%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization CONF169 water 0 1 O -0.0241238054 0.7602849218 0.1109022870 O 1.2921593904 -0.3613195206 -1.2996212178 O -3.6368734627 -2.0908788324 0.6080645974 C 3.5657047585 1.4679533884 -0.1503799898 C 3.5633504623 0.2423025492 0.6924525267 C 2.2502628104 0.9874637650 0.4438392409 C 3.8282425068 1.3779421278 -1.6329555277 C 4.1043150918 2.7372031365 0.4656721808 C 3.8489429589 -1.1033950265 0.1341576243 C 1.1737872586 0.3852142683 -0.3543558567 C 3.3010925833 -2.2470066259 0.5522669546 C -1.1807847969 0.2351438308 -0.5435550982 C 2.2568533532 -2.3209371221 1.6225710923 C 3.6877702170 -3.5631228465 -0.0492592507 C -1.5093861926 -1.1997956956 -0.1487751975 C -2.3671487610 1.0470703377 -0.0975568525 C -3.3585529519 0.2700778768 0.3660213412 C -2.9430431543 -1.1342653411 0.3201746755 C -2.3768044335 2.5177290887 -0.2738615145 C -4.7198634171 0.6880685496 0.8020393244 C -5.7166127450 0.8034529645 -0.3150300927 C -5.4713602615 0.6631356383 -1.6123008064 H 3.9099309209 0.3890752406 1.7127263513 H 1.8921494950 1.5707337208 1.2837392070 H 3.3286170341 2.1927009522 -2.1600194706 H 4.8998574926 1.4791448671 -1.8175672122 H 3.5082072571 0.4426441093 -2.0843430558 H 3.9072581992 2.7845770668 1.5373458980 H 5.1848986978 2.8005416324 0.3233025182 H 3.6561550059 3.6183133180 0.0030471513 H 4.5917720435 -1.1493108045 -0.6575749758 H -1.0665304747 0.3380832527 -1.6268624170 H 2.5882258108 -2.9683557489 2.4387345484 H 1.3384318861 -2.7681730450 1.2316921709 H 2.0045708288 -1.3514583886 2.0487034771 H 2.8179585086 -4.0620608423 -0.4844076151 H 4.0833589529 -4.2418922463 0.7105287489 H 4.4401113527 -3.4543929571 -0.8300967740 H -0.8770239512 -1.5494889137 0.6722826839 H -1.4003735102 -1.9095939903 -0.9689168456 H -3.3169969052 2.9665746453 0.0395445045 H -1.5684020536 2.9881652144 0.2891342815 H -2.2113138648 2.7675493829 -1.3247106818 H -4.6735585408 1.6473743518 1.3255893185 H -5.1062189102 -0.0206277079 1.5404235745 H -6.7279939315 1.0345445942 0.0053489829 H -6.2641593334 0.7766364144 -2.3406844913 H -4.4864535403 0.4334146187 -2.0018224476 --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 CONF169 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 CONF169 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 CONF169 water 0 1