%nprocshared=8 %mem=2GB %chk=CGMM_0005_MesNCDPh_eq.chk #p opt freq=noraman b3lyp/genecp scrf=(smd,solvent=dichloromethane) empiricaldispersion=gd3 integral(grid=ultrafine) CGMM_0005_MesNCDPh 0 1 C -1.55323200 0.72553400 0.35346700 C -1.68146900 -0.78736200 0.61892800 C -0.87120200 -0.25133200 -0.58526000 H -0.89124000 1.27864100 1.01719100 C -0.94531300 -1.39806800 1.79560600 H 0.03150700 -0.93383800 1.94944900 H -1.52827300 -1.27764300 2.71533400 H -0.78433700 -2.47130600 1.63771000 C -2.75680200 1.46425400 -0.09875200 C -3.01043400 -1.36910200 0.32679800 C -4.02559600 -0.65579800 -0.21413700 C -3.88060700 0.78555000 -0.42535300 H -3.15965300 -2.41388200 0.59424600 H -4.75098300 1.33112400 -0.78560300 C -5.36157000 -1.27476400 -0.53904300 C -2.65323900 2.96187400 -0.15622600 H -3.59018100 3.42460800 -0.48006700 H -2.38995700 3.37028800 0.82900400 H -1.85680600 3.27770500 -0.84339400 H -6.17389900 -0.76823600 -0.00184200 H -5.58919100 -1.18082200 -1.60896700 H -5.39138300 -2.33732700 -0.28016000 H 0.19095171 -0.36035905 -0.65484876 C -1.60092494 -0.46876993 -1.92385074 H -2.66845004 -0.40881114 -1.96502235 C -0.89565632 -0.73579498 -3.04984401 H 0.16841456 -0.62362528 -3.05827812 C -1.62819544 -1.20227411 -4.32160800 C -0.90441734 -1.47780875 -5.48208089 C -3.01521544 -1.34943071 -4.31332559 C -1.56766247 -1.89975061 -6.63416279 H 0.18899285 -1.36095589 -5.48851123 C -3.67871229 -1.77243991 -5.46538680 H -3.58580257 -1.13248073 -3.39872619 C -2.95522313 -2.04747090 -6.62575675 H -0.99730554 -2.11634543 -7.54908146 H -4.77228109 -1.88877242 -5.45844076 H -3.47794350 -2.38022630 -7.53423548 -Rh LanL2DZ **** -P -C -H -O -Cl -F 6-31G(d,p) **** -Rh LanL2DZ