%nproc=8 %mem=20000MB #p pbepbe/gen nosymm opt scrf=(SMD,solvent=toluene) pseudo=(read) freq Title Card Required 0 1 46 0 10.094034 8.787670 8.816679 15 0 8.449357 9.533019 10.272132 15 0 12.229700 9.554635 9.337256 6 0 7.015092 8.381334 10.501721 6 0 5.675212 8.803049 10.621816 6 0 4.644122 7.858355 10.751713 6 0 4.939115 6.485231 10.777947 6 0 6.272897 6.057017 10.666617 6 0 7.301407 6.998819 10.517202 6 0 8.935034 9.915959 12.021077 6 0 9.822012 10.992990 12.249576 6 0 10.303424 11.260444 13.537666 6 0 9.920621 10.449559 14.620453 6 0 9.042251 9.376819 14.402843 6 0 8.548624 9.112639 13.113500 6 0 7.664082 11.119487 9.725747 6 0 7.101329 12.058659 10.614873 6 0 6.540407 13.249334 10.125678 6 0 6.529149 13.511778 8.745509 6 0 7.083792 12.578290 7.853887 6 0 7.653108 11.392586 8.341716 6 0 13.057309 8.878500 10.848294 6 0 12.238206 8.312078 11.846453 6 0 12.800558 7.809851 13.029870 6 0 14.190875 7.853772 13.221566 6 0 15.016850 8.402051 12.225033 6 0 14.454861 8.913921 11.045123 6 0 12.216536 11.388343 9.607100 6 0 11.283318 12.133806 8.853618 6 0 11.155547 13.517626 9.040713 6 0 11.953588 14.173711 9.993419 6 0 12.885224 13.439452 10.746250 6 0 13.020508 12.054503 10.553010 6 0 13.529865 9.332886 8.040348 6 0 13.987693 8.020865 7.776275 6 0 14.866247 7.770900 6.713767 6 0 15.291181 8.824852 5.884029 6 0 14.837955 10.128944 6.135960 6 0 13.965403 10.383928 7.207609 6 0 8.462668 9.114091 5.437964 6 0 9.842898 9.270934 5.125585 6 0 10.810030 8.553620 5.818325 6 0 10.428534 7.670212 6.880073 6 0 9.034330 7.536790 7.209083 6 0 8.043599 8.254793 6.454259 6 0 6.585162 8.090287 6.798843 1 0 5.432237 9.870159 10.602072 1 0 3.606076 8.197897 10.831901 1 0 4.132755 5.751478 10.877435 1 0 6.511865 4.988527 10.681213 1 0 8.340154 6.667151 10.400101 1 0 10.142564 11.624749 11.415661 1 0 10.989887 12.099697 13.690455 1 0 10.305376 10.652962 15.624932 1 0 8.731545 8.741519 15.239135 1 0 7.857576 8.277325 12.963770 1 0 7.112291 11.866418 11.692394 1 0 6.113116 13.974113 10.826515 1 0 6.094544 14.442903 8.367346 1 0 7.085681 12.776060 6.776794 1 0 8.106758 10.675507 7.647832 1 0 11.155681 8.270666 11.688937 1 0 12.148403 7.383171 13.798793 1 0 14.632069 7.456247 14.141457 1 0 16.102326 8.432614 12.366213 1 0 15.105504 9.334282 10.271207 1 0 10.634219 11.612042 8.140715 1 0 10.415692 14.075980 8.457981 1 0 11.843705 15.250903 10.155185 1 0 13.506163 13.943938 11.494123 1 0 13.738740 11.491954 11.157397 1 0 13.652194 7.190782 8.408525 1 0 15.213776 6.749421 6.526927 1 0 15.968856 8.627859 5.047291 1 0 15.165164 10.957087 5.498362 1 0 13.622697 11.406664 7.392770 1 0 7.712455 9.665754 4.859186 1 0 10.138947 9.943787 4.313472 1 0 11.868484 8.645585 5.554743 1 0 11.149232 6.918544 7.223424 1 0 8.698422 6.689642 7.820294 1 0 5.932056 8.462749 5.992676 1 0 6.330364 8.646506 7.719989 1 0 6.329707 7.033947 6.993252 -H -B -C -N -O -Br -P 0 6-31+g** **** Pd 0 SDD **** Pd 0 SDD