%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Hydroprene CONF222 octanol 0 1 O 4.3833857824 -2.2541089399 1.2237355155 O 3.8749280229 -2.5896469902 -0.9210400541 C -3.4340896393 -0.1287463747 0.1759556716 C -2.6038428696 1.1553203761 0.2088013977 C -3.1670000052 2.3009093367 -0.6245320439 C -2.2366848640 3.5090758339 -0.6468597887 C -2.6691338151 4.6411824853 -1.5798021950 C -2.6775594622 -1.2917866592 0.8383114565 C -4.7965456530 0.0476404184 0.8354503130 C -3.9943564943 5.2656647588 -1.1567277288 C -1.5825440440 5.7072525983 -1.6603777642 C -1.4246651312 -1.6486878163 0.1143606142 C -0.2049805606 -1.6808035595 0.6617104942 C 1.0275610952 -2.0137004827 -0.0494568463 C 0.9202154233 -2.3054629993 -1.5125166051 C 2.1663970549 -2.0256869445 0.6772641188 C 3.5231075627 -2.3213099737 0.2074806163 C 5.7660027142 -2.5171549011 0.9520745996 C 6.5212150435 -2.4046222663 2.2523171534 H -3.5979402415 -0.3994750045 -0.8750429575 H -1.5930335999 0.9362532761 -0.1507328534 H -2.4871819075 1.4792673041 1.2504394553 H -4.1496502572 2.5936550849 -0.2457363417 H -3.3271169451 1.9507535001 -1.6510526307 H -2.1268037795 3.9058421776 0.3698832383 H -1.2375870055 3.1732384328 -0.9466942561 H -2.7987861162 4.2163338147 -2.5829634632 H -3.3356902353 -2.1684918880 0.8464836516 H -2.4611627988 -1.0510917561 1.8838568873 H -4.6923983064 0.3316198029 1.8859396113 H -5.3928414237 0.8179884023 0.3448097163 H -5.3757703939 -0.8772729366 0.8001364155 H -3.9297080097 5.6727434748 -0.1438954714 H -4.8156109114 4.5474201943 -1.1702658599 H -4.2750074830 6.0853030184 -1.8216106685 H -1.4098730460 6.1692109620 -0.6846734817 H -0.6322663738 5.2870779910 -1.9967278051 H -1.8533828084 6.5044664706 -2.3557708315 H -1.5504472567 -1.8883466125 -0.9383062403 H -0.0993857652 -1.4390698727 1.7159938233 H 1.8724420991 -2.5309262563 -1.9755603704 H 0.4812903611 -1.4530884562 -2.0347349489 H 0.2524827257 -3.1528591976 -1.6799379158 H 2.0912958646 -1.7948985445 1.7340608666 H 6.1438932331 -1.7982710456 0.2212066279 H 5.8772209240 -3.5168888607 0.5258823666 H 6.1693442105 -3.1286438858 2.9880415321 H 7.5774310229 -2.6038792497 2.0699540503 H 6.4415092980 -1.4054978911 2.6819669976 --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 CONF222 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 CONF222 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 CONF222 octanol 0 1