-------------------------------------------------------------
----------------------- !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:    -1171.2080382486
# -----------------------------------------------------------
$ 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     6.1388     6.0000    -0.1388     3.9558     3.9558    -0.0000
  1   0     6.1638     6.0000    -0.1638     3.8831     3.8831    -0.0000
  2   0     6.1480     6.0000    -0.1480     3.8922     3.8922     0.0000
  3   0     6.2271     6.0000    -0.2271     3.8790     3.8790    -0.0000
  4   0     6.1621     6.0000    -0.1621     3.8700     3.8700    -0.0000
  5   0     0.9194     1.0000     0.0806     0.9734     0.9734    -0.0000
  6   0     0.9090     1.0000     0.0910     0.9787     0.9787    -0.0000
  7   0     0.9252     1.0000     0.0748     0.9791     0.9791    -0.0000
  8   0     0.9109     1.0000     0.0891     0.9749     0.9749    -0.0000
  9   0     0.9150     1.0000     0.0850     0.9747     0.9747     0.0000
 10   0     0.9104     1.0000     0.0896     0.9865     0.9865     0.0000
 11   0     0.9165     1.0000     0.0835     0.9741     0.9741    -0.0000
 12   0     0.9189     1.0000     0.0811     0.9649     0.9649    -0.0000
 13   0     0.9056     1.0000     0.0944     0.9716     0.9716     0.0000
 14   0     0.9269     1.0000     0.0731     0.9725     0.9725     0.0000
 15   0     6.1891     6.0000    -0.1891     3.8881     3.8881     0.0000
 16   0     6.1739     6.0000    -0.1739     3.8868     3.8868     0.0000
 17   0     6.1823     6.0000    -0.1823     3.9147     3.9147     0.0000
 18   0     6.1240     6.0000    -0.1240     3.9013     3.9013     0.0000
 19   0     6.1530     6.0000    -0.1530     3.9016     3.9016     0.0000
 20   0     0.9137     1.0000     0.0863     0.9717     0.9717     0.0000
 21   0     0.9191     1.0000     0.0809     0.9755     0.9755     0.0000
 22   0     0.9182     1.0000     0.0818     0.9725     0.9725     0.0000
 23   0     0.9148     1.0000     0.0852     0.9774     0.9774     0.0000
 24   0     0.9255     1.0000     0.0745     0.9745     0.9745     0.0000
 25   0     0.9018     1.0000     0.0982     0.9748     0.9748     0.0000
 26   0     0.9119     1.0000     0.0881     0.9748     0.9748     0.0000
 27   0     0.9294     1.0000     0.0706     0.9763     0.9763     0.0000
 28   0     0.9238     1.0000     0.0762     0.9763     0.9763    -0.0000
 29   0     0.9206     1.0000     0.0794     0.9772     0.9772    -0.0000
 30   0     6.1829     6.0000    -0.1829     3.8583     3.8583    -0.0000
 31   0     6.1360     6.0000    -0.1360     3.8802     3.8802    -0.0000
 32   0     6.1570     6.0000    -0.1570     3.8934     3.8934    -0.0000
 33   0     6.1454     6.0000    -0.1454     3.8858     3.8858    -0.0000
 34   0     6.1651     6.0000    -0.1651     3.8913     3.8913    -0.0000
 35   0     0.9049     1.0000     0.0951     0.9765     0.9765    -0.0000
 36   0     0.9419     1.0000     0.0581     0.9857     0.9857    -0.0000
 37   0     0.9280     1.0000     0.0720     0.9831     0.9831     0.0000
 38   0     0.9227     1.0000     0.0773     0.9777     0.9777    -0.0000
 39   0     0.9284     1.0000     0.0716     0.9773     0.9773    -0.0000
 40   0     0.9154     1.0000     0.0846     0.9763     0.9763    -0.0000
 41   0     0.9295     1.0000     0.0705     0.9784     0.9784    -0.0000
 42   0     0.9145     1.0000     0.0855     0.9807     0.9807    -0.0000
 43   0     0.9122     1.0000     0.0878     0.9775     0.9775    -0.0000
 44   0     0.9142     1.0000     0.0858     0.9821     0.9821     0.0000
 45   0     6.0891     6.0000    -0.0891     3.8784     3.8784    -0.0000
 46   0     6.2268     6.0000    -0.2268     3.9136     3.9136    -0.0000
 47   0     6.1347     6.0000    -0.1347     3.8959     3.8959     0.0000
 48   0     6.2119     6.0000    -0.2119     3.9219     3.9219     0.0000
 49   0     6.0848     6.0000    -0.0848     3.8745     3.8745    -0.0000
 50   0     0.9257     1.0000     0.0743     0.9742     0.9742    -0.0000
 51   0     0.9581     1.0000     0.0419     0.9956     0.9956    -0.0000
 52   0     0.9026     1.0000     0.0974     0.9685     0.9685    -0.0000
 53   0     0.9283     1.0000     0.0717     0.9750     0.9750    -0.0000
 54   0     0.9229     1.0000     0.0771     0.9777     0.9777    -0.0000
 55   0     0.9064     1.0000     0.0936     0.9801     0.9801     0.0000
 56   0     0.9165     1.0000     0.0835     0.9707     0.9707    -0.0000
 57   0     0.9191     1.0000     0.0809     0.9722     0.9722     0.0000
 58   0     0.9657     1.0000     0.0343     0.9933     0.9933    -0.0000
 59   0     0.9134     1.0000     0.0866     0.9765     0.9765    -0.0000
 60   0     6.1608     6.0000    -0.1608     3.8679     3.8679    -0.0000
 61   0     6.1893     6.0000    -0.1893     3.9030     3.9030    -0.0000
 62   0     6.1322     6.0000    -0.1322     3.8543     3.8543     0.0000
 63   0     6.2071     6.0000    -0.2071     3.8867     3.8867    -0.0000
 64   0     6.1670     6.0000    -0.1670     3.8699     3.8699     0.0000
 65   0     0.9253     1.0000     0.0747     0.9837     0.9837    -0.0000
 66   0     0.9079     1.0000     0.0921     0.9739     0.9739    -0.0000
 67   0     0.9132     1.0000     0.0868     0.9772     0.9772    -0.0000
 68   0     0.9212     1.0000     0.0788     0.9722     0.9722    -0.0000
 69   0     0.9070     1.0000     0.0930     0.9758     0.9758     0.0000
 70   0     0.9281     1.0000     0.0719     0.9757     0.9757    -0.0000
 71   0     0.9057     1.0000     0.0943     0.9743     0.9743    -0.0000
 72   0     0.9148     1.0000     0.0852     0.9721     0.9721    -0.0000
 73   0     0.9123     1.0000     0.0877     0.9764     0.9764     0.0000
 74   0     0.9019     1.0000     0.0981     0.9665     0.9665     0.0000
 75   0     6.1954     6.0000    -0.1954     3.9148     3.9148     0.0000
 76   0     6.1923     6.0000    -0.1923     3.8958     3.8958     0.0000
 77   0     6.1925     6.0000    -0.1925     3.8784     3.8784    -0.0000
 78   0     6.0993     6.0000    -0.0993     3.8919     3.8919     0.0000
 79   0     6.1335     6.0000    -0.1335     3.8989     3.8989     0.0000
 80   0     0.9064     1.0000     0.0936     0.9702     0.9702    -0.0000
 81   0     0.9194     1.0000     0.0806     0.9755     0.9755     0.0000
 82   0     0.9084     1.0000     0.0916     0.9738     0.9738     0.0000
 83   0     0.9172     1.0000     0.0828     0.9750     0.9750     0.0000
 84   0     0.9138     1.0000     0.0862     0.9754     0.9754    -0.0000
