.0542
 23   0     0.9149     1.0000     0.0851     0.9774     0.9248     0.0526
 24   0     0.9198     1.0000     0.0802     0.9819     0.9286     0.0533
 25   0     0.8998     1.0000     0.1002     0.9818     0.9291     0.0527
 26   0     0.9050     1.0000     0.0950     0.9895     0.9393     0.0502
 27   0     0.9071     1.0000     0.0929     0.9832     0.9318     0.0514
 28   0     0.9270     1.0000     0.0730     0.9930     0.9404     0.0526
 29   0     0.9160     1.0000     0.0840     0.9837     0.9336     0.0501
 30   0     6.1986     6.0000    -0.1986     3.9859     3.6611     0.3248
 31   0     6.1516     6.0000    -0.1516     3.9849     3.6713     0.3136
 32   0     6.2039     6.0000    -0.2039     3.9825     3.6536     0.3289
 33   0     6.1644     6.0000    -0.1644     4.0114     3.6900     0.3214
 34   0     6.1168     6.0000    -0.1168     4.0178     3.7032     0.3146
 35   0     0.9106     1.0000     0.0894     0.9801     0.9279     0.0522
 36   0     0.9459     1.0000     0.0541     1.0066     0.9501     0.0565
 37   0     0.9201     1.0000     0.0799     0.9831     0.9286     0.0545
 38   0     0.9055     1.0000     0.0945     0.9828     0.9306     0.0522
 39   0     0.9155     1.0000     0.0845     0.9777     0.9213     0.0564
 40   0     0.9051     1.0000     0.0949     0.9796     0.9272     0.0524
 41   0     0.9147     1.0000     0.0853     0.9811     0.9279     0.0532
 42   0     0.9052     1.0000     0.0948     0.9785     0.9273     0.0512
 43   0     0.9178     1.0000     0.0822     0.9951     0.9436     0.0515
 44   0     0.9167     1.0000     0.0833     0.9866     0.9345     0.0521
 45   0     6.1444     6.0000    -0.1444     3.9849     3.6722     0.3127
 46   0     6.1800     6.0000    -0.1800     4.0222     3.7008     0.3214
 47   0     6.1702     6.0000    -0.1702     3.9999     3.6781     0.3218
 48   0     6.1854     6.0000    -0.1854     3.9843     3.6604     0.3239
 49   0     6.1593     6.0000    -0.1593     4.0054     3.6853     0.3201
 50   0     0.9321     1.0000     0.0679     0.9949     0.9453     0.0496
 51   0     0.9041     1.0000     0.0959     0.9832     0.9331     0.0501
 52   0     0.9038     1.0000     0.0962     0.9901     0.9409     0.0492
 53   0     0.9185     1.0000     0.0815     0.9832     0.9306     0.0526
 54   0     0.9058     1.0000     0.0942     0.9812     0.9293     0.0519
 55   0     0.9273     1.0000     0.0727     0.9846     0.9284     0.0562
 56   0     0.9120     1.0000     0.0880     0.9852     0.9349     0.0503
 57   0     0.9082     1.0000     0.0918     0.9828     0.9314     0.0514
 58   0     0.9060     1.0000     0.0940     0.9869     0.9372     0.0497
 59   0     0.9415     1.0000     0.0585     0.9957     0.9426     0.0531
 60   0     6.1582     6.0000    -0.1582     4.0318     3.7112     0.3206
 61   0     6.0916     6.0000    -0.0916     3.9673     3.6542     0.3131
 62   0     6.2062     6.0000    -0.2062     3.9787     3.6512     0.3275
 63   0     6.1905     6.0000    -0.1905     3.9821     3.6545     0.3276
 64   0     6.1689     6.0000    -0.1689     4.0168     3.6941     0.3227
 65   0     0.9154     1.0000     0.0846     0.9861     0.9333     0.0528
 66   0     0.9074     1.0000     0.0926     0.9875     0.9362     0.0513
 67   0     0.9677     1.0000     0.0323     1.0080     0.9509     0.0571
 68   0     0.9150     1.0000     0.0850     0.9885     0.9384     0.0501
 69   0     0.9383     1.0000     0.0617     0.9830     0.9267     0.0563
 70   0     0.9067     1.0000     0.0933     0.9778     0.9282     0.0496
 71   0     0.9189     1.0000     0.0811     0.9920     0.9404     0.0516
 72   0     0.9087     1.0000     0.0913     0.9864     0.9384     0.0480
 73   0     0.9119     1.0000     0.0881     0.9852     0.9321     0.0531
 74   0     0.8983     1.0000     0.1017     0.9865     0.9365     0.0500
 75   0     6.2046     6.0000    -0.2046     4.0330     3.7047     0.3283
 76   0     6.1758     6.0000    -0.1758     3.9719     3.6355     0.3364
 77   0     6.1866     6.0000    -0.1866     3.9577     3.6260     0.3317
 78   0     6.1538     6.0000    -0.1538     3.9983     3.6732     0.3251
 79   0     6.1364     6.0000    -0.1364     4.0121     3.6945     0.3176
 80   0     0.9077     1.0000     0.0923     0.9828     0.9296     0.0532
 81   0     0.9007     1.0000     0.0993     0.9833     0.9298     0.0535
 82   0     0.9166     1.0000     0.0834     0.9766     0.9200     0.0566
 83   0     0.9287     1.0000     0.0713     0.9984     0.9430     0.0554
 84   0     0.9333     1.0000     0.0667     0.9979     0.9406     0.0573
 85   0     0.8949     1.0000     0.1051     0.9774     0.9249     0.0525
 86   0     0.9268     1.0000     0.0732     0.9895     0.9347     0.0548
 87   0     0.9128     1.0000     0.0872     0.9899     0.9389     0.0510
 88   0     0.9079     1.0000     0.0921     0.9882     0.9392     0.0490
 89   0     0.9145     1.0000     0.0855     0.9878     0.9361     0.0517
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.902500
