%chk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/flufenacet/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization flufenacet CONF8 water 0 1 S 2.3929667689 2.4689518902 1.0697371792 F -2.1884150290 -5.3131379384 1.7043271673 F 5.1092167971 2.7081252405 -0.0301353062 F 5.0910815938 0.9024253700 -1.2155647146 F 4.1817085472 2.6976571934 -1.9700124947 O 0.0791511721 1.4499602276 1.7769022678 O -1.6269608735 1.9434181324 -0.1952825630 N -2.4862649860 -0.1526829132 -0.2161621919 N 1.2301251116 0.4467476921 0.0263611390 N 2.3808897664 0.5943947763 -0.6499897341 C -3.2347209719 0.0923695498 -1.4660611189 C -2.4128302342 -1.4836938864 0.2834238012 C -4.5529013574 -0.6618121915 -1.4854046216 C -2.3850475707 -0.2314887453 -2.6864565186 C -1.7165883558 0.8262423228 0.2938921926 C -0.9842000779 0.5171767382 1.5952716775 C -3.3216988553 -1.9276038975 1.2356694687 C -1.4340542824 -2.3499368120 -0.1923304854 C -3.2536055630 -3.2254244898 1.7191769054 C -1.3532053765 -3.6485253546 0.2835878489 C -2.2670826911 -4.0607382879 1.2335295166 C 1.0880214984 1.3434980208 0.9492785300 C 3.0870263872 1.5827619068 -0.2359919387 C 4.3831991672 1.9705277013 -0.8708353061 H -3.4643534424 1.1571169517 -1.4726031613 H -5.1641207532 -0.4373970367 -0.6111525798 H -5.1151844039 -0.3560774894 -2.3679404980 H -4.4156927369 -1.7421068245 -1.5441817955 H -2.9129846320 0.0660226988 -3.5931628184 H -2.1807083542 -1.3005867884 -2.7612063392 H -1.4329765385 0.2994784388 -2.6659858713 H -1.6623662410 0.6833457377 2.4332622911 H -0.6044231600 -0.5010278054 1.6617547240 H -4.0863793365 -1.2597547529 1.6089632621 H -0.7163993648 -2.0043105087 -0.9242112039 H -3.9568015960 -3.5773279523 2.4622166330 H -0.5875481750 -4.3233971932 -0.0752542698 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/flufenacet/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction flufenacet CONF8 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/flufenacet/water/CONF8/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 flufenacet CONF8 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/flufenacet/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point flufenacet CONF8 water 0 1