 85   0     0.9246     1.0000     0.0754     0.9763     0.9763    -0.0000
 86   0     0.9121     1.0000     0.0879     0.9771     0.9771     0.0000
 87   0     0.9664     1.0000     0.0336     1.0064     1.0064    -0.0000
 88   0     0.9061     1.0000     0.0939     0.9760     0.9760    -0.0000
 89   0     0.9161     1.0000     0.0839     0.9806     0.9806    -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                0.988685
                0             6               4            6                0.990546
                0             6               5            1                0.989459
                0             6               6            1                0.988708
                1             6               2            6                0.968833
                1             6               7            1                0.998220
                1             6               8            1                0.983792
                2             6               3            6                0.971271
                2             6               9            1                0.990884
                2             6              10            1                0.993714
                3             6               4            6                0.942390
                3             6              11            1                0.998934
                3             6              12            1                0.994453
                4             6              13            1                0.986603
                4             6              14            1                1.000163
               15             6              16            6                0.956792
               15             6              19            6                0.972413
               15             6              20            1                0.987681
               15             6              21            1                1.001305
               16             6              17            6                0.979773
               16             6              22            1                0.996151
               16             6              23            1                0.992649
               17             6              18            6                0.979915
               17             6              24            1                0.989527
               17             6              25            1                0.984095
               18             6              19            6                0.978673
               18             6              26            1                0.991628
               18             6              27            1                0.992455
               19             6              28            1                0.994057
               19             6              29            1                0.988450
               30             6              31            6                0.963181
               30             6              34            6                0.955139
               30             6              35            1                0.987048
               30             6              36            1                1.002952
               31             6              32            6                0.969268
               31             6              37            1                0.996140
               31             6              38            1                0.991550
               32             6              33            6                0.973200
               32             6              39            1                0.997200
               32             6              40            1                0.990787
               33             6              34            6                0.972799
               33             6              41            1                0.994890
               33             6              42            1                0.986800
               34             6              43            1                0.995068
               34             6              44            1                0.991753
               45             6              46            6                0.971905
               45             6              49            6                0.966491
               45             6              50            1                0.986441
               45             6              51            1                0.997228
               46             6              47            6                0.967067
               46             6              52            1                0.990205
               46             6              53            1                0.995097
               47             6              48            6                0.982947
               47             6              54            1                0.993544
               47             6              55            1                0.986796
               48             6              49            6                0.965072
               48             6              56            1                0.994947
               48             6              57            1                0.992984
               49             6              58            1                1.008535
               49             6              59            1                0.986896
               60             6              61            6                0.963308
               60             6              64            6                0.958083
               60             6              65            1                1.001757
               60             6              66            1                0.989222
               61             6              62            6                0.964396
               61             6              67            1                0.992363
               61             6              68            1                0.997267
               62             6              63            6                0.950272
               62             6              69            1                0.987838
               62             6              70            1                1.005279
               63             6              64            6                0.966084
               63             6              71            1                0.986029
               63             6              72            1                1.004536
