%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Metaflumizone_E CONF97 octanol 0 1 F -5.1128621963 -4.9212426335 0.2222129537 F -4.3494460342 -4.3108657648 2.1349837514 F -3.8460427990 -6.2472507216 1.3442724954 F 8.5763465564 2.7786827125 0.7921190196 F 6.9544963943 1.8754983491 1.8840969949 F 6.7287338626 3.8451248930 1.0732893623 O 6.8634620327 2.1191248586 -0.3256300894 O 0.5144092345 2.6877366117 -2.0170492520 N -0.7896725673 -0.4106209376 -1.2020836029 N -0.7236398976 0.8543623870 -1.6220771240 N 1.5041335396 0.8407364702 -1.0782509697 N -5.4358382327 4.6629537388 2.4241022633 C -3.2100470314 -0.4345775451 -1.6114853755 C -1.8985558532 -1.0429562526 -1.1860018049 C -1.8302832771 -2.4449118502 -0.7280138776 C -3.6836011103 0.6869382213 -0.7184811901 C -2.9220921423 -3.0568591804 -0.1209886658 C -2.8318286419 -4.3667328924 0.3408364724 C -0.6499470066 -3.1794185683 -0.8771452638 C -4.2599866978 1.8253158166 -1.2769170928 C -3.5725052296 0.5979333944 0.6676606521 C -1.6563142100 -5.0856482548 0.1918751221 C -0.5679904152 -4.4813632108 -0.4240434610 C -4.0291159985 -4.9674612312 1.0099504356 C -4.7192034991 2.8560768677 -0.4769517561 C -4.0246103367 1.6204681739 1.4804252561 C -4.6001114840 2.7538845522 0.9075692659 C 2.8261824096 1.2411508467 -0.9056623222 C 0.4674471081 1.5446265594 -1.5976130801 C 3.7029987403 0.2826634173 -0.3883105982 C 3.3219862372 2.5096541483 -1.2105174340 C 5.5069017717 1.8398050516 -0.4802543552 C 5.0359597826 0.5754025060 -0.1736778486 C 4.6609902537 2.8018251943 -0.9955851179 C -5.0629032207 3.8117084154 1.7437981932 C 7.2607868120 2.6444946688 0.8377630331 H -3.1167288007 -0.0668550661 -2.6386730450 H -3.9816523529 -1.2040112979 -1.6598197438 H -3.8455121682 -2.5055201028 0.0125789662 H 0.2035014947 -2.7288645986 -1.3661043125 H -4.3468019522 1.9111282264 -2.3531735494 H -3.1253907211 -0.2752070736 1.1267422166 H -1.5717255575 -6.1060529260 0.5391100872 H 0.3493605847 -5.0397958133 -0.5547884470 H -5.1603393002 3.7375153923 -0.9228064050 H -3.9307971482 1.5436048684 2.5554466645 H -1.5160476575 1.3504701294 -2.0151871412 H 1.2876622989 -0.1046864865 -0.7890362581 H 3.3361506173 -0.7087448464 -0.1496819637 H 2.6838335442 3.2787130286 -1.6126549141 H 5.7009628963 -0.1856443328 0.2138832025 H 5.0359135862 3.7843429713 -1.2519909797 --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 CONF97 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 CONF97 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 CONF97 octanol 0 1