%chk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/numerouno/octanol/CONF6/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization numerouno/ CONF6 octanol 0 1 Cl 0.8697605112 2.7851525226 0.4050245192 Cl -2.5682434298 -2.2945778539 -0.4880027162 Cl -3.9519817979 0.5317500311 -0.2653561204 O 1.8647988735 0.1209020590 0.1701308125 O 4.6812069859 -1.9780350649 0.1577058867 O 4.4971089503 0.2414430649 0.3917522273 C 0.5333472864 0.1340598404 0.0610112482 C -0.0929814288 1.3812344359 0.1574113680 C -0.2543882374 -0.9913047381 -0.1386347556 C -1.6338639542 -0.8732739786 -0.2397629822 C -1.4631660795 1.4962495820 0.0571591090 C -2.2444051512 0.3665806291 -0.1427430122 C 2.5312701226 -1.1118278477 0.0809657885 C 4.0054476869 -0.8411534761 0.2301767578 H 0.1855149991 -1.9756539557 -0.2188516115 H -1.9306464788 2.4684275907 0.1345597526 H 2.2158990042 -1.8045440714 0.8696925389 H 2.3568953290 -1.6014456583 -0.8841196221 H 5.6315018671 -1.8110773266 0.2538428325 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/numerouno/octanol/CONF6/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx Wavefunction numerouno/ CONF6 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/numerouno/octanol/CONF6/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum numerouno/ CONF6 octanol 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/numerouno/octanol/CONF6/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point numerouno/ CONF6 octanol 0 1