                0             6               4            6                0.900646
                0             6               5            1                0.957096
                0             6               6            1                0.944108
                1             6               2            6                0.903384
                1             6               7            1                0.942805
                1             6               8            1                0.952681
                2             6               3            6                0.895082
                2             6               9            1                0.952110
                2             6              10            1                0.941147
                3             6               4            6                0.904526
                3             6              11            1                0.956713
                3             6              12            1                0.940676
                4             6              13            1                0.953305
                4             6              14            1                0.951518
               15             6              16            6                0.906074
               15             6              19            6                0.902661
               15             6              20            1                0.964701
               15             6              21            1                0.945227
               16             6              17            6                0.885117
               16             6              22            1                0.947120
               16             6              23            1                0.955820
               17             6              18            6                0.909816
               17             6              24            1                0.958067
               17             6              25            1                0.946160
               18             6              19            6                0.905811
               18             6              26            1                0.951904
               18             6              27            1                0.942021
               19             6              28            1                0.954114
               19             6              29            1                0.954604
               30             6              31            6                0.901831
               30             6              34            6                0.897546
               30             6              35            1                0.948024
               30             6              36            1                0.954024
               31             6              32            6                0.911778
               31             6              37            1                0.946040
               31             6              38            1                0.950597
               32             6              33            6                0.885531
               32             6              39            1                0.951337
               32             6              40            1                0.952708
               33             6              34            6                0.936140
               33             6              41            1                0.954480
               33             6              42            1                0.946117
               34             6              43            1                0.961090
               34             6              44            1                0.946439
               45             6              46            6                0.896837
               45             6              49            6                0.910547
               45             6              50            1                0.965009
               45             6              51            1                0.945250
               46             6              47            6                0.921276
               46             6              52            1                0.949188
               46             6              53            1                0.956584
               47             6              48            6                0.906582
               47             6              54            1                0.944948
               47             6              55            1                0.949867
               48             6              49            6                0.887989
               48             6              56            1                0.953873
               48             6              57            1                0.961202
               49             6              58            1                0.945198
               49             6              59            1                0.963619
               60             6              61            6                0.907447
