%chk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group5/terbacil/gas/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization terbacil CONF1 gas 0 1 Cl 2.8706037054 -1.2920901583 0.0604481041 O 0.1005266610 -1.9409276098 -0.5159763936 O -1.5739228282 2.2287599613 -0.4605609362 N -0.8560026590 0.0820558191 -0.0015434456 N 0.5908856369 1.9104150211 -0.0059457508 C -2.2439931142 -0.4921603724 0.1520308817 C -2.8401733291 -0.7720236335 -1.2235347091 C -2.1916688661 -1.7751503087 0.9973582660 C -3.1474832885 0.4709800103 0.9383809083 C 0.2328905387 -0.7846173650 -0.2068485228 C -0.6968911351 1.4479322009 -0.1822717317 C 1.7132256127 1.1358658667 0.1016562146 C 1.5561976018 -0.1933706775 0.0077523538 C 2.9973073817 1.8684539331 0.2772819204 H -2.2412149195 -1.4936105233 -1.7767760191 H -3.8439457243 -1.1853857314 -1.1131526456 H -2.9213216278 0.1431398716 -1.8094634354 H -1.6521884999 -1.6101252683 1.9318423837 H -1.7517017935 -2.6240231859 0.4886317040 H -3.2149371769 -2.0419162329 1.2603522674 H -4.0514479202 -0.0739065359 1.2098212414 H -2.6761396618 0.7920733682 1.8690391726 H -3.4486548948 1.3488231208 0.3801847238 H 0.6884469750 2.9068539430 -0.1204714282 H 2.9494314867 2.5170426710 1.1534069524 H 3.2030368212 2.4969629000 -0.5914179628 H 3.8318937852 1.1868809340 0.4030816017 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group5/terbacil/gas/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction terbacil CONF1 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group5/terbacil/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 terbacil CONF1 gas 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group5/terbacil/gas/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point terbacil CONF1 gas 0 1