%chk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/fenoxasulfone/water/CONF76/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization fenoxasulfone CONF76 water 0 1 Cl 0.5071032089 -1.6370792934 -2.1225413345 Cl -2.4006392223 -0.5713453120 3.2499041983 S 2.8383970301 -0.1504418320 0.8603725276 O 1.8872882827 1.8482853862 -2.2403114412 O 4.2309235938 -0.3829022144 0.4960207869 O 2.5250638843 0.3977735825 2.1776622183 O -3.5657560429 -0.3938000174 0.6338889918 N 2.5533302319 0.9562687385 -1.4979773647 C 0.9004895505 2.5853938025 -1.4267967633 C 1.0043767702 1.9192449874 -0.0422123836 C 2.1015241692 0.9553401370 -0.3101622278 C -0.4528685105 2.3984052142 -2.0770219195 C 1.3380562019 4.0350329943 -1.4034881369 C 1.9239692505 -1.6926999114 0.6422943653 C 0.4571227270 -1.4306965041 0.5881585920 C -0.2592974474 -1.3391847398 -0.5999593970 C -0.2402932697 -1.1919041947 1.7723180072 C -1.5758482125 -0.8593873853 1.7638943190 C -1.6048881921 -1.0066797782 -0.6258382309 C -2.2822941851 -0.7433526990 0.5594490151 C -4.3135507728 -0.2375155613 -0.5760485247 C -5.7013718948 0.2198541590 -0.2088648250 H 1.2733056631 2.6283582248 0.7417569741 H 0.0799414630 1.4243323891 0.2629604833 H -0.7302955941 1.3451387167 -2.1268182769 H -1.2132294223 2.9161099377 -1.4923204574 H -0.4681042799 2.8121176191 -3.0856383033 H 1.3416411532 4.4638470596 -2.4062131693 H 0.6476012465 4.6173992341 -0.7931465700 H 2.3352566330 4.1418719599 -0.9749978132 H 2.2021256639 -2.3051398537 1.5038533925 H 2.3172356888 -2.1688402669 -0.2545764454 H 0.2786756957 -1.2759458690 2.7178262691 H -2.1140637877 -0.9517044883 -1.5772985673 H -4.3489797804 -1.1896284725 -1.1127822289 H -3.8237476576 0.4980899342 -1.2209684083 H -5.6851844480 1.1812601591 0.3035010398 H -6.2107690498 -0.5072414197 0.4237861423 H -6.2874910301 0.3372223764 -1.1197005485 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/fenoxasulfone/water/CONF76/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction fenoxasulfone CONF76 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/fenoxasulfone/water/CONF76/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 fenoxasulfone CONF76 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/fenoxasulfone/water/CONF76/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point fenoxasulfone CONF76 water 0 1