               64             6              73            1                0.989743
               64             6              74            1                0.991020
               75             6              76            6                0.980546
               75             6              79            6                0.978229
               75             6              80            1                0.987462
               75             6              81            1                0.989381
               76             6              77            6                0.955284
               76             6              82            1                0.991598
               76             6              83            1                0.998975
               77             6              78            6                0.966659
               77             6              84            1                0.985452
               77             6              85            1                1.000084
               78             6              79            6                0.979713
               78             6              86            1                0.981253
               78             6              87            1                1.006430
               79             6              88            1                0.981677
               79             6              89            1                0.985171
# -----------------------------------------------------------
$ 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     6.1475     6.0000    -0.1475     4.0631     3.7381     0.3250
  1   0     6.1709     6.0000    -0.1709     3.9939     3.6626     0.3313
  2   0     6.1556     6.0000    -0.1556     4.0027     3.6703     0.3324
  3   0     6.2345     6.0000    -0.2345     3.9950     3.6594     0.3356
  4   0     6.1694     6.0000    -0.1694     3.9821     3.6591     0.3230
  5   0     0.9154     1.0000     0.0846     0.9826     0.9287     0.0539
  6   0     0.9052     1.0000     0.0948     0.9876     0.9377     0.0499
  7   0     0.9213     1.0000     0.0787     0.9891     0.9354     0.0537
  8   0     0.9073     1.0000     0.0927     0.9846     0.9289     0.0557
  9   0     0.9111     1.0000     0.0889     0.9840     0.9293     0.0547
 10   0     0.9067     1.0000     0.0933     0.9954     0.9425     0.0529
 11   0     0.9126     1.0000     0.0874     0.9837     0.9302     0.0535
 12   0     0.9151     1.0000     0.0849     0.9749     0.9208     0.0541
 13   0     0.9021     1.0000     0.0979     0.9815     0.9306     0.0509
 14   0     0.9229     1.0000     0.0771     0.9822     0.9295     0.0527
 15   0     6.1973     6.0000    -0.1973     4.0004     3.6783     0.3221
 16   0     6.1822     6.0000    -0.1822     3.9993     3.6706     0.3287
 17   0     6.1899     6.0000    -0.1899     4.0240     3.6944     0.3296
 18   0     6.1322     6.0000    -0.1322     4.0082     3.6964     0.3118
 19   0     6.1597     6.0000    -0.1597     4.0062     3.6986     0.3076
 20   0     0.9099     1.0000     0.0901     0.9811     0.9291     0.0520
 21   0     0.9150     1.0000     0.0850     0.9845     0.9345     0.0500
 22   0     0.9144     1.0000     0.0856     0.9820     0.9291     0.0529
 23   0     0.9111     1.0000     0.0889     0.9868     0.9352     0.0516
 24   0     0.9217     1.0000     0.0783     0.9843     0.9272     0.0571
 25   0     0.8980     1.0000     0.1020     0.9835     0.9328     0.0507
 26   0     0.9080     1.0000     0.0920     0.9840     0.9332     0.0508
 27   0     0.9255     1.0000     0.0745     0.9862     0.9341     0.0521
 28   0     0.9199     1.0000     0.0801     0.9859     0.9346     0.0513
 29   0     0.9167     1.0000     0.0833     0.9868     0.9334     0.0534
 30   0     6.1901     6.0000    -0.1901     3.9700     3.6461     0.3239
 31   0     6.1444     6.0000    -0.1444     3.9885     3.6743     0.3142
 32   0     6.1651     6.0000    -0.1651     4.0013     3.6824     0.3189
 33   0     6.1530     6.0000    -0.1530     3.9932     3.6710     0.3222
 34   0     6.1725     6.0000    -0.1725     4.0008     3.6798     0.3210
 35   0     0.9008     1.0000     0.0992     0.9850     0.9344     0.0506
 36   0     0.9391     1.0000     0.0609     0.9980     0.9425     0.0555
 37   0     0.9238     1.0000     0.0762     0.9923     0.9434     0.0489
 38   0     0.9187     1.0000     0.0813     0.9871     0.9346     0.0525
 39   0     0.9244     1.0000     0.0756     0.9869     0.9331     0.0538
 40   0     0.9115     1.0000     0.0885     0.9856     0.9339     0.0517
 41   0     0.9256     1.0000     0.0744     0.9882     0.9345     0.0537
 42   0     0.9107     1.0000     0.0893     0.9900     0.9374     0.0526
 43   0     0.9082     1.0000     0.0918     0.9865     0.9360     0.0505
 44   0     0.9104     1.0000     0.0896     0.9914     0.9413     0.0501
 45   0     6.0965     6.0000    -0.0965     3.9819     3.6685     0.3134
 46   0     6.2341     6.0000    -0.2341     4.0267     3.7000     0.3267
 47   0     6.1421     6.0000    -0.1421     4.0039     3.6783     0.3256
 48   0     6.2200     6.0000    -0.2200     4.0334     3.7097     0.3237
 49   0     6.0923     6.0000    -0.0923     3.9769     3.6682     0.3087
 50   0     0.9217     1.0000     0.0783     0.9839     0.9297     0.0542
 51   0     0.9545     1.0000     0.0455     1.0070     0.9527     0.0543
 52   0     0.8989     1.0000     0.1011     0.9777     0.9287     0.0490
 53   0     0.9242     1.0000     0.0758     0.9849     0.9307     0.0542
 54   0     0.9192     1.0000     0.0808     0.9875     0.9335     0.0540
 55   0     0.9027     1.0000     0.0973     0.9892     0.9397     0.0495
 56   0     0.9126     1.0000     0.0874     0.9799     0.9267     0.0532
 57   0     0.9153     1.0000     0.0847     0.9819     0.9285     0.0534
 58   0     0.9622     1.0000     0.0378     1.0050     0.9517     0.0533
 59   0     0.9093     1.0000     0.0907     0.9854     0.9350     0.0504
 60   0     6.1686     6.0000    -0.1686     3.9788     3.6565     0.3223
 61   0     6.1968     6.0000    -0.1968     4.0121     3.6939     0.3182
 62   0     6.1397     6.0000    -0.1397     3.9621     3.6487     0.3134
 63   0     6.2153     6.0000    -0.2153     4.0006     3.6728     0.3278
 64   0     6.1748     6.0000    -0.1748     3.9812     3.6577     0.3235
 65   0     0.9216     1.0000     0.0784     0.9935     0.9402     0.0533
 66   0     0.9040     1.0000     0.0960     0.9830     0.9325     0.0505
