%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization vernolate CONF33 water 0 1 S -1.1991859596 -0.8089092961 -0.9257080008 O -1.0095189656 1.5346007125 0.2769153175 N 0.9523619901 0.4481423997 -0.0243810765 C 1.7079627720 -0.7078770834 -0.4848662185 C 1.7135303237 1.5247384217 0.5999985812 C 1.8681883532 -1.7836475799 0.5795832601 C 2.1417531690 2.6002694972 -0.3873233419 C -0.3793501567 0.5664791448 -0.1248120905 C 2.6808503221 -2.9610029902 0.0669104515 C 2.9847015460 3.6724833459 0.2845675927 C -2.9352043706 -0.3158604773 -0.7430784269 C -3.5342255668 -0.6411992723 0.6156339738 C -3.5981791462 -2.1304485508 0.9082235435 H 2.6889320235 -0.3476555822 -0.8011230622 H 1.2520976424 -1.1242039105 -1.3855204041 H 2.5933107609 1.0733452864 1.0629060366 H 1.1314888039 1.9608489467 1.4119252878 H 2.3547174386 -1.3501247362 1.4574163836 H 0.8810086614 -2.1231266478 0.9026044883 H 2.7090962364 2.1388670811 -1.2001313190 H 1.2559354070 3.0521262033 -0.8399371788 H 3.6812375684 -2.6513089955 -0.2401196262 H 2.7942850364 -3.7244030801 0.8364409356 H 2.2017931195 -3.4307272489 -0.7938806295 H 2.4267607526 4.1852393185 1.0698498692 H 3.8804018662 3.2466755206 0.7401947063 H 3.3087502427 4.4254484283 -0.4338917711 H -3.4551243001 -0.8660683247 -1.5302706849 H -3.0257560669 0.7420839699 -0.9843912861 H -2.9773763844 -0.1251918741 1.4000467576 H -4.5443659893 -0.2226219990 0.6313381718 H -2.6038038305 -2.5769797179 0.9493234449 H -4.0811437380 -2.3198318718 1.8670673347 H -4.1681357106 -2.6589018415 0.1416567053 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction vernolate CONF33 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum vernolate CONF33 water 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point vernolate CONF33 water 0 1