%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization hymexazole CONF1 gas -1 1 O -0.6483476092 -1.0866713824 -0.0003099159 O 2.3782655329 0.5143378464 -0.0000657736 N 0.7641207543 -1.1305569287 -0.0006244417 C -1.0516467449 0.1790284181 0.0002311179 C -0.0005426959 1.0134822031 -0.0000060756 C 1.1899534527 0.1449082336 0.0008471582 C -2.5214289899 0.4201294407 0.0000409670 H -0.0115042156 2.0923326151 -0.0003598960 H -2.7281429604 1.4897103427 0.0020202189 H -3.0045763028 -0.0166611857 0.8779944641 H -3.0038588194 -0.0131695304 -0.8800427986 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction hymexazole CONF1 gas -1 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) Electronic spectrum hymexazole CONF1 gas -1 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point hymexazole CONF1 gas -1 1