 67   0     0.9094     1.0000     0.0906     0.9864     0.9351     0.0513
 68   0     0.9174     1.0000     0.0826     0.9818     0.9283     0.0535
 69   0     0.9031     1.0000     0.0969     0.9848     0.9353     0.0495
 70   0     0.9242     1.0000     0.0758     0.9854     0.9336     0.0518
 71   0     0.9017     1.0000     0.0983     0.9832     0.9336     0.0496
 72   0     0.9109     1.0000     0.0891     0.9814     0.9294     0.0520
 73   0     0.9082     1.0000     0.0918     0.9855     0.9347     0.0508
 74   0     0.8981     1.0000     0.1019     0.9754     0.9247     0.0507
 75   0     6.2034     6.0000    -0.2034     4.0271     3.6989     0.3282
 76   0     6.2001     6.0000    -0.2001     4.0077     3.6819     0.3258
 77   0     6.2000     6.0000    -0.2000     3.9894     3.6660     0.3234
 78   0     6.1071     6.0000    -0.1071     3.9976     3.6732     0.3244
 79   0     6.1411     6.0000    -0.1411     4.0068     3.6850     0.3218
 80   0     0.9026     1.0000     0.0974     0.9794     0.9266     0.0528
 81   0     0.9154     1.0000     0.0846     0.9850     0.9306     0.0544
 82   0     0.9047     1.0000     0.0953     0.9830     0.9295     0.0535
 83   0     0.9134     1.0000     0.0866     0.9845     0.9323     0.0522
 84   0     0.9100     1.0000     0.0900     0.9848     0.9308     0.0540
 85   0     0.9208     1.0000     0.0792     0.9863     0.9336     0.0527
 86   0     0.9079     1.0000     0.0921     0.9862     0.9339     0.0523
 87   0     0.9627     1.0000     0.0373     1.0173     0.9624     0.0549
 88   0     0.9022     1.0000     0.0978     0.9850     0.9333     0.0517
 89   0     0.9121     1.0000     0.0879     0.9897     0.9378     0.0519
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.921611
                0             6               4            6                0.927308
                0             6               5            1                0.945922
                0             6               6            1                0.949194
                1             6               2            6                0.905234
                1             6               7            1                0.955471
                1             6               8            1                0.938823
                2             6               3            6                0.903660
                2             6               9            1                0.946549
                2             6              10            1                0.950950
                3             6               4            6                0.879308
                3             6              11            1                0.955821
                3             6              12            1                0.951348
                4             6              13            1                0.946967
                4             6              14            1                0.957522
               15             6              16            6                0.892320
               15             6              19            6                0.912093
               15             6              20            1                0.946275
               15             6              21            1                0.961192
               16             6              17            6                0.913791
               16             6              22            1                0.953741
               16             6              23            1                0.951810
               17             6              18            6                0.915772
               17             6              24            1                0.943597
               17             6              25            1                0.943745
               18             6              19            6                0.922305
               18             6              26            1                0.951554
               18             6              27            1                0.951598
               19             6              28            1                0.953681
               19             6              29            1                0.946333
               30             6              31            6                0.901126
               30             6              34            6                0.891286
               30             6              35            1                0.946282
               30             6              36            1                0.960502
               31             6              32            6                0.908764
               31             6              37            1                0.957571
               31             6              38            1                0.949753
               32             6              33            6                0.909539
               32             6              39            1                0.954089
               32             6              40            1                0.949958
               33             6              34            6                0.908833
               33             6              41            1                0.952149
               33             6              42            1                0.945147
               34             6              43            1                0.954624
               34             6              44            1                0.952367
               45             6              46            6                0.912255
               45             6              49            6                0.904203
               45             6              50            1                0.943182
               45             6              51            1                0.955686
               46             6              47            6                0.898799
               46             6              52            1                0.951287
               46             6              53            1                0.951914
               47             6              48            6                0.918960
               47             6              54            1                0.950352
               47             6              55            1                0.948024
               48             6              49            6                0.905153
               48             6              56            1                0.952229
               48             6              57            1                0.950706
