%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization CONF120 water 0 1 O 0.1990864107 0.7619699414 0.7919735038 O 0.9014181210 2.6729376638 1.6973449326 O -3.6566873960 1.6719425269 -1.3690680952 C 2.8529472526 1.2449780324 -0.8519185394 C 2.9155796767 -0.0079136492 -0.0368886998 C 2.4907250213 1.2987751768 0.6241887808 C 1.7893094548 1.4322815996 -1.9064609219 C 4.1610251389 1.9023202650 -1.2196955062 C 2.0317290326 -1.1700494096 -0.2831810704 C 1.1374968930 1.6505924280 1.0894643601 C 2.1225516225 -2.3570585604 0.3250437666 C -1.1603804385 1.0706286760 1.1257100321 C 3.0831688525 -2.6742343552 1.4292023684 C 1.2282352716 -3.4932817292 -0.0712227448 C -1.8037660077 2.0512609238 0.1524578018 C -1.9235924868 -0.2153380411 0.9535863720 C -2.8951907526 -0.1045680187 0.0356527747 C -2.8960394324 1.2519620693 -0.5187145515 C -1.5520072382 -1.4185336234 1.7341224685 C -3.8116013008 -1.1719082121 -0.4485679135 C -3.2072564739 -2.0556764161 -1.5029698020 C -1.9625203239 -2.0031297033 -1.9628070385 H 3.9209384485 -0.2795277796 0.2689894831 H 3.2451446746 1.7649546046 1.2481472250 H 1.6034664956 2.4954393281 -2.0691745967 H 2.1317664252 1.0120078977 -2.8538776287 H 0.8349349165 0.9654572742 -1.6736595059 H 4.9184387137 1.7582223489 -0.4486192621 H 4.5497215643 1.4848880548 -2.1507443972 H 4.0326454185 2.9764587768 -1.3661607585 H 1.2793988095 -1.0654254995 -1.0584900219 H -1.2146568302 1.4137328941 2.1617073638 H 2.5416178241 -3.0273778374 2.3106561515 H 3.6931827644 -1.8268218221 1.7365846097 H 3.7559630679 -3.4854521955 1.1385282166 H 0.6554510312 -3.8614713433 0.7838622783 H 1.8134992899 -4.3416162594 -0.4367275359 H 0.5222397151 -3.2107557652 -0.8525545052 H -1.1030918477 2.4281297410 -0.5955958390 H -2.2314303159 2.9180094462 0.6581712173 H -2.3095770906 -2.1977598479 1.6747721959 H -0.6135146134 -1.8391191130 1.3648118621 H -1.3926604194 -1.1652421932 2.7836340759 H -4.7274991026 -0.7268299799 -0.8474655029 H -4.1375094063 -1.8013172585 0.3848972879 H -3.8827049601 -2.8053600275 -1.9033208529 H -1.6257013190 -2.6938310866 -2.7249546452 H -1.2353415319 -1.2802558954 -1.6107894393 --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 CONF120 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 CONF120 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 CONF120 water 0 1