%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Azinphos-methyl CONF41 octanol 0 1 S -1.8284575724 -0.5504079505 -1.7617071708 S -3.7902568474 1.2410837002 0.1849036398 P -2.2312792927 0.1179984143 0.1654622560 O -0.8838186532 0.7955859831 0.7142969688 O -2.2491756344 -1.2367152636 1.0068998720 O 1.2655540250 0.0705788317 -2.5376115708 N 0.6532005844 -1.2571033847 -0.8081467156 N 0.7656979406 -1.7277962013 0.4481287420 N 1.6359427163 -1.2862038652 1.2189694824 C 2.4520700805 0.2387618352 -0.4840669721 C -0.4819716419 -1.7748597512 -1.5219428826 C 1.4461045858 -0.2806410758 -1.3896544181 C 2.4980237766 -0.2880993874 0.8068927300 C 3.3339365963 1.2505487285 -0.8628375477 C 3.4316228287 0.1916183898 1.7277549316 C 4.2509371037 1.7217019614 0.0526562015 C 4.2985560528 1.1921216533 1.3467316922 C -0.5145623491 2.1203462491 0.3245624899 C -2.2312803342 -1.2021881186 2.4426122273 H -0.2037104217 -2.0775930364 -2.5302191971 H -0.8540005492 -2.6421331028 -0.9850578788 H 3.2939538553 1.6599001890 -1.8633642394 H 3.4576221503 -0.2285103517 2.7246138738 H 4.9385345954 2.5077385981 -0.2292656770 H 5.0237272143 1.5721871321 2.0540529434 H 0.4242870490 2.3447107174 0.8247774119 H -1.2680644597 2.8444827433 0.6354416955 H -0.3710239411 2.1932832034 -0.7551297271 H -2.9115912923 -0.4440549873 2.8338060996 H -1.2239101509 -1.0147960923 2.8118967347 H -2.5628852916 -2.1798936213 2.7819965909 --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 Azinphos-methyl CONF41 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 Azinphos-methyl CONF41 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 Azinphos-methyl CONF41 octanol 0 1