%chk=/home/davidvar/Almacen/Triazines/Propazine/gaussian/octanol/CONF3/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq

Optimization Propazine/ CONF3 octanol

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Cl   3.8426156028  -0.0010087109   0.0252654065
N   -0.4362952211  -2.2932933760  -0.0752171791
N   -0.4305918743   2.3008850118  -0.1306964557
N   -0.5098950879   0.0051660377  -0.0542198727
N    1.5502730719   1.1807508446  -0.0526420380
N    1.5464252683  -1.1763740604  -0.0274964289
C   -1.8751126549  -2.4968474738  -0.0649116677
C   -1.8700181671   2.5013833890  -0.1223701504
C   -2.3592240936  -2.8740716052   1.3290122226
C   -2.2442646695  -3.5541196210  -1.0943187549
C   -2.2267677391   3.6152893673  -1.0943237000
C   -2.3728594900   2.7968666866   1.2846347508
C    0.1954077624  -1.1216281762  -0.0507508685
C    0.1992343384   1.1291590422  -0.0764309423
C    2.1075571358   0.0014312574  -0.0243148314
H   -2.3328810998  -1.5514259996  -0.3535167362
H   -2.3243871231   1.5741528611  -0.4704981809
H    0.1517384222  -3.1132000026  -0.0333528939
H    0.1570462987   3.1213789596  -0.0986487019
H   -2.1128609394  -2.1001387738   2.0568972901
H   -3.4421654498  -3.0062282976   1.3376744215
H   -1.9063549830  -3.8100736563   1.6628669819
H   -1.7749523653  -4.5138788263  -0.8656566886
H   -1.9362923563  -3.2561289308  -2.0971199023
H   -3.3233109026  -3.7103893597  -1.1080938593
H   -3.3054847103   3.7729364215  -1.1106086851
H   -1.7595242630   4.5602000786  -0.8071462120
H   -1.9086464974   3.3738168767  -2.1091345365
H   -2.1301226757   1.9841227759   1.9703023170
H   -3.4567774300   2.9214398028   1.2878788795
H   -1.9300633458   3.7150662612   1.6763595472

--Link1--
%oldchk=/home/davidvar/Almacen/Triazines/Propazine/gaussian/octanol/CONF3/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 Propazine/ CONF3 octanol

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/davidvar/Almacen/Triazines/Propazine/gaussian/octanol/CONF3/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 Propazine/ CONF3 octanol

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--Link1--
%oldchk=/home/davidvar/Almacen/Triazines/Propazine/gaussian/octanol/CONF3/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read

Single Point Propazine/ CONF3 octanol

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