%nprocshared=8 %mem=2GB # sp b3lyp/genecp scrf=(smd,solvent=dichloroethane) empiricaldispersion=gd3 integral(grid=ultrafine) Title Card Required 0 1 C -2.77862700 -1.05231500 -0.76193900 C -1.52625400 -1.46098900 0.01493300 H -1.33239200 -2.53227100 0.01162600 C -2.81331500 -1.05391600 0.74646000 C -0.29981500 -0.64721300 0.03657700 H -0.42172900 0.43040200 0.08220200 C 0.94218400 -1.16692200 -0.00180200 H 1.04429600 -2.25193800 -0.04558800 C 2.21192900 -0.42661700 0.00723500 C 3.41995900 -1.15134800 -0.01588300 C 2.29287200 0.98159200 0.03768400 C 4.65565300 -0.50345400 -0.00808600 H 3.38314300 -2.23800800 -0.04038400 C 3.52659200 1.62806100 0.04569800 H 1.38556100 1.57833600 0.05364300 C 4.71662200 0.89137800 0.02342500 H 5.57077100 -1.08937000 -0.02651500 H 3.56150100 2.71413800 0.06893300 H 5.67652100 1.39988700 0.02951000 C -2.91141600 0.25285000 -1.54201900 C -2.93409100 0.27443600 1.49876400 C -3.57528400 1.37711800 0.63977000 C -2.83602700 1.53925400 -0.69297700 H -1.79267100 1.81287800 -0.49308800 H -3.53158000 0.11495900 2.40278100 H -1.94935700 0.61591000 1.84224000 H -3.57822000 2.32463400 1.19173800 H -4.62524800 1.12026500 0.44127000 H -3.26230400 2.36876000 -1.26920200 H -3.89655800 0.23082600 -2.02567800 H -2.17217400 0.28905300 -2.35242300 H -3.27086300 -1.89207300 -1.24856000 H -3.33458500 -1.88786700 1.21045400 -C -H -O -Si -N -F -Cl 6-311++G(d,p) **** -Rh S 1 1.00 2.6460000 1.0000000 S 1 1.00 1.7510000 1.0000000 S 1 1.00 0.5713000 1.0000000 S 1 1.00 0.1438000 1.0000000 S 1 1.00 0.0428000 1.0000000 P 1 1.00 5.4400000 1.0000000 P 1 1.00 1.3290000 1.0000000 P 1 1.00 0.4845000 1.0000000 P 1 1.00 0.0869000 1.0000000 P 1 1.00 0.0257000 1.0000000 D 2 1.00 3.6690000 0.0760059 1.4230000 0.5158852 D 1 1.00 0.5091000 1.0000000 D 1 1.00 0.1610000 1.0000000 F 1 1.00 1.3500000 1.0000000 **** -Rh RH-ECP 3 28 f potential 5 0 600.3243032 -0.0538958 1 157.6910176 -20.1316282 2 49.8841995 -105.3654121 2 15.5966895 -42.3274370 2 5.5099296 -3.6654043 s-f potential 5 0 59.3442526 2.9753728 1 83.7426061 25.1230306 2 18.4530248 626.0926145 2 12.4194606 -812.2549385 2 8.8172913 467.3729340 p-f potential 5 0 53.4309068 4.9537213 1 65.6671843 20.4871116 2 16.8369862 598.0120139 2 11.3042136 -718.4059028 2 8.0312444 382.8173151 d-f potential 4 0 64.3993653 3.0279532 1 43.4625053 24.7526516 2 19.4020301 142.6844289 2 4.6879328 32.1406857