               49             6              58            1                0.967623
               49             6              59            1                0.946810
               60             6              61            6                0.900446
               60             6              64            6                0.895159
               60             6              65            1                0.959399
               60             6              66            1                0.949141
               61             6              62            6                0.905697
               61             6              67            1                0.951704
               61             6              68            1                0.954441
               62             6              63            6                0.886356
               62             6              69            1                0.948889
               62             6              70            1                0.963909
               63             6              64            6                0.900998
               63             6              71            1                0.946870
               63             6              72            1                0.962598
               64             6              73            1                0.949435
               64             6              74            1                0.950285
               75             6              76            6                0.915882
               75             6              79            6                0.916396
               75             6              80            1                0.945297
               75             6              81            1                0.946077
               76             6              77            6                0.893996
               76             6              82            1                0.948850
               76             6              83            1                0.957384
               77             6              78            6                0.903318
               77             6              84            1                0.942549
               77             6              85            1                0.958336
               78             6              79            6                0.913484
               78             6              86            1                0.939383
               78             6              87            1                0.963021
               79             6              88            1                0.940757
               79             6              89            1                0.944205
# -----------------------------------------------------------
$ 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     6.2009     6.0000    -0.2009     4.0413     3.7204     0.3209
  1   0     6.2188     6.0000    -0.2188     3.9828     3.6561     0.3267
  2   0     6.2091     6.0000    -0.2091     3.9887     3.6608     0.3279
  3   0     6.2734     6.0000    -0.2734     3.9748     3.6439     0.3309
  4   0     6.2293     6.0000    -0.2293     3.9767     3.6579     0.3188
  5   0     0.8920     1.0000     0.1080     0.9750     0.9221     0.0529
  6   0     0.8833     1.0000     0.1167     0.9807     0.9318     0.0489
  7   0     0.8962     1.0000     0.1038     0.9802     0.9277     0.0525
  8   0     0.8821     1.0000     0.1179     0.9776     0.9231     0.0545
  9   0     0.8892     1.0000     0.1108     0.9759     0.9222     0.0537
 10   0     0.8752     1.0000     0.1248     0.9872     0.9357     0.0515
 11   0     0.8855     1.0000     0.1145     0.9748     0.9226     0.0522
 12   0     0.8915     1.0000     0.1085     0.9723     0.9195     0.0528
 13   0     0.8792     1.0000     0.1208     0.9779     0.9281     0.0498
 14   0     0.8896     1.0000     0.1104     0.9697     0.9184     0.0513
 15   0     6.2526     6.0000    -0.2526     3.9906     3.6726     0.3180
 16   0     6.2325     6.0000    -0.2325     3.9857     3.6609     0.3248
 17   0     6.2278     6.0000    -0.2278     4.0096     3.6844     0.3252
 18   0     6.1909     6.0000    -0.1909     4.0046     3.6968     0.3078
 19   0     6.2041     6.0000    -0.2041     3.9899     3.6867     0.3032
 20   0     0.8849     1.0000     0.1151     0.9730     0.9221     0.0509
 21   0     0.8870     1.0000     0.1130     0.9749     0.9262     0.0487
 22   0     0.8894     1.0000     0.1106     0.9733     0.9214     0.0519
 23   0     0.8863     1.0000     0.1137     0.9781     0.9275     0.0506
 24   0     0.8992     1.0000     0.1008     0.9764     0.9202     0.0562
 25   0     0.8792     1.0000     0.1208     0.9776     0.9278     0.0498
 26   0     0.8831     1.0000     0.1169     0.9745     0.9248     0.0497
 27   0     0.8986     1.0000     0.1014     0.9769     0.9259     0.0510
 28   0     0.8955     1.0000     0.1045     0.9780     0.9277     0.0503
 29   0     0.8911     1.0000     0.1089     0.9796     0.9274     0.0522
 30   0     6.2469     6.0000    -0.2469     3.9605     3.6410     0.3195
 31   0     6.2068     6.0000    -0.2068     3.9704     3.6604     0.3100
 32   0     6.2108     6.0000    -0.2108     3.9715     3.6568     0.3147
 33   0     6.2001     6.0000    -0.2001     3.9733     3.6554     0.3179
 34   0     6.2223     6.0000    -0.2223     3.9804     3.6634     0.3170
 35   0     0.8756     1.0000     0.1244     0.9768     0.9274     0.0494
 36   0     0.9093     1.0000     0.0907     0.9927     0.9387     0.0540
 37   0     0.8952     1.0000     0.1048     0.9875     0.9398     0.0477
 38   0     0.8919     1.0000     0.1081     0.9783     0.9269     0.0514
 39   0     0.8974     1.0000     0.1026     0.9801     0.9275     0.0526
 40   0     0.8890     1.0000     0.1110     0.9796     0.9289     0.0507
 41   0     0.9008     1.0000     0.0992     0.9814     0.9287     0.0527
 42   0     0.8883     1.0000     0.1117     0.9829     0.9313     0.0516
 43   0     0.8816     1.0000     0.1184     0.9786     0.9292     0.0494
 44   0     0.8870     1.0000     0.1130     0.9828     0.9337     0.0491
 45   0     6.1508     6.0000    -0.1508     3.9574     3.6483     0.3091
 46   0     6.2742     6.0000    -0.2742     4.0113     3.6893     0.3220
 47   0     6.1972     6.0000    -0.1972     3.9881     3.6663     0.3218
 48   0     6.2596     6.0000    -0.2596     4.0058     3.6866     0.3192
 49   0     6.1596     6.0000    -0.1596     3.9590     3.6541     0.3049
