%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization quinoxyfen CONF3 water 0 1 H -3.1085644003 0.2171503293 2.4831153570 C -0.0814695335 2.8270671470 -0.0261851282 C -0.0526178732 1.5503419686 0.4534043250 C 1.0797258289 0.7259620620 0.2132556545 C 1.0160765967 3.3003979272 -0.7597423125 C 2.1262591576 1.3185763215 -0.5528758120 C 1.2784688713 -0.6054714161 0.6644896114 H 1.0002835862 4.3150507427 -1.1395018215 H 4.0654666222 1.0666014589 -1.4415002250 C 2.4166014106 -1.3014892736 0.3618538848 H 2.5458785428 -2.3150887392 0.7148481942 C 3.4211513700 -0.6904647334 -0.4031719947 C 3.2933341198 0.5876082289 -0.8558917562 O -1.1042554768 1.1126268816 1.1968645029 C -2.1478272853 0.4709562088 0.5809943114 C -4.3076673916 -0.8533340592 -0.4760445113 C -2.2081758120 0.2405382981 -0.7849453292 C -3.1684770426 0.0369299497 1.4178330429 C -4.2593170721 -0.6290767973 0.8870612758 C -3.3029425195 -0.4294261349 -1.3181965617 H -1.4221647895 0.5694349607 -1.4519080804 H -0.9352433335 3.4655631343 0.1547476296 H -5.0587849955 -0.9713569592 1.5307028124 H -3.3599904043 -0.6154647692 -2.3824787974 F -5.3657369003 -1.5039009643 -0.9921047091 Cl 0.1162539203 -1.4366932826 1.6363267274 Cl 4.8446083943 -1.5985300301 -0.7555982536 N 2.0739849006 2.5858152800 -1.0237676435 --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 quinoxyfen CONF3 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 quinoxyfen CONF3 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 quinoxyfen CONF3 water 0 1