%oldchk=/home/proyectos/herbicida/NuevosCalculos/Fungicides_unique/C/fenaminstrobin/neutral/gaussian/octanol/CONF87/pre-opt.chk
%chk=/home/proyectos/herbicida/NuevosCalculos/Fungicides_unique/C/fenaminstrobin/neutral/gaussian/octanol/CONF87/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq geom=check guess=read

Optimization fenaminstrobin CONF87 octanol

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--Link1--
%oldchk=/home/proyectos/herbicida/NuevosCalculos/Fungicides_unique/C/fenaminstrobin/neutral/gaussian/octanol/CONF87/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 fenaminstrobin CONF87 octanol

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/proyectos/herbicida/NuevosCalculos/Fungicides_unique/C/fenaminstrobin/neutral/gaussian/octanol/CONF87/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 fenaminstrobin CONF87 octanol

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--Link1--
%oldchk=/home/proyectos/herbicida/NuevosCalculos/Fungicides_unique/C/fenaminstrobin/neutral/gaussian/octanol/CONF87/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read

Single Point fenaminstrobin CONF87 octanol

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