%chk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group5/metamitron/gas/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization metamitron CONF1 gas 0 1 O -0.5624461504 2.0358660169 -0.3952809879 N -2.2191894371 0.5269440438 -0.1311075892 N -0.4626639315 -1.4478724196 0.2542329881 N -1.7758261481 -1.7120602197 0.2827217576 N -3.1876684041 1.5012765003 -0.3346423858 C 0.0105191441 -0.2609129080 0.0468530460 C 1.4790982984 -0.1207828907 0.0122522604 C -0.8757629441 0.8863751136 -0.1784620811 C -2.6237032181 -0.7538489526 0.0991532698 C 2.1365465906 1.0858036324 0.2575500879 C 2.2466156927 -1.2611481855 -0.2437164850 C -4.0795050553 -1.0596530237 0.1392997599 C 3.5224241255 1.1420259488 0.2502465981 C 3.6270382304 -1.1960499681 -0.2589010909 C 4.2727737435 0.0076520930 -0.0104281887 H 1.5787278991 1.9861194656 0.4592044747 H 1.7469101915 -2.2014409168 -0.4293975925 H -4.1969285967 -2.1204226392 0.3393775272 H -4.5660333598 -0.8137536068 -0.8037649129 H -4.5866664046 -0.4868895765 0.9147153948 H 4.0153293670 2.0845242189 0.4487756843 H 4.2020691847 -2.0888202223 -0.4663048330 H 5.3536211942 0.0591022857 -0.0215330031 H -3.0380693115 2.2402550294 0.3431414030 H -3.0302586147 1.9167034277 -1.2462004523 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group5/metamitron/gas/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction metamitron CONF1 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group5/metamitron/gas/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) Electronic spectrum metamitron CONF1 gas 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group5/metamitron/gas/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point metamitron CONF1 gas 0 1