%chk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/dimethachlor/water/CONF121/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization dimethachlor CONF121 water 0 1 Cl -0.4138518247 3.3780426813 1.4775161732 O 3.1903563554 -0.6283547324 -0.0664126955 O 1.4858548104 2.0367006259 -0.2337767671 N 0.3783887800 0.1026724174 -0.6168612552 C -0.7293981054 -0.7526870371 -0.3389411951 C 1.3578382358 -0.3741041533 -1.5889473615 C -1.8000836772 -0.7597943172 -1.2456173128 C -0.7170024449 -1.5849647929 0.7832086742 C 2.3986438353 -1.3068037149 -1.0122491860 C 0.5260825002 1.3118878424 -0.0343716378 C -2.8501109651 -1.6408348535 -1.0252636472 C -1.7901932533 -2.4573701127 0.9664028627 C -1.8299410514 0.1757845615 -2.4159822818 C 0.3668322193 -1.5544067708 1.8198173307 C -2.8409215803 -2.4942111719 0.0692817929 C -0.6114262046 1.7111205385 0.8946682901 C 4.1065112225 -1.4875898647 0.5719262992 H 1.8316933800 0.4809737040 -2.0699189651 H 0.8265506630 -0.9184427148 -2.3706847230 H 3.0135929703 -1.6800091043 -1.8425641892 H 1.9126177137 -2.1829719028 -0.5613274832 H -3.6836818867 -1.6561921545 -1.7164433350 H -1.7924198579 -3.1136258604 1.8283946544 H -2.8076736297 0.1581614125 -2.8946027677 H -1.6219544160 1.2051345127 -2.1197120123 H -1.0926847142 -0.0933773888 -3.1751683323 H 0.7102419868 -2.5629867808 2.0504707252 H 1.2315102136 -0.9655920475 1.5279621818 H -0.0150451539 -1.1299127342 2.7507119176 H -3.6626056447 -3.1808512236 0.2263770235 H -1.5730667476 1.6458018029 0.3872357014 H -0.6477820654 1.0591857703 1.7667589155 H 3.6024471541 -2.3068887328 1.0973018341 H 4.6651972786 -0.9028596070 1.3020287956 H 4.8177512650 -1.9266615078 -0.1369855844 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/dimethachlor/water/CONF121/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction dimethachlor CONF121 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/dimethachlor/water/CONF121/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 dimethachlor CONF121 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/dimethachlor/water/CONF121/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point dimethachlor CONF121 water 0 1