%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization CONF173 water 0 1 O -0.1189714388 0.8149875063 0.4635925741 O 1.1857786837 1.2183554336 -1.3009722455 O -3.5543208546 -1.5268946303 -1.4637205942 C 3.5682962147 1.1589997774 0.7045721624 C 3.3258160835 -0.2636313520 0.3434093260 C 2.1555614750 0.6142130181 0.8111228015 C 3.9491208001 2.1736984900 -0.3450445580 C 4.2307748131 1.4225541801 2.0370200622 C 3.4228179052 -0.7649521801 -1.0494615840 C 1.0743909122 0.9283771269 -0.1305098853 C 2.7516255744 -1.8153487652 -1.5289082831 C -1.2797797024 1.0032448685 -0.3517696097 C 1.7682732294 -2.6030626988 -0.7204529383 C 2.9342434772 -2.2809456562 -2.9402783857 C -1.5563237569 -0.1627172276 -1.2939459836 C -2.4692434787 1.0518456996 0.5699375289 C -3.4133745882 0.1651543199 0.2182632922 C -2.9388228291 -0.6328319017 -0.9146846600 C -2.5109303275 2.0155192870 1.6932778762 C -4.7339748926 -0.0675718227 0.8650381969 C -4.6901965558 -0.9857850248 2.0518332891 C -3.6058497980 -1.5195829578 2.6006651354 H 3.6054965274 -0.9855196840 1.1062572801 H 1.8133448231 0.4163658519 1.8198209179 H 3.6087387246 3.1690501120 -0.0551703751 H 5.0370428667 2.2130931633 -0.4286757084 H 3.5543755168 1.9624599802 -1.3344629506 H 3.9665842714 2.4109740259 2.4171658435 H 3.9407694617 0.6867265290 2.7880751016 H 5.3170282203 1.3839831415 1.9360366496 H 4.1130326082 -0.2502479015 -1.7115301905 H -1.1961214726 1.9520915522 -0.8899799308 H 0.8157287314 -2.6888076137 -1.2492930482 H 1.5699168562 -2.1716240904 0.2593193324 H 2.1259319635 -3.6250631786 -0.5686591913 H 1.9905458198 -2.2296553530 -3.4896427541 H 3.2533698753 -3.3257391231 -2.9731797917 H 3.6710656654 -1.6851733148 -3.4783745923 H -0.8451582875 -0.9817058382 -1.1588795823 H -1.5249593975 0.1227611060 -2.3458909840 H -1.7874935794 1.7386665574 2.4640852574 H -2.2391701290 3.0168030039 1.3520828822 H -3.4929929462 2.0601787753 2.1605503819 H -5.4357033366 -0.4787920718 0.1335908859 H -5.1754861492 0.8830187669 1.1793081824 H -5.6605912514 -1.2085330924 2.4848820467 H -3.6844390014 -2.1644776984 3.4666270262 H -2.6067962964 -1.3355730082 2.2228988400 --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 CONF173 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 CONF173 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 CONF173 water 0 1