%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Hydroprene CONF218 octanol 0 1 O 4.3489617496 -2.2013008005 1.2923873136 O 3.9160363288 -2.4327376329 -0.8830230920 C -3.4702471612 -0.1834870721 0.1050127604 C -2.6662906431 1.1097295826 0.2436290609 C -3.2263397951 2.2943665612 -0.5353407464 C -2.3339412060 3.5259168397 -0.4318546058 C -2.8711483414 4.7746855781 -1.1333134467 C -2.7169039667 -1.3706906340 0.7269360760 C -4.8581279310 -0.0673148709 0.7240732688 C -1.9911866992 5.9793654334 -0.8191451204 C -2.9888928253 4.5813548819 -2.6412669220 C -1.4336304812 -1.6647630480 0.0293760346 C -0.2312834268 -1.6979543220 0.6137961434 C 1.0293492956 -1.9717580613 -0.0726752412 C 0.9735679909 -2.1916315626 -1.5509857443 C 2.1456226193 -1.9942559758 0.6878564523 C 3.5232769090 -2.2314986441 0.2461207985 C 5.7454079458 -2.4198720769 1.0549563631 C 6.4545185027 -2.3527163829 2.3841004699 H -3.5919919922 -0.3951532014 -0.9650953404 H -1.6402060895 0.9326970426 -0.0955971071 H -2.5892591586 1.3693002961 1.3066385140 H -4.2276737540 2.5496773422 -0.1743349465 H -3.3450703296 2.0012064518 -1.5833271088 H -2.1804723391 3.7575396182 0.6281353284 H -1.3409612051 3.2916758632 -0.8347810252 H -3.8738510373 4.9776080507 -0.7372515687 H -3.3589128544 -2.2567017209 0.6596415164 H -2.5427992651 -1.1878630738 1.7919096098 H -4.7959625022 0.1622361869 1.7909726658 H -5.4524684307 0.7168000807 0.2534447633 H -5.4168912582 -0.9995931668 0.6198932470 H -0.9736317459 5.8322693323 -1.1908509749 H -1.9247496911 6.1581151436 0.2561531775 H -2.3786561005 6.8906336701 -1.2793201332 H -3.3435008911 5.4914037816 -3.1296778255 H -2.0195684537 4.3306125324 -3.0809204758 H -3.6853871823 3.7843249062 -2.9052751549 H -1.5202646234 -1.8550418280 -1.0371564769 H -0.1638279985 -1.5060987372 1.6813439619 H 0.5335670431 -1.3226005332 -2.0440760559 H 0.3288306197 -3.0419914660 -1.7811120345 H 1.9441413092 -2.3755765453 -1.9937407300 H 2.0332926785 -1.8182036380 1.7518670614 H 6.1294021936 -1.6580898419 0.3722802577 H 5.8944247177 -3.3951770869 0.5857623300 H 6.3356346695 -1.3775844278 2.8576315729 H 6.0963894546 -3.1190712867 3.0723738651 H 7.5208758921 -2.5183353254 2.2292421194 --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 Hydroprene CONF218 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 Hydroprene CONF218 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 Hydroprene CONF218 octanol 0 1