%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization clomeprop CONF24 water 0 1 Cl -0.9346401409 1.6913415672 -0.5919952135 Cl -5.8245414598 -0.5177845283 0.1895119644 O 0.0123688097 -0.9469537155 0.2016348072 O 2.7759746749 -0.6837454382 -1.9931436634 N 2.4439553107 -0.0817587361 0.1812526589 C 0.6599713496 -1.1811871888 -1.0502346091 C -1.3423479257 -0.8434784294 0.1685987333 C 2.0725060575 -0.6120252310 -0.9972234263 C 0.6962302904 -2.6637738814 -1.3745233048 C -3.3400395481 0.5170059748 -0.2094965691 C -1.9532537306 0.3545979032 -0.1894760511 C -2.1304951044 -1.9221379522 0.5321621811 C 3.6762620999 0.4600758663 0.5670481990 C -4.0923247612 -0.5979269114 0.1636346450 C -3.5068971240 -1.7981625232 0.5349777208 C -3.9414994505 1.8273542928 -0.6082633958 C 3.7647219392 0.9101994021 1.8863730091 C 4.7906249913 0.5665137645 -0.2647760394 C 4.9418557602 1.4535844491 2.3688097396 C 5.9658805939 1.1137683878 0.2345952161 C 6.0546941493 1.5590809169 1.5443620402 H 0.1378154282 -0.6477325467 -1.8516896460 H 1.1637981625 -2.8284867522 -2.3432145271 H -0.3155165432 -3.0649112751 -1.4319286248 H 1.2498891770 -3.2224662891 -0.6197307992 H 1.7349317850 -0.0845725087 0.9006787994 H -1.6661987607 -2.8535261319 0.8272022842 H -4.1218542489 -2.6391546339 0.8225890923 H -5.0264720937 1.7937332758 -0.6172604606 H -3.6119921011 2.1201480719 -1.6053601286 H -3.6410876525 2.6199236330 0.0779663713 H 2.9039430361 0.8293953363 2.5398800553 H 4.7587252883 0.2318065861 -1.2881895779 H 4.9870625171 1.7938283061 3.3948120254 H 6.8237887708 1.1894093013 -0.4206177785 H 6.9768128480 1.9822347286 1.9190905810 --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 clomeprop CONF24 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 clomeprop CONF24 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 clomeprop CONF24 water 0 1