%chk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/water/CONF450/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Tebupirimfos CONF450 water 0 1 S 2.0137828945 0.3274792939 2.3077672242 P 1.9947993674 -0.4603289550 0.5623409675 O 1.9136125392 0.5222363236 -0.6825636576 O 0.7512510589 -1.4750030184 0.2569970907 O 3.2203928174 -1.4271868323 0.3002378890 N -2.5191562938 -0.2054508828 1.1237719868 N -2.2970700298 -0.2222350313 -1.2162114602 C -4.3572840306 0.6488629229 -0.2132682450 C -4.3016585684 2.0445271484 0.4211131549 C -5.3669945999 -0.2191082913 0.5443322241 C -4.8085944729 0.7794558786 -1.6649086025 C -2.9771428075 0.0313334909 -0.1052368466 C 1.9355000276 1.9762541349 -0.6152696556 C -0.5169150073 -0.9636395219 0.1400174398 C -1.3007995646 -0.7017832819 1.2495489069 C -1.0694243974 -0.7085908830 -1.0974097116 C 2.7613259389 2.4533395042 -1.7871119607 C 0.5142665173 2.4908040920 -0.6361014328 C 3.3822002842 -2.2115678327 -0.9097989339 C 4.8239686378 -2.6341241911 -0.9990429307 H -3.5733415663 2.6821719308 -0.0842164052 H -4.0341769949 1.9987874738 1.4767028692 H -5.2768149528 2.5290658067 0.3448604519 H -5.1283501925 -0.2919776406 1.6047224648 H -6.3656025368 0.2126230220 0.4572091438 H -5.4076007619 -1.2309802127 0.1364261209 H -5.8021882686 1.2300363323 -1.6928687876 H -4.8739110945 -0.1882167279 -2.1632683127 H -4.1433651173 1.4148935401 -2.2490556637 H 2.4196275933 2.2684224017 0.3192011637 H -0.9395753707 -0.9050509571 2.2514061670 H -0.5171567453 -0.9106088416 -2.0088295188 H 3.7788775189 2.0652390572 -1.7415405570 H 2.3151503695 2.1559002389 -2.7372669788 H 2.8190455172 3.5414868411 -1.7702650136 H 0.5223544382 3.5791798914 -0.5739345897 H -0.0632421414 2.1155209637 0.2102055216 H 0.0040403185 2.2106309654 -1.5587430606 H 2.7230452691 -3.0781396044 -0.8521735980 H 3.0987716794 -1.6202068227 -1.7816417838 H 4.9584962861 -3.2418043507 -1.8937745325 H 5.4902041761 -1.7752401698 -1.0742936798 H 5.1204896102 -3.2358326176 -0.1400256487 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/water/CONF450/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 CONF450 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/water/CONF450/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 CONF450 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1/Tebupirimfos/gaussian/water/CONF450/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Tebupirimfos CONF450 water 0 1