               60             6              64            6                0.922914
               60             6              65            1                0.951303
               60             6              66            1                0.951076
               61             6              62            6                0.892935
               61             6              67            1                0.957598
               61             6              68            1                0.952403
               62             6              63            6                0.892057
               62             6              69            1                0.954183
               62             6              70            1                0.951064
               63             6              64            6                0.888896
               63             6              71            1                0.962768
               63             6              72            1                0.962556
               64             6              73            1                0.961185
               64             6              74            1                0.947386
               75             6              76            6                0.903462
               75             6              79            6                0.914652
               75             6              80            1                0.952816
               75             6              81            1                0.947519
               76             6              77            6                0.882106
               76             6              82            1                0.945671
               76             6              83            1                0.950887
               77             6              78            6                0.896253
               77             6              84            1                0.958130
               77             6              85            1                0.942111
               78             6              79            6                0.912603
               78             6              86            1                0.952746
               78             6              87            1                0.952704
               79             6              88            1                0.957928
               79             6              89            1                0.958127
# -----------------------------------------------------------
$ 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     6.2415     6.0000    -0.2415     3.9892     3.6677     0.3215
  1   0     6.2120     6.0000    -0.2120     3.9700     3.6509     0.3191
  2   0     6.1941     6.0000    -0.1941     3.9621     3.6384     0.3237
  3   0     6.2330     6.0000    -0.2330     3.9915     3.6695     0.3220
  4   0     6.2128     6.0000    -0.2128     3.9826     3.6666     0.3160
  5   0     0.8904     1.0000     0.1096     0.9796     0.9281     0.0515
  6   0     0.8809     1.0000     0.1191     0.9755     0.9251     0.0504
  7   0     0.8916     1.0000     0.1084     0.9718     0.9173     0.0545
  8   0     0.8909     1.0000     0.1091     0.9771     0.9251     0.0520
  9   0     0.9384     1.0000     0.0616     0.9997     0.9401     0.0596
 10   0     0.8790     1.0000     0.1210     0.9747     0.9223     0.0524
 11   0     0.8863     1.0000     0.1137     0.9744     0.9238     0.0506
 12   0     0.8828     1.0000     0.1172     0.9765     0.9232     0.0533
 13   0     0.8865     1.0000     0.1135     0.9794     0.9291     0.0503
 14   0     0.8844     1.0000     0.1156     0.9790     0.9300     0.0490
 15   0     6.2080     6.0000    -0.2080     3.9740     3.6615     0.3125
 16   0     6.2677     6.0000    -0.2677     3.9584     3.6355     0.3229
 17   0     6.2155     6.0000    -0.2155     3.9824     3.6587     0.3237
 18   0     6.2133     6.0000    -0.2133     4.0018     3.6839     0.3179
 19   0     6.2153     6.0000    -0.2153     3.9681     3.6570     0.3111
 20   0     0.8959     1.0000     0.1041     0.9771     0.9274     0.0497
 21   0     0.8821     1.0000     0.1179     0.9787     0.9292     0.0495
 22   0     0.8834     1.0000     0.1166     0.9725     0.9195     0.0530
 23   0     0.8894     1.0000     0.1106     0.9691     0.9176     0.0515
 24   0     0.8905     1.0000     0.1095     0.9761     0.9242     0.0519
 25   0     0.8817     1.0000     0.1183     0.9763     0.9245     0.0518
 26   0     0.8812     1.0000     0.1188     0.9849     0.9358     0.0491
 27   0     0.8865     1.0000     0.1135     0.9768     0.9263     0.0505
 28   0     0.8975     1.0000     0.1025     0.9846     0.9333     0.0513
 29   0     0.8897     1.0000     0.1103     0.9758     0.9269     0.0489
 30   0     6.2513     6.0000    -0.2513     3.9661     3.6458     0.3203
 31   0     6.1937     6.0000    -0.1937     3.9656     3.6567     0.3089
 32   0     6.2552     6.0000    -0.2552     3.9674     3.6433     0.3241
 33   0     6.2100     6.0000    -0.2100     3.9880     3.6710     0.3170
