%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization CONF7 octanol 0 1 O -3.9814314840 1.1117109720 0.1474636746 O 3.0771824002 1.9716660188 0.0278574354 O 3.6938096785 -0.0666098685 0.1605722837 N -0.1334394089 -0.9271377020 -0.7280562257 N 1.8789677173 -1.8884260656 -0.2128566444 N 1.5641691072 0.4865595991 -0.3062803616 N 2.8190743503 0.7820179921 -0.0310157268 C -1.6713691110 0.6998201981 0.3679162995 C -2.4687271585 -0.3728122130 1.1394917584 C -2.7341545347 1.7698006250 0.0736140894 C -1.0632092768 0.1681566395 -0.9264720240 C -3.8726671783 0.2239695209 1.2415653370 C 1.1541312960 -0.7922679729 -0.4010497461 C 1.3705855068 -3.2353014989 -0.3137340808 H -0.8729073417 1.1208958617 0.9809869528 H -2.0467898563 -0.5862835194 2.1211087637 H -2.4951284726 -1.3168990261 0.5901143063 H -2.6758100306 2.5782560162 0.8144402539 H -2.6360699111 2.2221490024 -0.9163234428 H -0.5621433045 0.9701394196 -1.4658794581 H -1.8544576567 -0.2102617067 -1.5763075010 H -4.6697623646 -0.5177091819 1.1713896627 H -3.9967870557 0.7618692490 2.1913578119 H -0.5206899548 -1.8566224166 -0.7677180316 H 2.8493734576 -1.7379129271 0.0188238643 H 0.9763974688 -3.4517201624 -1.3087588150 H 0.5935059478 -3.4374652603 0.4262465711 H 2.1931478133 -3.9187927642 -0.1264459746 --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 CONF7 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 CONF7 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 CONF7 octanol 0 1