%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization CONF6 octanol 0 1 O -2.9119487610 1.6336058635 1.2372119666 O 3.3346225194 0.1553192624 0.0271619171 O 2.4106939420 1.4032864198 1.4913857550 N -0.3403578836 -1.4267844276 -0.4381678102 N 1.8147814539 -1.5753054073 -1.1896687501 N 1.1415189418 -0.0100142562 0.4956615565 N 2.3381469291 0.5147758937 0.6595498154 C -2.3708667405 0.0136187211 -0.3764505642 C -1.7213168654 1.3359048354 -0.7824695373 C -3.4681227595 0.5275180022 0.5476386030 C -1.4403949518 -0.9416277871 0.3714050167 C -1.8220316929 2.1673117148 0.4921626243 C 0.9242374954 -1.0013165918 -0.3892082217 C 1.5126795169 -2.6251074276 -2.1336266250 H -2.7993488877 -0.5070793691 -1.2361276977 H -2.2989365183 1.7918820655 -1.5891746782 H -0.6946876490 1.2407876773 -1.1331169069 H -4.3458390950 0.8315754931 -0.0365313382 H -3.8017097728 -0.2145622858 1.2788055891 H -2.0128982271 -1.8156598956 0.6876846230 H -1.0409304389 -0.4837942815 1.2734680469 H -0.9069372923 2.0986782629 1.0886985484 H -1.9973073532 3.2257958633 0.2795460869 H -0.5710417881 -2.1538073444 -1.0974926283 H 2.7558242572 -1.2163137760 -1.1308092627 H 2.4296179598 -2.8811861395 -2.6559607465 H 0.7809628306 -2.3077654616 -2.8794976147 H 1.1453422101 -3.5268696063 -1.6400728513 --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 CONF6 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 CONF6 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 CONF6 octanol 0 1