%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization CONF233 water 0 1 F 1.8562514452 1.2997963458 1.8961171539 F 1.6116838475 -2.8728213383 -1.4255075343 F 0.9571213622 -1.0775875449 -2.4147723426 F 2.8436523708 -1.9652689933 -2.9284638972 F 4.5315956881 1.4445658074 1.9878237931 O -1.3368296117 -1.3910695759 0.7639632247 O 1.0880423806 2.0589330997 -1.3460126303 N 0.0265050866 -1.3661358379 0.7156049854 N -0.3727855613 0.7278187114 -0.2246253771 C -3.2881068159 -2.6193061986 1.1980940062 C -4.1612284263 -3.1950620074 2.2701851693 C -4.1872339063 -1.7244828496 1.9964049742 C -1.8127951934 -2.5619638336 1.4241435158 C 0.4599784800 -0.2913423514 0.1823062032 C 1.9335457166 -0.1714564602 0.0812386358 C 2.7028732229 -0.8615145350 -0.8568151793 C 2.5788807106 0.6120191274 1.0139769576 C -0.0445419897 1.8163046947 -0.9761586412 C -1.2059613813 2.7142053908 -1.3563236445 C 4.0860779873 -0.7677394459 -0.8258211422 C 2.0313031681 -1.6966459816 -1.9056469259 C -2.5135484834 2.4321721516 -0.6738591872 C 3.9584708323 0.6955542724 1.0501792807 C 4.7194909463 0.0065128698 0.1342106053 C -2.8292837232 3.0586637428 0.5296720321 C -3.4080111252 1.5025442040 -1.2022274578 C -4.0125573149 2.7636808585 1.1915652094 C -4.5887947486 1.2003051943 -0.5375502827 C -4.8938569632 1.8304070229 0.6613264299 H -3.5877607147 -2.8204483148 0.1750653425 H -3.6870407956 -3.5344140673 3.1828260991 H -5.0088677917 -3.7910657662 1.9594441934 H -3.7294824151 -1.0634073939 2.7222818540 H -5.0551764609 -1.3097707077 1.5004396719 H -1.3161416376 -3.4447121251 1.0122343464 H -1.5825545522 -2.5095140695 2.4935556064 H -1.3491233299 0.6077046783 0.0130033804 H -1.3121499064 2.6231198722 -2.4410913304 H -0.8831257782 3.7393347770 -1.1649137063 H 4.6975721724 -1.2939256275 -1.5442166012 H 5.7984453095 0.0751798809 0.1644188392 H -2.1420138103 3.7823223109 0.9515604418 H -3.1744672300 1.0076406318 -2.1376999369 H -4.2461805584 3.2616266622 2.1235826439 H -5.2718847181 0.4741275137 -0.9585298919 H -5.8155675980 1.5974668231 1.1783465615 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check scrf=(smd,Solvent=Water) guess=read output=wfx Wavefunction CONF233 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check scrf=(smd,Solvent=Water) guess=read td=(singlets,nstates=10) Electronic spectrum CONF233 water 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check scrf=(smd,Solvent=Water) guess=read Single Point CONF233 water 0 1