%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization CONF3 octanol 0 1 O -4.9521969847 -1.2059193509 0.3027513382 O -3.5464463792 -2.1544869086 -1.1423697756 C 1.0735240367 0.1704265181 -0.1768236534 C 2.1074001661 1.0778781897 0.4774903599 C -0.3172825638 0.2996059073 0.4315334791 C 3.4961014631 0.9438820876 -0.1348753721 C -1.3359039497 -0.6165723778 -0.2343938347 C 4.5356347605 1.8497468241 0.5132889835 C -2.7194538221 -0.4775418378 0.3787676161 C 5.9170799129 1.7045005050 -0.1070604506 C -3.7510245476 -1.3719668364 -0.2468554415 H 1.0215008060 0.3937206288 -1.2480982556 H 1.4051602529 -0.8709945725 -0.1011085773 H 1.7767147127 2.1197033469 0.4014464107 H 2.1601618993 0.8549049022 1.5489168957 H -0.2685787974 0.0754905394 1.5027359838 H -0.6530793353 1.3394919005 0.3541152498 H 3.8269059041 -0.0979947188 -0.0583263132 H 3.4429157291 1.1649753309 -1.2067888774 H -0.9980669966 -1.6532557832 -0.1518012401 H -1.3815331927 -0.3903924815 -1.3032875531 H 4.5911747957 1.6299686864 1.5841353254 H 4.2083807546 2.8913740789 0.4354252262 H -3.0745510503 0.5552918244 0.3022292885 H -2.6907498708 -0.6961407750 1.4513983287 H 5.9036324556 1.9532795040 -1.1703114020 H 6.2878162214 0.6813932184 -0.0151694244 H 6.6453102267 2.3605717619 0.3725310643 H -5.5936733853 -1.7975772392 -0.1197864574 --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 CONF3 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 CONF3 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 CONF3 octanol 0 1