%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Dimethylvinphos_E CONF39 water 0 1 Cl -0.1427149690 1.5827306578 1.5502309344 Cl 4.2610088993 -1.4529422520 1.5297082027 Cl 0.3444234622 3.0860785431 -1.5958356095 P -2.4050867190 -1.0879346381 -0.4767208104 O -1.5047579963 -0.3817669705 -1.6179209047 O -1.4190112387 -1.6187497745 0.6464169416 O -3.0630823244 0.1745244156 0.2071805686 O -3.2779045910 -2.1026941562 -1.0962239401 C 0.6386924663 0.1510175296 -0.6131017025 C -0.5723246802 0.6004681058 -1.3246481063 C 0.9205393153 0.5248547663 0.6982617366 C 1.5072795340 -0.7348109383 -1.2441069897 C 2.0343445829 0.0420165696 1.3652836579 C 2.6284767642 -1.2295300859 -0.6021321939 C 2.8773028928 -0.8343123329 0.7018684272 C -0.8020737557 1.8228946639 -1.7810038093 C -0.7203817842 -2.8620947276 0.4837751061 C -3.7883657670 0.0980364181 1.4430377718 H 1.3028290615 -1.0426033416 -2.2612256006 H 2.2338415846 0.3384750622 2.3856579644 H 3.2920619872 -1.9134265498 -1.1122793911 H -1.7053837240 2.0928383265 -2.3121231118 H -0.1525510008 -2.8833524169 -0.4460854205 H -1.4147585727 -3.7011682898 0.5043887286 H -0.0331471835 -2.9434845394 1.3209691633 H -3.1135792902 -0.0910485737 2.2759712297 H -4.5542668906 -0.6758436258 1.4051277936 H -4.2659527427 1.0638988546 1.5811559708 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Dimethylvinphos_E CONF39 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Dimethylvinphos_E CONF39 water 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Dimethylvinphos_E CONF39 water 0 1