%oldchk=/home/apulgar/almacen/pesticidas/G1_new2/Monocrotophos/gaussian/octanol/CONF29/pre-opt.chk
%chk=/home/apulgar/almacen/pesticidas/G1_new2/Monocrotophos/gaussian/octanol/CONF29/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 Monocrotophos CONF29 octanol

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--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/G1_new2/Monocrotophos/gaussian/octanol/CONF29/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 Monocrotophos CONF29 octanol

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/G1_new2/Monocrotophos/gaussian/octanol/CONF29/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 Monocrotophos CONF29 octanol

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--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/G1_new2/Monocrotophos/gaussian/octanol/CONF29/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read

Single Point Monocrotophos CONF29 octanol

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