%nprocshared=8 %mem=2GB # sp b3lyp/genecp scrf=(smd,solvent=dichloroethane) empiricaldispersion=gd3 integral(grid=ultrafine) Title Card Required 0 1 C -2.36642300 1.73734500 0.20736300 C -0.91098500 2.22999800 0.05925600 H -2.92060200 2.28897300 0.96415800 H -0.63699500 3.05565900 0.71201800 C -1.95878900 2.52265600 -1.00237500 C 0.16600900 1.26322000 -0.21352100 H -0.09905200 0.43119300 -0.86340600 C 1.40514200 1.35147200 0.30309800 H 1.62761100 2.19253400 0.96061800 C 2.52089500 0.41754900 0.09410600 C 3.72722300 0.63590100 0.78784900 C 2.45243800 -0.69463200 -0.77068000 C 4.81713800 -0.22183000 0.63499200 H 3.80429900 1.48892300 1.45801400 C 3.54073600 -1.55045100 -0.92333300 H 1.54236500 -0.89315000 -1.32879300 C 4.73035800 -1.32074800 -0.22241200 H 5.73451000 -0.02977200 1.18509300 H 3.46273900 -2.40080000 -1.59565600 H 5.57681000 -1.99040800 -0.34542200 H -1.85165200 1.99971800 -1.94831200 H -2.31478400 3.54462000 -1.09461300 C -2.69221700 0.27679500 0.17587400 C -2.69859500 -0.44023800 1.38473000 C -2.98209800 -0.41438300 -1.00879600 C -2.98087000 -1.80558400 1.40857600 H -2.47424700 0.08272500 2.31132400 C -3.26119200 -1.78434900 -0.98847500 H -2.99856300 0.11895700 -1.95431900 C -3.26073500 -2.48562100 0.21858400 H -2.97904100 -2.34071000 2.35442600 H -3.48326100 -2.30115200 -1.91839300 H -3.47834400 -3.54990600 0.23425400 -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