%chk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/fenoxasulfone/water/CONF78/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization fenoxasulfone CONF78 water 0 1 Cl -0.2903211264 -0.3539602212 2.6712345156 Cl -1.4383330152 -2.1508361407 -3.1507925260 S 2.9304270898 -0.3679407838 0.2190541523 O 1.4313797678 2.8977517586 1.4823955813 O 3.0838587305 -0.5364666760 -1.2232867430 O 4.1172202437 -0.3334410107 1.0653529927 O -3.2863385986 -0.8500091710 -1.3939952194 N 2.1545684614 1.7729414612 1.5162330896 C 0.7300859698 3.0419288714 0.1906371034 C 1.1612186625 1.7900855358 -0.5957408618 C 2.0210437303 1.1363153881 0.4243255422 C 1.2195838958 4.3275453293 -0.4410476496 C -0.7549369108 3.0695501088 0.4833118808 C 1.8315365453 -1.6598314123 0.8360427643 C 0.4479360400 -1.4773180677 0.3111907929 C -0.5660030768 -0.8689454810 1.0421652342 C 0.1464934773 -1.8693828221 -0.9931022535 C -1.1000596782 -1.6527489253 -1.5352176462 C -1.8272202057 -0.6451456354 0.5122422907 C -2.1110218603 -1.0277317200 -0.7937326379 C -4.3477188985 -0.2194575402 -0.6714085587 C -5.5529442660 -0.1627810661 -1.5733474503 H 0.3157394977 1.1688337002 -0.8978762151 H 1.7276980760 2.0350564248 -1.4960545932 H 2.2970383577 4.3018556555 -0.6077524078 H 0.7342373273 4.4704326072 -1.4068085443 H 0.9825767240 5.1905873422 0.1821638704 H -1.3107417382 3.1489244026 -0.4511676415 H -1.0804166000 2.1600225026 0.9887666794 H -1.0195722063 3.9258413403 1.1046677935 H 1.8930462332 -1.6333998705 1.9228810916 H 2.2831422443 -2.5936095593 0.4914080535 H 0.9044204245 -2.3622215071 -1.5875697240 H -2.5799313002 -0.1696278775 1.1248122275 H -4.0413578478 0.7865626851 -0.3698365496 H -4.5708954120 -0.7916639657 0.2335689077 H -5.3555897402 0.4198375139 -2.4730103481 H -6.3725330231 0.3164194503 -1.0387527656 H -5.8829614685 -1.1595491499 -1.8654140974 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/fenoxasulfone/water/CONF78/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 CONF78 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/fenoxasulfone/water/CONF78/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 CONF78 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/15_herbicides/fenoxasulfone/water/CONF78/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point fenoxasulfone CONF78 water 0 1