 34   0     6.1872     6.0000    -0.1872     4.0074     3.6969     0.3105
 35   0     0.8838     1.0000     0.1162     0.9707     0.9198     0.0509
 36   0     0.9156     1.0000     0.0844     1.0030     0.9481     0.0549
 37   0     0.8962     1.0000     0.1038     0.9770     0.9238     0.0532
 38   0     0.8804     1.0000     0.1196     0.9760     0.9250     0.0510
 39   0     0.8880     1.0000     0.1120     0.9704     0.9153     0.0551
 40   0     0.8792     1.0000     0.1208     0.9728     0.9217     0.0511
 41   0     0.8898     1.0000     0.1102     0.9764     0.9244     0.0520
 42   0     0.8854     1.0000     0.1146     0.9763     0.9261     0.0502
 43   0     0.8847     1.0000     0.1153     0.9887     0.9386     0.0501
 44   0     0.8918     1.0000     0.1082     0.9791     0.9281     0.0510
 45   0     6.2033     6.0000    -0.2033     3.9685     3.6597     0.3088
 46   0     6.2275     6.0000    -0.2275     3.9921     3.6745     0.3176
 47   0     6.2118     6.0000    -0.2118     3.9742     3.6569     0.3173
 48   0     6.2397     6.0000    -0.2397     3.9645     3.6445     0.3200
 49   0     6.2221     6.0000    -0.2221     3.9900     3.6742     0.3158
 50   0     0.8978     1.0000     0.1022     0.9855     0.9372     0.0483
 51   0     0.8806     1.0000     0.1194     0.9768     0.9277     0.0491
 52   0     0.8814     1.0000     0.1186     0.9823     0.9341     0.0482
 53   0     0.8916     1.0000     0.1084     0.9769     0.9254     0.0515
 54   0     0.8843     1.0000     0.1157     0.9754     0.9245     0.0509
 55   0     0.8998     1.0000     0.1002     0.9770     0.9219     0.0551
 56   0     0.8858     1.0000     0.1142     0.9765     0.9274     0.0491
 57   0     0.8807     1.0000     0.1193     0.9748     0.9247     0.0501
 58   0     0.8837     1.0000     0.1163     0.9797     0.9310     0.0487
 59   0     0.9092     1.0000     0.0908     0.9953     0.9436     0.0517
 60   0     6.2040     6.0000    -0.2040     4.0101     3.6936     0.3165
 61   0     6.1508     6.0000    -0.1508     3.9533     3.6446     0.3087
 62   0     6.2569     6.0000    -0.2569     3.9603     3.6377     0.3226
 63   0     6.2596     6.0000    -0.2596     3.9657     3.6423     0.3234
 64   0     6.2129     6.0000    -0.2129     3.9929     3.6744     0.3185
 65   0     0.8931     1.0000     0.1069     0.9784     0.9266     0.0518
 66   0     0.8841     1.0000     0.1159     0.9798     0.9295     0.0503
 67   0     0.9364     1.0000     0.0636     1.0023     0.9467     0.0556
 68   0     0.8888     1.0000     0.1112     0.9807     0.9318     0.0489
 69   0     0.9089     1.0000     0.0911     0.9782     0.9234     0.0548
 70   0     0.8819     1.0000     0.1181     0.9708     0.9224     0.0484
 71   0     0.8832     1.0000     0.1168     0.9785     0.9285     0.0500
 72   0     0.8820     1.0000     0.1180     0.9769     0.9301     0.0468
 73   0     0.8863     1.0000     0.1137     0.9777     0.9258     0.0519
 74   0     0.8763     1.0000     0.1237     0.9793     0.9304     0.0489
 75   0     6.2425     6.0000    -0.2425     4.0114     3.6877     0.3237
 76   0     6.2286     6.0000    -0.2286     3.9691     3.6376     0.3315
 77   0     6.2386     6.0000    -0.2386     3.9567     3.6298     0.3269
 78   0     6.2077     6.0000    -0.2077     3.9871     3.6664     0.3207
 79   0     6.1912     6.0000    -0.1912     3.9940     3.6801     0.3139
 80   0     0.8844     1.0000     0.1156     0.9744     0.9221     0.0523
 81   0     0.8783     1.0000     0.1217     0.9751     0.9226     0.0525
 82   0     0.8930     1.0000     0.1070     0.9716     0.9163     0.0553
 83   0     0.8980     1.0000     0.1020     0.9857     0.9316     0.0541
 84   0     0.9048     1.0000     0.0952     0.9876     0.9318     0.0558
 85   0     0.8718     1.0000     0.1282     0.9712     0.9199     0.0513
 86   0     0.9003     1.0000     0.0997     0.9827     0.9293     0.0534
 87   0     0.8878     1.0000     0.1122     0.9805     0.9306     0.0499
 88   0     0.8842     1.0000     0.1158     0.9802     0.9323     0.0479
 89   0     0.8896     1.0000     0.1104     0.9782     0.9276     0.0506
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.909681
                0             6               4            6                0.906701
                0             6               5            1                0.944029
                0             6               6            1                0.933862
                1             6               2            6                0.919296
                1             6               7            1                0.928524
                1             6               8            1                0.939618
                2             6               3            6                0.902971
                2             6               9            1                0.937920
                2             6              10            1                0.927055
                3             6               4            6                0.916785
