%nprocshared=8 %mem=2GB %chk=CGMM_0006_cyclopropane_MeO_Cyc_spbs.chk # sp b3lyp/genecp scrf=(smd,solvent=dichloroethane) empiricaldispersion=gd3 integral(grid=ultrafine) Title Card Required 0 1 C -1.86371200 1.08603600 -0.82657400 C -0.79125000 0.02382000 -1.11141300 H -2.43870500 1.44598100 -1.68408900 H -0.75600600 -0.34895800 -2.13398800 C -2.08850800 -0.31136200 -0.34902300 C -3.12623100 -1.14391600 -1.09322200 C -2.06162400 -0.59813700 1.14755300 C -4.52384600 -0.96241700 -0.47898200 H -2.83544100 -2.20274500 -1.03583700 H -3.13687400 -0.87603500 -2.15663400 C -3.46344500 -0.42309500 1.75750000 H -1.71819400 -1.63063200 1.30045900 H -1.35438900 0.05797000 1.65880200 C -4.51266500 -1.27228600 1.02516400 H -5.24841400 -1.60113600 -0.99848100 H -4.84782600 0.07654000 -0.63126800 H -3.43971000 -0.68100700 2.82341600 H -3.74344900 0.63708600 1.69157700 H -5.50707600 -1.10374700 1.45612400 H -4.28097600 -2.33722200 1.17160200 O -1.60714800 2.06003000 0.14092300 C -0.84774100 3.15277800 -0.36647900 H 0.12859200 2.82470800 -0.74893500 H -1.38199600 3.67469600 -1.17427600 H -0.69251200 3.84823000 0.46277200 C 0.51152600 0.09623800 -0.43241700 H 0.52087500 0.60270300 0.52918800 C 1.65511200 -0.40470400 -0.93843500 H 1.61256300 -0.91200800 -1.90282700 C 2.98908800 -0.34960100 -0.32477700 C 4.06232600 -0.99688200 -0.96850800 C 3.26082000 0.32575300 0.88381700 C 5.34886400 -0.98018400 -0.42862200 H 3.87855900 -1.52131200 -1.90337000 C 4.54505000 0.34176500 1.42275200 H 2.46298200 0.84610800 1.40520100 C 5.59828100 -0.31109400 0.77167500 H 6.15664800 -1.48994200 -0.94697800 H 4.72764900 0.86956100 2.35518900 H 6.59860400 -0.29535200 1.19490900 -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