%nprocshared=12 %mem=40Gb #p PBEPBE/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 ****