 50   0     0.8969     1.0000     0.1031     0.9756     0.9225     0.0531
 51   0     0.9257     1.0000     0.0743     1.0083     0.9554     0.0529
 52   0     0.8756     1.0000     0.1244     0.9745     0.9267     0.0478
 53   0     0.8998     1.0000     0.1002     0.9773     0.9242     0.0531
 54   0     0.8937     1.0000     0.1063     0.9795     0.9266     0.0529
 55   0     0.8800     1.0000     0.1200     0.9826     0.9342     0.0484
 56   0     0.8858     1.0000     0.1142     0.9716     0.9196     0.0520
 57   0     0.8905     1.0000     0.1095     0.9737     0.9213     0.0524
 58   0     0.9305     1.0000     0.0695     1.0011     0.9491     0.0520
 59   0     0.8857     1.0000     0.1143     0.9779     0.9286     0.0493
 60   0     6.2233     6.0000    -0.2233     3.9665     3.6481     0.3184
 61   0     6.2388     6.0000    -0.2388     3.9904     3.6764     0.3140
 62   0     6.1982     6.0000    -0.1982     3.9540     3.6445     0.3095
 63   0     6.2609     6.0000    -0.2609     3.9780     3.6542     0.3238
 64   0     6.2265     6.0000    -0.2265     3.9694     3.6499     0.3195
 65   0     0.8910     1.0000     0.1090     0.9839     0.9320     0.0519
 66   0     0.8810     1.0000     0.1190     0.9755     0.9260     0.0495
 67   0     0.8845     1.0000     0.1155     0.9774     0.9272     0.0502
 68   0     0.8916     1.0000     0.1084     0.9747     0.9223     0.0524
 69   0     0.8808     1.0000     0.1192     0.9773     0.9288     0.0485
 70   0     0.8948     1.0000     0.1052     0.9777     0.9271     0.0506
 71   0     0.8798     1.0000     0.1202     0.9761     0.9275     0.0486
 72   0     0.8821     1.0000     0.1179     0.9720     0.9213     0.0507
 73   0     0.8862     1.0000     0.1138     0.9771     0.9273     0.0498
 74   0     0.8736     1.0000     0.1264     0.9720     0.9225     0.0495
 75   0     6.2456     6.0000    -0.2456     4.0145     3.6908     0.3237
 76   0     6.2434     6.0000    -0.2434     3.9982     3.6768     0.3214
 77   0     6.2394     6.0000    -0.2394     3.9863     3.6676     0.3187
 78   0     6.1721     6.0000    -0.1721     4.0014     3.6812     0.3202
 79   0     6.1849     6.0000    -0.1849     3.9924     3.6748     0.3176
 80   0     0.8814     1.0000     0.1186     0.9732     0.9214     0.0518
 81   0     0.8919     1.0000     0.1081     0.9749     0.9215     0.0534
 82   0     0.8828     1.0000     0.1172     0.9739     0.9214     0.0525
 83   0     0.8886     1.0000     0.1114     0.9756     0.9245     0.0511
 84   0     0.8887     1.0000     0.1113     0.9768     0.9238     0.0530
 85   0     0.8960     1.0000     0.1040     0.9792     0.9277     0.0515
 86   0     0.8884     1.0000     0.1116     0.9784     0.9271     0.0513
 87   0     0.9244     1.0000     0.0756     1.0063     0.9528     0.0535
 88   0     0.8838     1.0000     0.1162     0.9790     0.9281     0.0509
 89   0     0.8891     1.0000     0.1109     0.9815     0.9307     0.0508
      Bond orders larger than 0.1000000
           Atom A     A.N. of A          Atom B    A.N. of B              Bond order
                0             6               1            6                0.927652
                0             6               4            6                0.931806
                0             6               5            1                0.931422
                0             6               6            1                0.937598
                1             6               2            6                0.916167
                1             6               7            1                0.941760
                1             6               8            1                0.924835
                2             6               3            6                0.909192
                2             6               9            1                0.930420
                2             6              10            1                0.936274
                3             6               4            6                0.887594
                3             6              11            1                0.941837
                3             6              12            1                0.938802
                4             6              13            1                0.935345
                4             6              14            1                0.947450
               15             6              16            6                0.900809
               15             6              19            6                0.917952
               15             6              20            1                0.933445
               15             6              21            1                0.949467
               16             6              17            6                0.923017
               16             6              22            1                0.941157
               16             6              23            1                0.938683
               17             6              18            6                0.925896
               17             6              24            1                0.927476
               17             6              25            1                0.932990
               18             6              19            6                0.940528
               18             6              26            1                0.935779
               18             6              27            1                0.938180
               19             6              28            1                0.938664
               19             6              29            1                0.930620
               30             6              31            6                0.906854
               30             6              34            6                0.898059
               30             6              35            1                0.934309
               30             6              36            1                0.949199
               31             6              32            6                0.913176
               31             6              37            1                0.949436
               31             6              38            1                0.933454
               32             6              33            6                0.915363
               32             6              39            1                0.942739
               32             6              40            1                0.934477
               33             6              34            6                0.916386
