%chk=/home/apulgar/almacen/pesticidas/14_herbicides/fluthiacet-methyl/gaussian/water/CONF60/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization fluthiacet-methyl CONF60 water 0 1 Cl -4.6380795579 -0.5913267663 1.2601159272 S 1.8636181589 -0.0723556122 1.8202217012 S -2.8286842183 2.0738297236 1.0210932888 F -0.6756257811 -3.2113638304 -0.3218758726 O 4.2516260953 0.3588984370 2.8764232808 O -3.0735696441 1.1323035184 -2.3115774587 O -2.0550714926 3.0981953271 -2.0168095126 N 3.2207868185 -0.6121049101 -0.2946838507 N 4.1533017319 -0.4033619874 0.7210478843 N 0.9634843828 -1.0463681846 -0.5631877828 C 5.0056078514 -1.1078452332 -1.8868432261 C 6.0101597972 -0.9766224351 -0.7545776909 C 3.6515467937 -1.5283863699 -1.3516825792 C 5.4935438115 -0.0090123337 0.2912241059 C 1.9351680500 -0.6303925460 0.1458717201 C 3.6397944781 -0.0063713997 1.8993084162 C -0.3335945777 -0.9019334485 -0.0993380774 C -0.8936698192 0.3332332766 0.2204517832 C -1.1696834718 -2.0124351695 -0.0077463751 C -2.2143888018 0.4612294904 0.6388181608 C -2.4803512050 -1.9265508251 0.4061117359 C -2.9985890496 -0.6847961508 0.7388415856 C -3.7833864416 2.4203517197 -0.4942281623 C -2.8839837443 2.2833364305 -1.6909565690 C -2.1967644095 0.8118436469 -3.3949360482 H 4.9114364125 -0.1581032435 -2.4183668492 H 5.3318328777 -1.8535798931 -2.6116715689 H 6.1951782482 -1.9515303230 -0.2975295563 H 6.9657245508 -0.6038965219 -1.1238970364 H 2.8972254915 -1.4896649127 -2.1316591829 H 3.6848262507 -2.5481717770 -0.9571815462 H 6.1273319055 -0.0085897702 1.1737470169 H 5.4557830171 1.0081977460 -0.1070761894 H -0.2948572090 1.2279377725 0.1047028489 H -3.0828836849 -2.8222749481 0.4743785232 H -4.6555638230 1.7728856877 -0.5528590031 H -4.1179516827 3.4534244322 -0.3986650389 H -1.1611572958 0.7565897561 -3.0603546293 H -2.2821158162 1.5360149608 -4.2037155284 H -2.5103999189 -0.1640206348 -3.7523240728 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/14_herbicides/fluthiacet-methyl/gaussian/water/CONF60/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction fluthiacet-methyl CONF60 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/14_herbicides/fluthiacet-methyl/gaussian/water/CONF60/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 fluthiacet-methyl CONF60 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/14_herbicides/fluthiacet-methyl/gaussian/water/CONF60/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point fluthiacet-methyl CONF60 water 0 1