%nprocshared=8 %mem=2GB #p opt freq=noraman b3lyp/genecp scrf=(smd,solvent=dichloroethane) empiricaldispersion=gd3 integral(grid=ultrafine) nosymm CGMM_0001_mesitylene 0 1 C -5.12841760 0.07339774 1.72796736 C -3.64666374 0.35394227 1.46812745 C -2.94674514 0.95163041 2.63563933 C -3.86856520 1.89723997 3.40059740 C -5.07858534 2.47909109 2.55291806 C -5.60186486 1.48629401 1.43362814 H -1.95161379 0.70451631 2.94149584 H -3.18753160 0.21667625 0.51143747 H -5.13466319 1.71610542 0.49885045 H -4.30035795 1.27466027 4.15614325 H -3.32949723 2.70529880 3.84931407 H -4.83779774 3.38432978 2.03574862 H -5.82922720 2.66214947 3.29313859 H -6.66237257 1.59741584 1.34488506 H -5.36208775 -0.24905107 2.72110634 H -5.51776609 -0.66033088 1.05346750 -Rh LanL2DZ **** -P -C -H -O -Cl 6-31G(d,p) **** -Rh LanL2DZ