                3             6              11            1                0.946153
                3             6              12            1                0.926143
                4             6              13            1                0.942519
                4             6              14            1                0.940020
               15             6              16            6                0.907344
               15             6              19            6                0.910478
               15             6              20            1                0.951016
               15             6              21            1                0.932156
               16             6              17            6                0.897759
               16             6              22            1                0.932219
               16             6              23            1                0.941716
               17             6              18            6                0.916590
               17             6              24            1                0.947109
               17             6              25            1                0.929362
               18             6              19            6                0.914129
               18             6              26            1                0.941707
               18             6              27            1                0.929870
               19             6              28            1                0.940560
               19             6              29            1                0.943291
               30             6              31            6                0.910252
               30             6              34            6                0.905012
               30             6              35            1                0.933020
               30             6              36            1                0.936902
               31             6              32            6                0.926559
               31             6              37            1                0.928275
               31             6              38            1                0.937046
               32             6              33            6                0.889608
               32             6              39            1                0.932895
               32             6              40            1                0.938157
               33             6              34            6                0.944560
               33             6              41            1                0.937521
               33             6              42            1                0.934145
               34             6              43            1                0.945076
               34             6              44            1                0.932925
               45             6              46            6                0.900439
               45             6              49            6                0.916577
               45             6              50            1                0.958259
               45             6              51            1                0.931615
               46             6              47            6                0.923480
               46             6              52            1                0.936698
               46             6              53            1                0.945756
               47             6              48            6                0.916887
               47             6              54            1                0.930901
               47             6              55            1                0.935960
               48             6              49            6                0.890297
               48             6              56            1                0.940388
               48             6              57            1                0.947868
               49             6              58            1                0.930557
               49             6              59            1                0.955975
               60             6              61            6                0.917894
               60             6              64            6                0.931250
               60             6              65            1                0.934080
               60             6              66            1                0.937622
               61             6              62            6                0.903703
               61             6              67            1                0.939293
               61             6              68            1                0.941678
               62             6              63            6                0.890558
               62             6              69            1                0.940086
               62             6              70            1                0.937720
               63             6              64            6                0.896008
