%chk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/florpyrauxifen/water/CONF12/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization florpyrauxifen CONF12 water 0 1 Cl 4.9063716674 -0.5835551548 0.1100083534 Cl -5.3586189723 1.0052765103 -0.8145397767 F -1.5172087787 -1.6510610437 0.9892790976 F 0.3074200772 -2.2660259217 -0.9006456536 O -4.1544309187 -1.2603673007 0.6404388565 O 2.6926773859 3.1796917822 0.3806181106 O 4.3927562315 2.0311091924 1.2591318013 N 1.2583443616 1.0053698795 0.1626724917 N 2.9754306542 -2.6655002894 -0.7010392557 C -0.9477383628 0.2152187626 -0.3264490880 C 0.5010191123 -0.0285962387 -0.1860789709 C -1.9004002504 -0.6106831043 0.2464360889 C 1.0654607271 -1.2508704109 -0.4735674877 C -1.3975681013 1.3292800175 -1.0321110154 C 2.4412330636 -1.4769590704 -0.3804180862 C -3.2662099377 -0.3944698962 0.1051085813 C 2.5691058013 0.8491929297 0.2645573772 C 3.2010733820 -0.3645382419 0.0213683355 C -2.7472183396 1.5849920966 -1.1849833568 C -3.6719479064 0.7224747181 -0.6164088617 C 3.3298273744 2.0640058620 0.6918232904 C -4.5652229988 -0.9456522509 1.9724820375 H -0.6779269664 1.9974999391 -1.4835222011 H -3.0770486195 2.4482707568 -1.7450991101 H 2.3816420473 -3.4685418525 -0.8164297339 H 3.9389333604 -2.8575632612 -0.4880567109 H -5.0347492710 0.0384596934 2.0271166589 H -3.7258710592 -0.9780781401 2.6697085481 H -5.2935137096 -1.6992303250 2.2621720128 H 3.2065388020 3.9416703261 0.6903119487 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/florpyrauxifen/water/CONF12/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction florpyrauxifen CONF12 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/florpyrauxifen/water/CONF12/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 florpyrauxifen CONF12 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/florpyrauxifen/water/CONF12/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point florpyrauxifen CONF12 water 0 1