%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization CONF4 octanol 0 1 O -3.7946476363 0.1393769325 0.0155326223 O 3.5642574235 -0.0765981046 -0.8435392635 O 3.1681543948 1.8061410073 0.0780267011 N -0.1270425484 -1.0757020431 0.4018587833 N 1.7195480300 -1.9001510150 -0.6720841064 N 1.6061713237 0.3384495728 0.1805484277 N 2.8177524184 0.6763072348 -0.2136748689 C -1.6015125254 0.9162615923 0.1008185346 C -2.4744120035 1.9200980721 0.8692713357 C -2.6375489523 0.2408197802 -0.7889004332 C -0.9283927040 -0.0619018754 1.0614825588 C -3.8990370154 1.3511151366 0.7451401964 C 1.1137218008 -0.8915379908 -0.0572458904 C 1.1313276617 -3.1995790160 -0.8912136887 H -0.8358406675 1.4193356359 -0.4914189117 H -2.4100379945 2.9116919972 0.4219744889 H -2.1602867145 2.0193711233 1.9098820201 H -2.8265925990 0.8494108699 -1.6844851413 H -2.3581073607 -0.7602179367 -1.1266601357 H -1.6804326055 -0.5955186289 1.6451592672 H -0.3082347746 0.4834071883 1.7716340642 H -4.3574568579 1.1306947055 1.7108053530 H -4.5534057769 2.0579782991 0.2216337062 H -0.5718562103 -1.9629341931 0.2312210810 H 2.6521046776 -1.7139592026 -1.0089927226 H 1.8631880529 -3.8167802310 -1.4036813089 H 0.2402447896 -3.1466030800 -1.5199696397 H 0.8734807994 -3.6961074228 0.0460409275 --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 CONF4 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 CONF4 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 CONF4 octanol 0 1