%chk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/water/CONF468/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Tebupirimfos CONF468 water 0 1 S 1.4187600710 1.1670070837 1.9984738108 P 1.8965560587 0.1762822889 0.4319193525 O 3.2023191875 0.5811824234 -0.3709017225 O 0.8029632313 0.2563130602 -0.7821149457 O 2.1004481122 -1.3666069928 0.7232175197 N -2.6512207797 0.9363509855 0.0071502103 N -2.4136055527 -1.3531384689 -0.4698170982 C -4.6270997763 -0.4710087664 0.1124366841 C -4.9169864367 -0.1288721758 1.5784150969 C -5.0841228744 -1.9003309622 -0.1625036237 C -5.4053468057 0.4841789749 -0.7986491838 C -3.1413300529 -0.2954618883 -0.1360240443 C 3.4385274848 1.9623260075 -0.7864208185 C -0.5312080143 0.0646178895 -0.5367612944 C -1.3585188473 1.1187091083 -0.1905763196 C -1.1131345357 -1.1779337846 -0.6667305532 C 4.5217799003 2.5406597513 0.0924949910 C 3.7997326595 1.9308550948 -2.2522983479 C 2.5498737617 -2.3139169010 -0.2810677262 C 2.0421143063 -3.6769101290 0.1033147422 H -5.9814688079 -0.2532798608 1.7859542942 H -4.6508586888 0.9008652046 1.8158565932 H -4.3686915348 -0.7855209279 2.2566065410 H -4.9148692576 -2.1943639396 -1.1986276023 H -4.5835598207 -2.6251509021 0.4790857252 H -6.1556867474 -1.9775226089 0.0298934781 H -5.2015735411 0.2837695323 -1.8523624216 H -5.1598520551 1.5267328114 -0.5999505703 H -6.4775945270 0.3582883056 -0.6387135271 H 2.5173806216 2.5369745636 -0.6528648145 H -0.9657437017 2.1237195089 -0.0837111529 H -0.5239154347 -2.0457830372 -0.9451068449 H 5.4541149276 1.9831073256 -0.0079539154 H 4.7138295213 3.5739673526 -0.1965632598 H 4.2230564316 2.5376652983 1.1408446190 H 4.7108729021 1.3566442046 -2.4254374759 H 3.9711693317 2.9473491687 -2.6059597899 H 2.9960202861 1.5014539024 -2.8506941272 H 2.1794111243 -2.0290312164 -1.2669114997 H 3.6393727841 -2.2889078208 -0.3034497701 H 2.3931683634 -3.9730756226 1.0916577222 H 0.9528477187 -3.7181473424 0.0901622810 H 2.4137994856 -4.4081617667 -0.6145628816 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/water/CONF468/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Tebupirimfos CONF468 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/water/CONF468/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 Tebupirimfos CONF468 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/water/CONF468/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Tebupirimfos CONF468 water 0 1