%chk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sulfonylurea/triasulfuron/gas/CONF4/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization triasulfuron CONF4 gas 0 1 Cl 1.0150978522 -1.9741524986 1.6627458044 S -1.7294959811 1.3301011081 -1.3717488126 O -1.6940643881 -1.0781024761 0.3456328303 O -1.6624944760 0.2671262048 -2.3523950084 O -2.0228298036 2.6827948943 -1.7750676170 O -0.5935544115 2.6927445541 1.0886284735 O 2.9801171212 -1.4229586632 -2.0802127872 N -0.2285212023 1.2644530065 -0.6484562932 N 1.4193129897 1.6758242790 0.9315128183 N 3.4598987547 0.7092903642 1.2195392554 N 2.1585052089 0.1422347524 -0.6534182002 N 4.2380838908 -0.8967337196 -0.3177734992 C -2.8707201188 0.8960829298 -0.0883538022 C -2.7794950523 -0.3272874868 0.5864121625 C -3.9199843209 1.7648726666 0.1601905917 C -3.7905813827 -0.6744352528 1.4760870189 C -4.9144633444 1.4181612205 1.0599355517 C -4.8475984840 0.1951717744 1.7022449680 C -1.5828069031 -2.3472353119 0.9409825849 C 0.1219747650 1.9395009192 0.4842540858 C -0.1903774920 -2.8679555570 0.6966063359 C 2.3695229411 0.8098787075 0.4749747506 C 4.3623650238 -0.1587409053 0.7753695755 C 3.1178100203 -0.7032152479 -0.9906621679 C 5.5996704521 -0.3364538937 1.5871558550 C 1.8176796803 -1.2432323214 -2.8771717297 H -3.9542578023 2.7144216004 -0.3542179584 H -3.7723001697 -1.6171737339 2.0038517706 H 0.4408035141 0.5972238614 -1.0409037906 H -5.7317582815 2.0985471180 1.2518813384 H -5.6216737005 -0.0944287751 2.4005666833 H -1.7677832662 -2.3085997211 2.0189661700 H -2.3066805603 -3.0425496864 0.4973473323 H 1.6584865653 2.1487952738 1.7907893893 H 0.0844948829 -2.7882279995 -0.3537473222 H -0.1356998349 -3.9139709814 0.9922373299 H 5.4349620797 -1.1197870974 2.3298290836 H 6.4309928648 -0.6466876555 0.9595251222 H 5.8483637286 0.5770995606 2.1214496867 H 0.9033479963 -1.4944248945 -2.3369432314 H 1.7307980876 -0.2210657384 -3.2466812331 H 1.9316988449 -1.9201188728 -3.7189613646 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sulfonylurea/triasulfuron/gas/CONF4/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction triasulfuron CONF4 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sulfonylurea/triasulfuron/gas/CONF4/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) Electronic spectrum triasulfuron CONF4 gas 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sulfonylurea/triasulfuron/gas/CONF4/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point triasulfuron CONF4 gas 0 1