%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Dimethylvinphos_Z CONF39 water 0 1 Cl 1.3307912739 1.3104125237 -2.0553119742 Cl 4.7845369832 -0.0705305570 1.7938044014 Cl -2.4264925506 -2.1792512432 -2.1270291145 P -1.7211716353 1.1021508116 0.4698802718 O -1.3885041414 0.2602613176 -0.8725563718 O -3.1749097613 1.6358967997 0.1590929548 O -1.8301406549 -0.0684632475 1.5362201108 O -0.7933663358 2.1994589150 0.7978665349 C 0.7975817171 -0.6111404038 -0.2300503754 C -0.5161556119 -0.7975653427 -0.8712596521 C 1.7076464838 0.3465801443 -0.6753817807 C 1.1553113142 -1.3980558198 0.8606390326 C 2.9351651248 0.5217199340 -0.0619754371 C 2.3785994915 -1.2460356550 1.4907460464 C 3.2544483669 -0.2812103312 1.0223474006 C -0.8688566142 -1.9398974821 -1.4446541470 C -4.2468245458 0.7822949010 -0.2731888294 C -1.4291045897 0.1205721704 2.9022867612 H 0.4576872950 -2.1392807231 1.2268957244 H 3.6311649435 1.2642814495 -0.4267990759 H 2.6356741624 -1.8679671295 2.3365030675 H -0.1879281760 -2.7752185236 -1.5232733008 H -4.1265247835 0.5206082760 -1.3227501682 H -5.1633107028 1.3519958216 -0.1488576718 H -4.3089056246 -0.1238919864 0.3278983941 H -0.4123277560 0.5041067093 2.9676875524 H -1.4724998559 -0.8572188323 3.3730956211 H -2.1105546460 0.7968377757 3.4166482860 --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_Z 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_Z 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_Z CONF39 water 0 1