%chk=/home/apulgar/almacen/pesticidas/14_herbicides/oxadiazon/gaussian/water/CONF10/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization oxadiazon CONF10 water 0 1 Cl -0.6332709595 -2.8805395380 1.1874279694 Cl 4.4465782692 -1.6066070879 0.0502080256 O -3.1727550598 0.5038219610 0.9921079782 O 3.3646865037 0.8798651129 -0.8398800136 O -1.7115773920 -0.1854115271 2.5869967464 N -1.2235685199 -0.0664107146 0.3127451046 N -1.9073886100 0.3692888520 -0.7925300371 C -4.2355618428 1.2084123245 -1.1029700927 C -3.0596662827 0.6914540128 -0.3483145646 C -5.3612782095 0.1696457611 -1.0284149833 C -3.8405382045 1.4415244573 -2.5582405362 C -4.6968402642 2.5265148934 -0.4707958962 C 0.1240637894 -0.4542834487 0.2429852147 C -1.9737533754 0.0384631383 1.4352515560 C 1.0553744014 0.4453218777 -0.2581074840 C 2.3989542184 0.1027429029 -0.3482667783 C 3.0642245637 2.1875485411 -1.3642262842 C 0.5204536365 -1.7166760850 0.6584916772 C 2.7834002045 -1.1627035015 0.1168602929 C 1.8618127658 -2.0630958764 0.6094260269 C 2.9171708474 3.1942806897 -0.2396286587 C 4.2057238680 2.5372553066 -2.2935416787 H -5.0556197157 -0.7788033342 -1.4721499230 H -5.6802423990 -0.0186549434 -0.0028260753 H -6.2265977884 0.5362094330 -1.5817554885 H -4.7069412165 1.8107389342 -3.1072292953 H -3.5071976767 0.5242356167 -3.0436255964 H -3.0480272355 2.1849196310 -2.6484583270 H -5.5394342454 2.9205884631 -1.0397653957 H -3.9034247996 3.2751731170 -0.4845646151 H -5.0276916688 2.3966210267 0.5598008272 H 0.7033119025 1.4174843005 -0.5731535907 H 2.1394508497 2.1329583879 -1.9472697580 H 2.1831672008 -3.0411708804 0.9395570500 H 2.1233280444 2.9338608582 0.4607938809 H 3.8485829373 3.2902451196 0.3203158525 H 2.6745662101 4.1711604528 -0.6581124306 H 5.1531013759 2.5934231154 -1.7553165762 H 4.0201655813 3.5111781181 -2.7454516755 H 4.3037413280 1.8099848783 -3.0995954195 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/14_herbicides/oxadiazon/gaussian/water/CONF10/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction oxadiazon CONF10 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/14_herbicides/oxadiazon/gaussian/water/CONF10/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 oxadiazon CONF10 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/14_herbicides/oxadiazon/gaussian/water/CONF10/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point oxadiazon CONF10 water 0 1