               33             6              41            1                0.941396
               33             6              42            1                0.931483
               34             6              43            1                0.943990
               34             6              44            1                0.937862
               45             6              46            6                0.922077
               45             6              49            6                0.908373
               45             6              50            1                0.927942
               45             6              51            1                0.945402
               46             6              47            6                0.902140
               46             6              52            1                0.942315
               46             6              53            1                0.936691
               47             6              48            6                0.926998
               47             6              54            1                0.938076
               47             6              55            1                0.937533
               48             6              49            6                0.913670
               48             6              56            1                0.937494
               48             6              57            1                0.933799
               49             6              58            1                0.956909
               49             6              59            1                0.932735
               60             6              61            6                0.908031
               60             6              64            6                0.904764
               60             6              65            1                0.946379
               60             6              66            1                0.936085
               61             6              62            6                0.918111
               61             6              67            1                0.938229
               61             6              68            1                0.940021
               62             6              63            6                0.893766
               62             6              69            1                0.934502
               62             6              70            1                0.953324
               63             6              64            6                0.904470
               63             6              71            1                0.934745
               63             6              72            1                0.949384
               64             6              73            1                0.935247
               64             6              74            1                0.940413
               75             6              76            6                0.927688
               75             6              79            6                0.927826
               75             6              80            1                0.930875
               75             6              81            1                0.929292
               76             6              77            6                0.909856
               76             6              82            1                0.931416
               76             6              83            1                0.942374
               77             6              78            6                0.919411
               77             6              84            1                0.927279
               77             6              85            1                0.945729
               78             6              79            6                0.922900
               78             6              86            1                0.925442
               78             6              87            1                0.949875
               79             6              88            1                0.926382
               79             6              89            1                0.930991
# -----------------------------------------------------------
$ MP2_Energies
   description: The MP2 energies
   geom. index: 1
   prop. index: 1
        Reference Energy:      -1171.2080382486
        Correlation Energy:       -5.0665200871
        Total MP2 Energy:      -1176.2745583357
# -----------------------------------------------------------
$ 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) :        0.2234071495
        Electronic Contribution:
                  0    
      0      -0.962285
      1       0.215792
      2       0.782464
        Nuclear Contribution:
                  0    
      0       1.012207
      1      -0.144601
      2      -0.795306
        Total Dipole moment:
                  0    
      0       0.049922
      1       0.071191
      2      -0.012842
# -----------------------------------------------------------
$ 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) :        0.2252460698
        Electronic Contribution:
                  0    
      0      -0.960572
      1       0.215175
      2       0.780950
        Nuclear Contribution:
                  0    
      0       1.012207
      1      -0.144601
      2      -0.795306
        Total Dipole moment:
                  0    
      0       0.051635
      1       0.070574
      2      -0.014356
# -----------------------------------------------------------
$ 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) :        0.1922898608
        Electronic Contribution:
                  0    
      0      -0.954791
      1       0.182609
      2       0.763970
        Nuclear Contribution:
                  0    
      0       1.012207
      1      -0.144601
      2      -0.795306
        Total Dipole moment:
                  0    
      0       0.057416
      1       0.038008
      2      -0.031336
# -------------------------------------------------------------
----------------------- !GEOMETRIES! ------------------------
# -------------------------------------------------------------
------------------------ !GEOMETRY! -------------------------
    Number of atoms:    90 
    Geometry Index:     1 
    Coordinates:
               0 C     16.970000000000   19.780000000000   15.810000000000
               1 C     15.630000000000   18.920000000000   15.750000000000
               2 C     15.190000000000   18.660000000000   14.270000000000
