%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization Hydroprene CONF233 octanol 0 1 O 5.2663351469 -2.6833233861 0.3475742089 O 3.8114899666 -4.0313911317 1.3678940585 C -1.9393927468 0.9677419001 -0.2614917807 C -2.8547302745 1.8834038004 -1.0754763582 C -3.8437071922 2.6922041682 -0.2433805010 C -4.8255013445 3.4770284067 -1.1058221420 C -5.9087610306 4.2280975820 -0.3295376568 C -1.1123959135 0.0787484032 -1.2040908872 C -1.0322145774 1.7487281915 0.6816070397 C -5.3274434466 5.3118630969 0.5716669462 C -6.9286794590 4.8284108326 -1.2910061676 C -0.3638924058 -0.9886040088 -0.4831180704 C 0.9657681034 -1.1280675532 -0.4956676639 C 1.7124892605 -2.1650316943 0.2130920282 C 0.9301892418 -3.1411603956 1.0325310274 C 3.0556312937 -2.1479983541 0.0728227725 C 4.0308475642 -3.0626329374 0.6731162026 C 6.3640630392 -3.4489951470 0.8593874829 C 7.6382423258 -2.8250934795 0.3485381865 H -2.5769224649 0.3079417712 0.3407926169 H -3.4160283457 1.2694570842 -1.7885514501 H -2.2418473654 2.5633896255 -1.6794008424 H -3.3015922548 3.3746953674 0.4158680570 H -4.4023175551 2.0138378530 0.4121235635 H -4.2744279253 4.1910066612 -1.7303027359 H -5.3121529898 2.7837001721 -1.8010808784 H -6.4308280439 3.5016484473 0.3056361368 H -0.4258704939 0.6968503099 -1.7911398548 H -1.7962067789 -0.3989763429 -1.9152469790 H -1.6011566422 2.3301063191 1.4079694514 H -0.3751082734 1.0870185807 1.2485216860 H -0.3969387216 2.4443350057 0.1263962401 H -4.6601951382 4.9060692598 1.3333523713 H -6.1171593064 5.8554467046 1.0944427741 H -4.7578330785 6.0418177433 -0.0101925379 H -7.7333951511 5.3365672429 -0.7557148696 H -6.4618761657 5.5622725678 -1.9532832882 H -7.3861415862 4.0626102696 -1.9209541218 H -0.9750932230 -1.6792837358 0.0915461736 H 1.5575793632 -0.4228648857 -1.0730545856 H 0.3395751814 -2.6123652674 1.7831786056 H 1.5517204016 -3.8668953269 1.5416031188 H 0.2223339383 -3.6827257828 0.4020193574 H 3.4864574567 -1.3697059382 -0.5470825935 H 6.2807446898 -4.4866400428 0.5279057581 H 6.3415864260 -3.4442867745 1.9518389761 H 8.4899343655 -3.3912117039 0.7264182071 H 7.6868449498 -2.8398720083 -0.7407327814 H 7.7486143799 -1.7944373244 0.6875316592 --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 CONF233 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 CONF233 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 CONF233 octanol 0 1