%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Dimethylvinphos_E CONF15 water 0 1 Cl -0.2649205081 1.2340566276 2.1941230720 Cl 4.1490992579 -1.6571361511 1.2753989302 Cl 0.7679907131 3.3196278785 -1.7300120888 P -2.0439593724 -0.9622777419 -0.7231991832 O -1.8481951502 0.6372389301 -0.5664277491 O -1.5328636099 -1.5097141388 0.6748230764 O -3.6187392275 -1.0707161626 -0.7238041499 O -1.4282961714 -1.5636500331 -1.9203477431 C 0.5698238273 0.5752392356 -0.2846716811 C -0.6348528720 1.2482967006 -0.8028898440 C 0.8142086647 0.4783045574 1.0820704353 C 1.4673573425 -0.0241617297 -1.1617143825 C 1.9102384296 -0.2068245976 1.5753939059 C 2.5774649312 -0.7069628186 -0.6962522523 C 2.7801278594 -0.7960200621 0.6713775346 C -0.6557965266 2.3993062520 -1.4610045400 C -0.7236271414 -2.6917698488 0.7699656669 C -4.4591354470 -0.5469862016 0.3147033277 H 1.2907284468 0.0423508734 -2.2268523976 H 2.0835547816 -0.2758924929 2.6401482023 H 3.2649380161 -1.1666721352 -1.3920892871 H -1.5685057614 2.8354933347 -1.8452828424 H -0.3079051868 -2.7017152362 1.7730070304 H 0.0899403605 -2.6808295026 0.0464116856 H -1.3309635009 -3.5835020908 0.6231545007 H -4.1226445791 -0.8640596089 1.3008532385 H -5.4548637704 -0.9428379336 0.1361207703 H -4.4933682365 0.5406223448 0.2699892737 --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 CONF15 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 CONF15 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 CONF15 water 0 1