%chk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/numerouno/octanol/CONF2/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization numerouno/ CONF2 octanol 0 1 Cl 0.6931303363 3.1758679136 0.0496061055 Cl -1.9354529903 -2.4197248826 -0.3888185834 Cl -3.6961325461 0.1029667034 0.3057132577 O 2.0537349045 0.7469192739 -0.5648703551 O 2.8352195419 -0.6880357064 1.4944121885 O 3.7388740139 -2.2933421543 0.2223532721 C 0.7478043066 0.5153453492 -0.3733653818 C -0.0449408745 1.6256926391 -0.0685163191 C 0.1398984986 -0.7285495299 -0.4686872520 C -1.2261706446 -0.8593860611 -0.2612694820 C -1.4021334440 1.4945686498 0.1377201016 C -2.0027614353 0.2475625668 0.0429805292 C 2.9106889054 -0.3310789126 -0.8419766336 C 3.1996314005 -1.2239902706 0.3463757835 H 0.7045805547 -1.6175776825 -0.7144213836 H -1.9987281036 2.3647191981 0.3747955604 H 2.5619911211 -0.9427639227 -1.6784511766 H 3.8591649745 0.1119422783 -1.1531430817 H 3.0508269695 -1.2844770535 2.2285846219 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/numerouno/octanol/CONF2/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/ CONF2 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/numerouno/octanol/CONF2/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/ CONF2 octanol 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/2_herbicidas/group4/numerouno/octanol/CONF2/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/ CONF2 octanol 0 1