%chk=/home/apulgar/almacen/pesticidas/unknown_herbicides/oxaziclomefone/gaussian/water/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization oxaziclomefone CONF3 water 0 1 Cl 2.1870753014 -0.8644551508 3.2125071916 Cl 4.7872018866 -1.6309314343 -1.4212547752 O -1.9310713740 2.4543256378 1.0378362579 O -0.4864656150 -0.3532463335 -1.3828800001 N -0.3949326427 1.7763994419 -0.5932860455 C 1.0148696380 1.9734242339 -0.9824842182 C 1.8382942083 0.8377154618 -0.3790601649 C 1.5701457357 3.2686143151 -0.3800712839 C 1.1307892609 2.0801857637 -2.5031521796 C -1.2541814084 2.8342883208 -0.1455672310 C -1.0070272547 0.5730642609 -0.7700202670 C -2.2994958212 0.4260820803 -0.0769418615 C -2.6243462763 1.3104699781 0.8942165148 C 2.8130904623 0.1718915001 -1.1084504602 C 1.6526518061 0.5141267843 0.9632287915 C -3.1169150391 -0.7776140544 -0.3327659175 C 2.4320918969 -0.4675404796 1.5449458458 C 3.5808029230 -0.8050405232 -0.4933848207 C -3.6971093860 1.1598079713 1.9090386220 C 3.4107282821 -1.1470304265 0.8357548762 C -4.4354666530 -0.6376028626 -0.7649524332 C -2.6130845414 -2.0641089000 -0.1348848661 C -5.2337115651 -1.7506662170 -0.9904445979 C -3.4078648192 -3.1768302588 -0.3670965289 C -4.7201066223 -3.0251146781 -0.7969362267 H 1.4296954093 3.3216089744 0.6999317320 H 2.6408531451 3.3075696539 -0.5768263101 H 1.1277513470 4.1541806680 -0.8380022811 H 0.4738266192 2.8771401791 -2.8524723893 H 0.8531738963 1.1617912292 -3.0163573322 H 2.1451597706 2.3445782239 -2.8016997070 H -0.6946564960 3.7316435752 0.0866997690 H -2.0088867625 3.0729788983 -0.9036052494 H 2.9791820010 0.3966507287 -2.1522683548 H 0.8967493482 1.0202425599 1.5504406209 H -4.0722129943 0.1420961587 1.9598265789 H -4.5334870846 1.8247136045 1.6844561677 H -3.3184953895 1.4411105004 2.8931778858 H 4.0138807239 -1.9134867402 1.3017190007 H -4.8390050201 0.3545111515 -0.9269906508 H -1.6018854500 -2.2006043185 0.2242919388 H -6.2555956229 -1.6201124556 -1.3221237525 H -3.0023552406 -4.1669882142 -0.2040957929 H -5.3384295813 -3.8950107257 -0.9760842195 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_herbicides/oxaziclomefone/gaussian/water/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction oxaziclomefone CONF3 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_herbicides/oxaziclomefone/gaussian/water/CONF3/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 oxaziclomefone CONF3 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_herbicides/oxaziclomefone/gaussian/water/CONF3/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point oxaziclomefone CONF3 water 0 1