%chk=/home/davidvar/Almacen/Triazines/Propazine/gaussian/octanol/CONF5/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq

Optimization Propazine/ CONF5 octanol

0 1
Cl   3.8496785106  -0.0007216177   0.0002814181
N   -0.4287250829  -2.2950152427   0.1439013736
N   -0.4279509807   2.2956694954   0.1331051394
N   -0.5040525117   0.0002032449   0.0864114953
N    1.5553869355   1.1782974915   0.0657181263
N    1.5550028168  -1.1786552464   0.0712852013
C   -1.8701516271  -2.4843220649   0.1456045041
C   -1.8693006147   2.4855491331   0.1342384984
C   -2.2004807237  -3.7250479848   0.9600920640
C   -2.4192127541  -2.5754017510  -1.2722575205
C   -2.4184548530   2.5716039895  -1.2838986325
C   -2.1991429932   3.7293590384   0.9441909067
C    0.2043823354  -1.1249981049   0.0983561979
C    0.2047438427   1.1252198228   0.0930533220
C    2.1147599806  -0.0003130347   0.0504796009
H   -2.3108146583  -1.6162424843   0.6372760057
H   -2.3102228264   1.6194465498   0.6291518159
H    0.1548939651  -3.1176647235   0.1024869701
H    0.1559973823   3.1178919027   0.0880151662
H   -1.7427541285  -4.6186683250   0.5291480381
H   -1.8546721069  -3.6292808890   1.9900452989
H   -3.2781468299  -3.8867874652   0.9831375047
H   -1.9914188705  -3.4267855042  -1.8054639473
H   -2.1992741469  -1.6716196669  -1.8420708620
H   -3.5029586115  -2.7003369618  -1.2558582820
H   -1.9901706470   3.4206711135  -1.8203930228
H   -2.1991893288   1.6655295290  -1.8503283551
H   -3.5021161961   2.6973065509  -1.2678550567
H   -1.8532969365   3.6372440603   1.9744615670
H   -3.2767540465   3.8915480012   0.9667136607
H   -1.7411549137   4.6212485728   0.5099534902

--Link1--
%oldchk=/home/davidvar/Almacen/Triazines/Propazine/gaussian/octanol/CONF5/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/ CONF5 octanol

0 1

opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/davidvar/Almacen/Triazines/Propazine/gaussian/octanol/CONF5/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/ CONF5 octanol

0 1

--Link1--
%oldchk=/home/davidvar/Almacen/Triazines/Propazine/gaussian/octanol/CONF5/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/ CONF5 octanol

0 1