%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization dimethachlor CONF133 water 0 1 Cl -1.0956035918 3.6747255981 0.7364873416 O 3.6634287000 -1.3254295126 -0.8921216374 O 1.3374011151 2.1398388128 0.4762655303 N 0.4768551021 0.0609811776 0.2861995219 C -0.6594114490 -0.7887397515 0.1376360850 C 1.7893421102 -0.5699660954 0.3237587234 C -1.2421459192 -0.9764971667 -1.1176510846 C -1.1407864792 -1.4477725128 1.2783848867 C 2.4019249169 -0.7217254593 -1.0580309614 C 0.3696994070 1.4022309273 0.3991199207 C -2.3111144740 -1.8676198781 -1.2180030281 C -2.2044306989 -2.3281483413 1.1353108273 C -0.7957988922 -0.2498563022 -2.3526918924 C -0.5387862713 -1.1952028278 2.6273808234 C -2.7826741704 -2.5432470816 -0.1083287256 C -1.0581628759 1.9258133488 0.4288988382 C 4.2992789517 -1.5923173023 -2.1203991741 H 1.6769442390 -1.5542523938 0.7794242218 H 2.4493952417 0.0104089235 0.9681259605 H 2.4960373067 0.2574863953 -1.5461463202 H 1.7557087759 -1.3428484097 -1.6920328247 H -2.7730990471 -2.0280828964 -2.1847540849 H -2.5869806338 -2.8449609896 2.0065973865 H -0.5010539751 -0.9551766005 -3.1307179258 H -1.6163562948 0.3437578215 -2.7589169556 H 0.0415309930 0.4229843035 -2.1864696686 H -0.4871436188 -0.1299861174 2.8551695929 H -1.1305439510 -1.6716990710 3.4064077233 H 0.4762591248 -1.5867769904 2.7043048409 H -3.6099739358 -3.2339298827 -0.2070662544 H -1.5600207404 1.7476923215 -0.5217964134 H -1.6374697014 1.4345279644 1.2097530742 H 3.7242458279 -2.2941064940 -2.7349831887 H 5.2704340155 -2.0381217304 -1.9067956572 H 4.4595349238 -0.6805719119 -2.7063235434 --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 dimethachlor CONF133 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 dimethachlor CONF133 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 dimethachlor CONF133 water 0 1