%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization clomazone CONF13 water 0 1 Cl 3.1430734906 -1.5436452845 1.1520526203 O -1.3679462444 -0.9498088595 -1.5375554590 O -1.8135336516 0.1648774109 1.6908000816 N -1.0186336469 -0.8276542980 -0.1971496454 C -3.1385634569 0.0624205254 -0.3850501219 C -2.7976643467 -0.8967903436 -1.5207791072 C -1.9394922420 -0.1646047530 0.5206043649 C -3.1415428129 1.5230149448 -0.8401137554 C -4.4405818508 -0.2896808157 0.3147431539 C 0.3397618005 -1.1135361131 0.1443511031 C 1.3251289932 -0.0048154887 -0.1436559979 C 2.6430104029 -0.1157343059 0.2954611089 C 0.9795113776 1.1521692976 -0.8341555305 C 3.5818214360 0.8792165123 0.0781238134 C 1.9071701796 2.1577302398 -1.0659082383 C 3.2085781952 2.0248939073 -0.6077516243 H -3.1986290816 -1.8974911928 -1.3236735667 H -3.1261975573 -0.5621901499 -2.5033722873 H -3.9870568520 1.6989407112 -1.5061211079 H -3.2407517393 2.1957265033 0.0122210467 H -2.2320193192 1.7928655684 -1.3784803791 H -5.2728058868 -0.2237910166 -0.3872529063 H -4.4229025166 -1.3023153709 0.7192237946 H -4.6429277501 0.4014506247 1.1327430326 H 0.6320661433 -2.0310784778 -0.3708858858 H 0.3457067930 -1.3505761773 1.2092726634 H -0.0292097912 1.2829917243 -1.2015456592 H 4.5934967812 0.7612738399 0.4424602400 H 1.6074136065 3.0456098521 -1.6061581418 H 3.9364602437 2.8062796656 -0.7795980744 --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 clomazone CONF13 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 clomazone CONF13 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 clomazone CONF13 water 0 1