%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization imazamethabenz-methyl_m CONF74 octanol 0 1 O -3.6001346715 -1.2341322696 1.5519129379 O 1.1426278123 2.0989360513 -0.2930035498 O 1.6114066851 1.0998237921 -2.2376278477 N -0.9984414742 -0.0505712716 -0.5400743480 N -1.3091143830 -1.2328781581 1.3307686177 C -2.4370895524 -0.1443323124 -0.3350665505 C -3.1029771412 1.2421544629 -0.1962274043 C -2.5857069035 -0.9275317209 0.9654275685 C -3.0513071769 -0.9698706356 -1.4673430959 C -2.5086463823 2.0520173727 0.9514257315 C -3.0556770127 2.0365604848 -1.4955117055 C -0.4309277604 -0.6836387184 0.4080198518 C 1.0150626130 -0.8906700292 0.5208565957 C 1.9132420787 -0.0999612931 -0.2042499814 C 1.5234332168 -1.9429419908 1.2765385208 C 3.2693823457 -0.3815216824 -0.1732821989 C 3.7799338245 -1.4293235776 0.5907884196 C 2.8834698923 -2.2029907461 1.3170922187 C 1.5054540115 1.0710452501 -1.0384557864 C 5.2530336107 -1.6914198992 0.6288437522 C 0.8097894965 3.3098700618 -0.9736682489 H -4.1538148053 1.0427117960 0.0399371662 H -2.8127511365 -0.5314135144 -2.4347736373 H -2.6673017959 -1.9910229384 -1.4650429235 H -4.1361177983 -1.0157126639 -1.3663851974 H -1.4559666499 2.2813587740 0.7824600758 H -3.0361722544 3.0016377065 1.0521048866 H -2.5914155777 1.5442768891 1.9144304021 H -3.4814617999 3.0294515387 -1.3415491788 H -3.6287975207 1.5652994495 -2.2937907270 H -2.0328299933 2.1690915384 -1.8510754952 H -1.0606408649 -1.7129130953 2.1839159739 H 0.8603422048 -2.5974369455 1.8275530673 H 3.9530534496 0.2356742442 -0.7452685026 H 3.2455835209 -3.0316271083 1.9127474837 H 5.4760642972 -2.6687297067 1.0546619471 H 5.6907584755 -1.6485429690 -0.3689697730 H 5.7660354313 -0.9422545478 1.2355614525 H -0.0072937995 3.1656352921 -1.6790016481 H 1.6741336872 3.7145492763 -1.5008223994 H 0.5013395114 4.0124599563 -0.2053834038 --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 imazamethabenz-methyl_m CONF74 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 imazamethabenz-methyl_m CONF74 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 imazamethabenz-methyl_m CONF74 octanol 0 1