%chk=/home/paulapla/almacen/ADAMA/censo_results/pyrifenox_Z/octanol/CONF13/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq

Optimization pyrifenox_Z CONF13 octanol

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Cl  -0.7264491327  -1.1963320415  -2.7134209086
Cl  -4.3559395858   1.0516423126   0.5291635558
O    0.6254386621  -3.0186225939   0.6316672669
N    1.5832247464  -2.2536383304   0.0361549071
N    1.7925026311   3.2391632152   0.5847575465
C    2.1277213685  -0.1706097487  -0.9781102512
C    1.1544521505  -1.1206067467  -0.3392829589
C   -0.2295393801  -0.6355221863  -0.1198413498
C    2.3786380383   1.0091172627  -0.0775249679
C   -1.1581189180  -0.5901174570  -1.1519651101
C   -0.6148613667  -0.1593537173   1.1294200338
C    3.3192532044   0.9520720813   0.9439579421
C    1.6430279626   2.1827574490  -0.2032087947
C   -2.4316688524  -0.0761231770  -0.9687565291
C   -1.8799012333   0.3595059623   1.3430300025
C   -2.7755631970   0.3982243304   0.2858092153
C    3.4889727250   2.0510306187   1.7696109839
C    2.6999249807   3.1703160918   1.5504487340
C    1.1855801585  -4.2392674043   1.0747209276
H    3.0591711615  -0.6973693930  -1.1868175092
H    1.7278905988   0.1734974038  -1.9349828070
H    0.0908544077  -0.1848841119   1.9496423590
H    3.9150123128   0.0583484932   1.0891257366
H    0.8966870776   2.2727389961  -0.9872284056
H   -3.1382715247  -0.0497915661  -1.7867185378
H   -2.1591735174   0.7286713337   2.3200630644
H    4.2181995666   2.0439313606   2.5684302503
H    2.8060475832   4.0471228947   2.1793220146
H    0.3766509669  -4.7853559252   1.5572156811
H    1.9857520807  -4.0803737173   1.8015232524
H    1.5694462336  -4.8382927822   0.2458456379

--Link1--
%oldchk=/home/paulapla/almacen/ADAMA/censo_results/pyrifenox_Z/octanol/CONF13/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 pyrifenox_Z CONF13 octanol

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/paulapla/almacen/ADAMA/censo_results/pyrifenox_Z/octanol/CONF13/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 pyrifenox_Z CONF13 octanol

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--Link1--
%oldchk=/home/paulapla/almacen/ADAMA/censo_results/pyrifenox_Z/octanol/CONF13/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read

Single Point pyrifenox_Z CONF13 octanol

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