%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization CONF111 water 0 1 O 0.2187422159 0.7725682482 0.7803930866 O 0.9079725546 2.7057043062 1.6495432357 O -3.6768985093 1.5944767021 -1.3890973412 C 2.9271021998 1.2781329515 -0.8136469162 C 2.9359882894 0.0010942961 -0.0329576880 C 2.5157337626 1.2969033729 0.6493904395 C 1.8989611188 1.5169547929 -1.8924541047 C 4.2600297649 1.9148095326 -1.1230976813 C 2.0381308379 -1.1349570422 -0.3455950349 C 1.1525211957 1.6681519128 1.0719107379 C 2.0707662970 -2.3330294460 0.2463500323 C -1.1447949797 1.0859764795 1.0889624867 C 2.9670001915 -2.6862192702 1.3934581162 C 1.1732840524 -3.4429103851 -0.2113647615 C -1.7859298834 2.0216629097 0.0708344132 C -1.9050387060 -0.2079802149 0.9713335249 C -2.8934882303 -0.1297741269 0.0678774252 C -2.8984828476 1.2034031945 -0.5410836683 C -1.5203460609 -1.3801392644 1.7919312592 C -3.8298624030 -1.2073036840 -0.3524976205 C -3.2725178618 -2.1176697481 -1.4096489675 C -2.0490540859 -2.0762511770 -1.9239333921 H 3.9250261030 -0.3014466103 0.2964938682 H 3.2557752156 1.7311093059 1.3126773628 H 1.7495899671 2.5882158456 -2.0392004332 H 2.2514921117 1.1031583941 -2.8390842083 H 0.9250300307 1.0764381400 -1.6902742788 H 4.1595819069 2.9944031826 -1.2498887749 H 4.9879369475 1.7374673754 -0.3307793247 H 4.6710415927 1.5089887022 -2.0497571002 H 1.3306694212 -0.9984374545 -1.1575556267 H -1.2100027596 1.4731095580 2.1088006995 H 2.3764656542 -3.0673574447 2.2305428097 H 3.5562036767 -1.8486613302 1.7619790396 H 3.6573217242 -3.4872890029 1.1163429950 H 1.7562938826 -4.3060759453 -0.5440556029 H 0.5248419184 -3.1379223215 -1.0328376854 H 0.5383196923 -3.7973217044 0.6049233677 H -1.0871437345 2.3381886042 -0.7066959928 H -2.1905756144 2.9252740998 0.5281668566 H -0.5799133734 -1.8056319524 1.4333179399 H -1.3581725701 -1.0886196221 2.8311252725 H -2.2716372726 -2.1670527889 1.7640165785 H -4.7605380716 -0.7692218721 -0.7242748253 H -4.1230416725 -1.8150029544 0.5087701122 H -3.9643777527 -2.8765349817 -1.7617246765 H -1.7432248967 -2.7870308669 -2.6806510412 H -1.3069287042 -1.3487838264 -1.6158161381 --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 CONF111 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 CONF111 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 CONF111 water 0 1