%chk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sulfonylurea/triasulfuron/gas/CONF6/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization triasulfuron CONF6 gas 0 1 Cl 1.3164989428 2.5608702124 -0.3243097125 S -1.9408620672 -1.1857950864 -0.8755483593 O -1.6109090142 1.6527752314 -0.2471235481 O -2.4755465240 -2.5244400092 -0.8685915005 O -1.6936992926 -0.4929527891 -2.1203340396 O -1.0636129487 -2.0561415489 1.8742721470 O 3.3527214252 -0.0659729605 -2.1731551608 N -0.4439361868 -1.1688145496 -0.1299126505 N 1.1153920858 -1.5687271124 1.5479230265 N 3.3550915453 -1.1747134663 1.6252828363 N 2.1750168382 -0.8044639312 -0.3751118313 N 4.4871629141 -0.3882633903 -0.2844725873 C -2.9556481673 -0.2016386687 0.1881779652 C -2.7044445228 1.1651921764 0.3506167383 C -4.0329413716 -0.8057668026 0.8128403361 C -3.5780309711 1.9181785788 1.1273570446 C -4.8956683211 -0.0504162740 1.5898881004 C -4.6649802218 1.3061719929 1.7350982994 C -1.3641514574 3.0344676874 -0.2321666619 C -0.2157268737 -1.6366824565 1.1319017419 C -0.1349900125 3.2915998813 -1.0631523213 C 2.2472662963 -1.1656889523 0.9002918807 C 4.4467861406 -0.7732476925 0.9811330049 C 3.3239708289 -0.4287913635 -0.9147078759 C 5.7273154873 -0.7802583323 1.7439777189 C 2.1479102296 -0.1062664142 -2.9268475702 H -4.1906919149 -1.8673333712 0.6885723812 H -3.4222232040 2.9779139646 1.2735431111 H 0.3436568342 -0.8017651234 -0.6692112554 H -5.7376192776 -0.5211758947 2.0768739508 H -5.3343447700 1.9071604561 2.3362022350 H -2.2025684035 3.5869193937 -0.6761547729 H -1.2161123110 3.4051841320 0.7880301715 H 1.2591797989 -1.8609202805 2.5035085383 H 0.0372220455 4.3632796499 -1.1435018938 H -0.2500500574 2.8761800386 -2.0628387132 H 6.4721262249 -0.1590335957 1.2548168987 H 5.5682058415 -0.4446427595 2.7666330971 H 6.1135058494 -1.8000293628 1.7953427656 H 2.4169344405 0.2296703998 -3.9242107192 H 1.7398223540 -1.1160096295 -2.9848770461 H 1.3896998685 0.5586444425 -2.5133216445 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sulfonylurea/triasulfuron/gas/CONF6/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction triasulfuron CONF6 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sulfonylurea/triasulfuron/gas/CONF6/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) Electronic spectrum triasulfuron CONF6 gas 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sulfonylurea/triasulfuron/gas/CONF6/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point triasulfuron CONF6 gas 0 1