%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Metaflumizone_E CONF66 octanol 0 1 F -0.7108672121 -6.1800759574 1.1422544929 F 0.4819872902 -4.6048865054 0.2936096972 F -0.7439693769 -5.8248438475 -0.9794896719 F 6.2927500993 3.2246109651 1.1005503553 F 8.0655661201 2.0103106436 0.9441897096 F 6.3627783374 1.3106847206 2.0616713445 O 6.3317287849 1.3917549710 -0.1641268215 O 0.1582260274 2.3685450063 -2.2439365472 N -1.5495875109 -0.3396003980 -0.9396000432 N -1.3200111009 0.8228125703 -1.5528186674 N 0.8837818308 0.6107750403 -0.9575366863 N -5.4874415448 5.7920622126 1.8049043274 C -3.9590167293 -0.1130375376 -1.3632713807 C -2.7308898508 -0.8123025173 -0.8399259816 C -2.8372545734 -2.1285754800 -0.1807225841 C -4.2751280773 1.1837419326 -0.6572794918 C -1.7762316192 -3.0293845820 -0.2592393744 C -1.8457098977 -4.2577211809 0.3801652719 C -3.9716777735 -2.4910974709 0.5450121377 C -4.1488474416 1.3002408177 0.7256751578 C -4.7204883398 2.2830583522 -1.3879257390 C -2.9757805697 -4.6090104676 1.1096687538 C -4.0334320885 -3.7170286179 1.1883681473 C -0.7068216276 -5.2168039083 0.2163384099 C -4.4622216409 2.4838169838 1.3681587135 C -5.0380445418 3.4737184277 -0.7600087580 C -4.9085184088 3.5751263287 0.6238379292 C 2.2421371277 0.8735895797 -0.8033798825 C -0.0456477897 1.3389037074 -1.6252464375 C 2.8782107439 2.0435628258 -1.2212590998 C 2.9994712856 -0.1153960193 -0.1689098981 C 4.9592165855 1.2311920199 -0.3478829813 C 4.2350454730 2.2157236441 -0.9906371186 C 4.3506397260 0.0582953772 0.0623822072 C -5.2289559753 4.8006771323 1.2784487726 C 6.7423091490 1.9744813724 0.9668136915 H -3.8341197025 0.0767567757 -2.4350313466 H -4.8222023244 -0.7770574533 -1.2959160889 H -0.9040917903 -2.7626187544 -0.8422162051 H -4.8105944523 -1.8120822397 0.6323929514 H -3.7983975247 0.4624831495 1.3159655614 H -4.8164632420 2.2104909820 -2.4643434022 H -3.0460173521 -5.5642573593 1.6118578708 H -4.9140957784 -3.9799614695 1.7589624216 H -4.3591817898 2.5641216697 2.4420357615 H -5.3796981323 4.3213750867 -1.3390509243 H -2.0348134305 1.3286333342 -2.0641916886 H 0.5438260319 -0.2388869781 -0.5246376057 H 2.3351578069 2.8291212224 -1.7196949509 H 2.5242011111 -1.0350089685 0.1512420801 H 4.7194980717 3.1219166223 -1.3303422280 H 4.9211923990 -0.7242470343 0.5452557388 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx Wavefunction Metaflumizone_E CONF66 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Metaflumizone_E CONF66 octanol 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point Metaflumizone_E CONF66 octanol 0 1