               63             6              71            1                0.948751
               63             6              72            1                0.947016
               64             6              73            1                0.943564
               64             6              74            1                0.935196
               75             6              76            6                0.911576
               75             6              79            6                0.923087
               75             6              80            1                0.937703
               75             6              81            1                0.932565
               76             6              77            6                0.894253
               76             6              82            1                0.932776
               76             6              83            1                0.934838
               77             6              78            6                0.908735
               77             6              84            1                0.940658
               77             6              85            1                0.929068
               78             6              79            6                0.917088
               78             6              86            1                0.936180
               78             6              87            1                0.941621
               79             6              88            1                0.946662
               79             6              89            1                0.943373
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.1824405291
        Correlation Energy:       -5.0793062404
        Total MP2 Energy:      -1176.2617467695
# -----------------------------------------------------------
$ 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) :        0.1422189983
        Electronic Contribution:
                  0    
      0       0.648451
      1      -0.028912
      2      -0.621600
        Nuclear Contribution:
                  0    
      0      -0.626604
      1       0.080334
      2       0.618571
        Total Dipole moment:
                  0    
      0       0.021847
      1       0.051422
      2      -0.003029
# -----------------------------------------------------------
$ 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) :        0.1444476523
        Electronic Contribution:
                  0    
      0       0.647024
      1      -0.027373
      2      -0.621354
        Nuclear Contribution:
                  0    
      0      -0.626604
      1       0.080334
      2       0.618571
        Total Dipole moment:
                  0    
      0       0.020419
      1       0.052961
      2      -0.002783
# -----------------------------------------------------------
$ 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) :        0.1796235823
        Electronic Contribution:
                  0    
      0       0.625515
      1      -0.011331
      2      -0.603359
        Nuclear Contribution:
                  0    
      0      -0.626604
      1       0.080334
      2       0.618571
        Total Dipole moment:
                  0    
      0      -0.001089
      1       0.069003
      2       0.015212
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     25.960000000000   17.530000000000   16.920000000000
               1 C     25.050000000000   17.470000000000   18.180000000000
               2 C     23.590000000000   17.520000000000   17.810000000000
               3 C     23.500000000000   17.420000000000   16.240000000000
               4 C     24.960000000000   17.360000000000   15.690000000000
               5 H     26.630000000000   16.690000000000   17.120000000000
               6 H     26.590000000000   18.420000000000   16.810000000000
               7 H     25.240000000000   18.390000000000   18.820000000000
               8 H     25.370000000000   16.540000000000   18.700000000000
               9 H     23.140000000000   18.550000000000   18.110000000000
              10 H     23.010000000000   16.810000000000   18.460000000000
              11 H     23.050000000000   18.320000000000   15.840000000000
              12 H     22.780000000000   16.580000000000   15.980000000000
              13 H     25.050000000000   18.160000000000   14.960000000000
              14 H     25.160000000000   16.450000000000   15.180000000000
              15 C     17.110000000000   21.110000000000   24.540000000000
              16 C     15.610000000000   21.160000000000   24.190000000000
              17 C     15.400000000000   20.500000000000   22.850000000000
              18 C     16.820000000000   20.030000000000   22.290000000000
              19 C     17.810000000000   20.620000000000   23.280000000000
              20 H     17.260000000000   20.350000000000   25.270000000000
              21 H     17.550000000000   21.990000000000   24.990000000000
