%nprocshared=12 %mem=2GB %chk=CGMM_0002_MesCHTPh_ultrafine.chk #p opt freq=noraman b3lyp/genecp scrf=(smd,solvent=dichloroethane) empiricaldispersion=gd3 integral(grid=ultrafine) CGMM_0002_MesCHTPh 0 1 C 3.87056100 -0.51205700 0.48036200 C 3.64947000 0.83530400 0.59661500 C 2.61953200 1.60602600 -0.08352500 C 3.05833100 -1.39639400 -0.34204000 C 1.38885700 1.10620000 -0.35114400 C 1.72809600 -1.28054600 -0.57773900 C 0.94203000 -0.22507100 0.19921500 H 4.40731300 1.41528200 1.12447000 H 3.59457100 -2.21475200 -0.82357700 H 0.71009900 1.66415000 -0.99154400 H 1.30053800 -0.28547500 1.24097200 C -0.54527800 -0.47111900 0.24141800 C -1.51482900 0.43464400 0.04153100 H -0.81709600 -1.49078700 0.50840400 C -2.96787200 0.20430200 0.12196800 C -3.83545000 1.29231400 -0.09163800 C -3.54421900 -1.05260800 0.39614600 C -5.22107600 1.13757400 -0.03218500 H -3.41223700 2.27065200 -0.30684900 C -4.92729500 -1.20755800 0.45572100 H -2.90865000 -1.91709800 0.56285000 C -5.77496600 -0.11445500 0.24227500 H -5.86652400 1.99519900 -0.20139000 H -5.34804300 -2.18666200 0.66863900 H -6.85293000 -0.24023300 0.28874500 H -1.23818600 1.45929300 -0.19913700 C 1.01513900 -2.14649100 -1.58108500 C 5.10096500 -1.13246500 1.10514000 C 3.01406600 2.99924000 -0.52533700 H 3.35614500 3.59354500 0.33183900 H 3.84415300 2.97433800 -1.24240000 H 2.17791000 3.52971300 -0.99026200 H 5.71279900 -0.39160000 1.62791900 H 4.82616900 -1.91570100 1.82285400 H 5.72614500 -1.61396400 0.34219200 H 0.43219700 -1.53160000 -2.27743500 H 1.71802500 -2.74998000 -2.16241400 H 0.30121500 -2.82535800 -1.09806300 -Rh LanL2DZ **** -P -C -H -O -Cl 6-31G(d,p) **** -Rh LanL2DZ