%nprocshared=12
%mem=40Gb

#p BP86/gen maxdisk=150Gb  EmpiricalDispersion=GD2

Optimization of glucose

0 1
Mo    9.071156   13.376272    8.475459
Mo    7.403605   10.251570    7.481471
Mo   11.099970   10.574900    7.126544
Mo   11.132840   13.813920   11.338214
Mo    7.602859   13.001819   11.715726
Mo    7.994020    7.221899    9.452198
Mo   11.670890    7.816377    9.050688
Mo   11.446802   10.707464   13.306112
Mo    8.117410    9.896848   13.664906
Mo   10.133064    7.418292   12.392159
Mo    6.019044    9.821533   10.613768
Mo   12.993133   10.836554    9.958560
 P    9.497451   10.347450   10.350129
 O    8.760839   14.588269    7.346248
 O    6.660735   10.307323    5.969719
 O   11.529234   10.870156    5.525584
 O   11.244942   15.014627   12.866315
 O    6.427538   14.008776   12.391452
 O    7.597153    5.651849    8.985282
 O   12.469328    6.392236    8.639998
 O   12.576358   10.984531   14.529184
 O    7.181784    9.870688   15.063798
 O   10.525678    5.951720   13.121742
 O    4.380140    9.718335   10.987124
 O   14.590456   11.373147   10.122915
 O   10.136476   14.275438    9.715894
 O    7.469803   13.840717    9.777875
 O    7.744985   12.024662    7.886599
 O   10.357227   12.338424    7.677745
 O    9.145280   13.968606   11.922062
 O    6.423557   11.618701   10.866110
 O    6.396506    7.902906   10.088458
 O    9.827732    7.365622    8.830429
 O   13.143297    8.973006    9.577441
 O   11.987751   12.480594   10.325523
 O    6.876239    9.432783   12.278191
 O    5.952681   10.069636    8.660176
 O    9.268901   10.060879    7.005318
 O   12.680162   11.139620    8.088497
 O   12.517475   10.409583   11.784592
 O    9.840178   10.500022   14.325725
 O    7.882142   11.724769   13.041922
 O   10.987917   12.388497   12.671015
 O   11.653990    8.765160    7.370568
 O    7.526252    8.120750    7.604715
 O   11.511038    8.570896   13.483441
 O    8.851086    8.124983   13.636931
 O    8.750113    6.978046   11.185992
 O   11.315669    7.557663   10.955284
 O    9.178662   11.848888   10.359187
 O    8.293325    9.593540    9.723163
 O    9.740231    9.814009   11.791351
 O   10.753830   10.061947    9.498571
 O   13.379278   13.536924   12.290674
 O   16.169479   16.539301   10.266558
 O   13.892872   16.226944    8.550854
 O   12.287044   15.152861   10.612955
 O   18.106340   15.314117    8.826292
 O   17.612272   16.054817    6.330180
 C   15.906509   15.294212    9.609456
 C   14.393434   15.220996    9.408580
 C   13.659047   15.343941   10.797319
 C   14.147686   14.382676   11.835557
 C   16.762281   15.149665    8.340469
 C   16.493275   16.169374    7.232942
 H   16.210161   14.447717   10.257761
 H   14.115606   14.254836    8.963010
 H   13.858466   16.370792   11.162445
 H   15.188677   14.448881   12.200148
 H   17.136858   16.673223   10.191454
 H   14.254794   17.077965    8.866496
 H   10.630189   14.754316   13.581255
 H    8.091208    7.767915    6.889866
 H    6.610500   13.621675    9.367289
 H   11.552736    8.298721   14.420839
 H   16.627251   14.129682    7.936269
 H   15.543069   15.946961    6.726461
 H   16.445965   17.183853    7.664427
 H   18.642933   15.537601    8.038491
 H   17.591957   16.804657    5.713639

P O C H  0
6-311G*
****
Mo     0 
S   8   1.00
 2026740.93270436            0.0002054        
 385350.13660691             0.0009909        
 153625.66721216             0.0018066        
  59074.20718888             0.0092070        
  18926.56514348             0.0353847        
   7049.14637847             0.0983889        
   2906.91027690             0.2655676        
   1178.86891419             0.6716061        
S   2   1.00
    474.86543884            -0.5665737        
    193.86208674            -0.4688159        
S   2   1.00
     30.71565223             0.8305056        
     13.28375914             0.1880982        
S   2   1.00
      5.34972340            -0.8319494        
      1.94467514            -0.1949974        
S   2   1.00
      0.97320128             0.6671042        
      0.32190830             0.3817182        
S   1   1.00
     67.20988264             1.0000000        
S   1   1.00
      0.11839548             1.0000000        
S   1   1.00
      0.05367322             1.0000000        
S   1   1.00
      0.02683661             1.0000000        
P   7   1.00
  10863.79422813             0.0005857        
   3502.46398906             0.0024984        
   1407.06428281             0.0122642        
    537.92230924             0.0560023        
    218.13351373             0.1821024        
     94.27836494             0.4002267        
     42.46633549             0.4829808        
P   2   1.00
      8.99486403            -0.5715606        
      4.14037062            -0.4727762        
P   3   1.00
      1.68330345             0.3106762        
      0.73126273             0.5837458        
      0.29053886             0.1974514        
P   1   1.00
     19.68084827             1.0000000        
P   1   1.00
      0.1304384              1.0000000        
P   1   1.00
      0.0436769              1.0000000        
P   1   1.00
      0.02183845             1.0000000        
D   6   1.00
    260.39682190             0.0100876        
     77.45152306             0.0710367        
     28.75103788             0.2439763        
     11.59423933             0.4441040        
      4.72142252             0.3954699        
      1.73212087             0.0926277        
D   1   1.00
      0.60240161             1.0000000        
D   1   1.00
      0.17860241             1.0000000        
D   1   1.00
      0.2572650              1.0000000        
F   1   1.00
      1.1248440              1.0000000        
F   1   1.00
      0.3345650              1.0000000        
G   1   1.00
      0.8460700              1.0000000        
****