               3 C     16.340000000000   19.320000000000   13.390000000000
               4 C     17.340000000000   20.060000000000   14.340000000000
               5 H     17.770000000000   19.110000000000   16.240000000000
               6 H     16.810000000000   20.670000000000   16.390000000000
               7 H     14.860000000000   19.470000000000   16.310000000000
               8 H     15.710000000000   17.940000000000   16.330000000000
               9 H     14.300000000000   19.260000000000   13.920000000000
              10 H     15.030000000000   17.620000000000   13.920000000000
              11 H     15.850000000000   20.020000000000   12.700000000000
              12 H     16.850000000000   18.610000000000   12.720000000000
              13 H     17.620000000000   21.070000000000   14.160000000000
              14 H     18.250000000000   19.520000000000   14.170000000000
              15 C     14.280000000000   16.950000000000   18.410000000000
              16 C     14.080000000000   15.730000000000   19.390000000000
              17 C     12.770000000000   16.020000000000   20.230000000000
              18 C     12.270000000000   17.380000000000   19.650000000000
              19 C     13.340000000000   18.010000000000   18.900000000000
              20 H     14.150000000000   16.590000000000   17.380000000000
              21 H     15.290000000000   17.250000000000   18.520000000000
              22 H     14.940000000000   15.610000000000   20.070000000000
              23 H     14.050000000000   14.770000000000   18.890000000000
              24 H     13.150000000000   16.220000000000   21.320000000000
              25 H     12.020000000000   15.220000000000   20.180000000000
              26 H     11.770000000000   17.980000000000   20.400000000000
              27 H     11.450000000000   17.180000000000   18.980000000000
              28 H     13.990000000000   18.670000000000   19.450000000000
              29 H     12.990000000000   18.590000000000   18.020000000000
              30 C     15.580000000000   15.360000000000   12.350000000000
              31 C     15.790000000000   14.570000000000   11.060000000000
              32 C     17.040000000000   13.750000000000   11.220000000000
              33 C     17.720000000000   14.170000000000   12.530000000000
              34 C     16.740000000000   15.040000000000   13.360000000000
              35 H     14.560000000000   15.200000000000   12.700000000000
              36 H     15.700000000000   16.400000000000   12.160000000000
              37 H     15.890000000000   15.180000000000   10.230000000000
              38 H     14.890000000000   13.940000000000   10.970000000000
              39 H     17.730000000000   14.060000000000   10.400000000000
              40 H     16.820000000000   12.670000000000   11.230000000000
              41 H     18.530000000000   14.860000000000   12.220000000000
              42 H     18.030000000000   13.210000000000   12.990000000000
              43 H     17.320000000000   15.880000000000   13.700000000000
              44 H     16.420000000000   14.480000000000   14.210000000000
              45 C     20.650000000000   21.120000000000   11.920000000000
              46 C     19.250000000000   20.820000000000   11.500000000000
              47 C     19.170000000000   21.400000000000    9.980000000000
              48 C     20.590000000000   21.900000000000    9.590000000000
              49 C     21.400000000000   21.880000000000   10.840000000000
              50 H     21.250000000000   20.180000000000   12.020000000000
              51 H     20.690000000000   21.700000000000   12.820000000000
              52 H     18.490000000000   21.200000000000   12.100000000000
              53 H     19.060000000000   19.720000000000   11.480000000000
              54 H     18.530000000000   22.300000000000   10.100000000000
              55 H     18.820000000000   20.740000000000    9.230000000000
              56 H     20.560000000000   22.900000000000    9.110000000000
              57 H     21.100000000000   21.330000000000    8.780000000000
              58 H     21.440000000000   22.860000000000   11.190000000000
              59 H     22.420000000000   21.530000000000   10.700000000000
              60 C     19.950000000000   23.920000000000   14.820000000000
              61 C     19.360000000000   24.790000000000   13.680000000000
              62 C     20.490000000000   25.330000000000   12.880000000000
              63 C     21.860000000000   24.830000000000   13.460000000000
              64 C     21.490000000000   23.800000000000   14.590000000000
              65 H     19.460000000000   22.940000000000   14.870000000000
              66 H     19.590000000000   24.390000000000   15.710000000000
              67 H     18.720000000000   25.600000000000   14.030000000000
              68 H     18.730000000000   24.250000000000   12.950000000000
              69 H     20.550000000000   26.380000000000   12.700000000000
              70 H     20.530000000000   24.900000000000   11.910000000000
              71 H     22.590000000000   25.530000000000   13.810000000000
              72 H     22.430000000000   24.240000000000   12.760000000000
              73 H     22.060000000000   24.070000000000   15.470000000000
              74 H     21.700000000000   22.760000000000   14.380000000000
              75 C     14.590000000000   17.560000000000    7.630000000000
              76 C     15.310000000000   18.830000000000    8.200000000000
              77 C     14.970000000000   18.830000000000    9.690000000000
              78 C     13.930000000000   17.720000000000    9.900000000000
              79 C     13.330000000000   17.410000000000    8.470000000000
              80 H     15.260000000000   16.670000000000    7.590000000000
              81 H     14.320000000000   17.740000000000    6.550000000000
              82 H     15.060000000000   19.700000000000    7.540000000000
              83 H     16.390000000000   18.840000000000    8.110000000000
              84 H     14.610000000000   19.810000000000   10.120000000000
              85 H     15.870000000000   18.600000000000   10.240000000000
              86 H     13.120000000000   18.060000000000   10.580000000000
              87 H     14.470000000000   16.860000000000   10.300000000000
              88 H     12.520000000000   18.130000000000    8.200000000000
              89 H     13.020000000000   16.360000000000    8.400000000000