              22 H     15.070000000000   22.150000000000   24.230000000000
              23 H     15.130000000000   20.620000000000   25.010000000000
              24 H     15.060000000000   21.320000000000   22.210000000000
              25 H     14.560000000000   19.790000000000   23.050000000000
              26 H     16.900000000000   20.460000000000   21.310000000000
              27 H     16.870000000000   18.930000000000   22.310000000000
              28 H     18.300000000000   21.460000000000   22.820000000000
              29 H     18.550000000000   19.910000000000   23.570000000000
              30 C     20.450000000000   21.920000000000   20.630000000000
              31 C     19.830000000000   20.840000000000   19.790000000000
              32 C     20.820000000000   20.430000000000   18.780000000000
              33 C     22.110000000000   21.220000000000   19.020000000000
              34 C     21.820000000000   22.230000000000   20.090000000000
              35 H     20.460000000000   21.570000000000   21.660000000000
              36 H     19.820000000000   22.810000000000   20.800000000000
              37 H     18.910000000000   21.250000000000   19.320000000000
              38 H     19.520000000000   19.960000000000   20.390000000000
              39 H     20.580000000000   20.610000000000   17.670000000000
              40 H     20.980000000000   19.340000000000   18.790000000000
              41 H     22.190000000000   21.640000000000   18.010000000000
              42 H     22.880000000000   20.480000000000   19.280000000000
              43 H     21.890000000000   23.280000000000   19.800000000000
              44 H     22.530000000000   22.020000000000   20.900000000000
              45 C     22.050000000000   26.410000000000   21.360000000000
              46 C     21.770000000000   27.940000000000   21.620000000000
              47 C     22.500000000000   28.710000000000   20.480000000000
              48 C     22.780000000000   27.720000000000   19.400000000000
              49 C     22.560000000000   26.240000000000   19.970000000000
              50 H     21.150000000000   25.930000000000   21.380000000000
              51 H     22.680000000000   25.930000000000   22.090000000000
              52 H     22.020000000000   28.320000000000   22.580000000000
              53 H     20.690000000000   28.060000000000   21.500000000000
              54 H     23.390000000000   29.270000000000   20.830000000000
              55 H     21.720000000000   29.440000000000   20.070000000000
              56 H     23.760000000000   27.880000000000   19.020000000000
              57 H     22.180000000000   28.000000000000   18.550000000000
              58 H     23.530000000000   25.780000000000   19.900000000000
              59 H     21.850000000000   25.760000000000   19.360000000000
              60 C     20.340000000000   24.820000000000   15.840000000000
              61 C     19.820000000000   23.870000000000   16.920000000000
              62 C     19.310000000000   24.610000000000   18.080000000000
              63 C     19.720000000000   26.100000000000   17.890000000000
              64 C     20.530000000000   26.180000000000   16.570000000000
              65 H     19.530000000000   24.860000000000   15.080000000000
              66 H     21.260000000000   24.380000000000   15.440000000000
              67 H     20.670000000000   23.290000000000   17.340000000000
              68 H     19.050000000000   23.230000000000   16.560000000000
              69 H     19.860000000000   24.300000000000   19.000000000000
              70 H     18.250000000000   24.490000000000   18.180000000000
              71 H     20.180000000000   26.530000000000   18.760000000000
              72 H     18.900000000000   26.710000000000   17.790000000000
              73 H     21.580000000000   26.230000000000   16.900000000000
              74 H     20.310000000000   27.020000000000   15.920000000000
              75 C     14.950000000000   24.640000000000   21.300000000000
              76 C     16.190000000000   23.720000000000   21.440000000000
              77 C     17.500000000000   24.490000000000   21.010000000000
              78 C     17.100000000000   25.900000000000   20.560000000000
              79 C     15.520000000000   25.970000000000   20.680000000000
              80 H     14.520000000000   24.750000000000   22.320000000000
              81 H     14.120000000000   24.140000000000   20.720000000000
              82 H     15.990000000000   22.790000000000   20.800000000000
              83 H     16.300000000000   23.360000000000   22.500000000000
              84 H     17.900000000000   23.900000000000   20.140000000000
              85 H     18.320000000000   24.430000000000   21.750000000000
              86 H     17.480000000000   26.100000000000   19.540000000000
              87 H     17.510000000000   26.700000000000   21.150000000000
              88 H     15.120000000000   26.210000000000   19.750000000000
              89 H     15.330000000000   26.820000000000   21.320000000000
