%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Transfluthrin CONF88 water 0 1 Cl -3.7981321844 2.3878828262 0.6017029619 Cl -6.1437440368 1.0133140266 -0.3609470278 F 1.6197963214 1.7106042410 0.6692042744 F 3.5680998588 -1.4685143917 -2.1944089290 F 5.3958630013 -2.0242733086 -0.3227767184 F 3.4527295124 1.1360175369 2.5474830354 O 0.1711242076 0.1434378908 -1.3440703047 O 0.5438295202 -2.0356608762 -1.6602187851 C -1.7586230946 -1.5322830986 0.7385838770 C -1.5351494229 -1.3695142258 -0.7433996687 C -2.3082216307 -0.3227300656 0.0160260688 C -0.6101463871 -1.2963540245 1.6875701890 C -2.6873568573 -2.6350906280 1.1804715590 C -3.7453273992 -0.1745345758 -0.2425676452 C -0.1749285294 -1.1386709421 -1.2878333322 C -4.4542370809 0.9274154726 -0.0332407354 C 1.4790895990 0.4621128572 -1.8256183127 C 2.5326095481 0.1308292245 -0.8079537699 C 2.5426093474 0.7817587000 0.4169747681 C 3.5154732536 -0.8190546749 -1.0324547420 C 4.4667392794 -1.1032192370 -0.0684688158 C 3.4863442187 0.4908463086 1.3817351328 C 4.4622239893 -0.4546096765 1.1466326040 H -2.1100116221 -2.0480624450 -1.3665303749 H -1.7776555941 0.5978778060 0.2272060804 H -0.9893014199 -1.1108214994 2.6938345008 H 0.0389695716 -2.1725939114 1.7352411864 H 0.0021648683 -0.4385168714 1.4110056346 H -3.4648891867 -2.8534721396 0.4499133626 H -2.1254942298 -3.5560119656 1.3447580323 H -3.1731271066 -2.3724076653 2.1218708346 H -4.2789932388 -1.0296647787 -0.6407232001 H 1.4555205685 1.5336641687 -2.0136724377 H 1.6705781894 -0.0314217263 -2.7768456802 H 5.2068957375 -0.6819834006 1.8983430501 --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 Transfluthrin CONF88 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 Transfluthrin CONF88 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 Transfluthrin CONF88 water 0 1