%chk=/home/paulapla/almacen/ADAMA/censo_results/pyrifenox_Z/octanol/CONF37/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq

Optimization pyrifenox_Z CONF37 octanol

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Cl  -0.8438448375   1.1099835832  -1.8224662232
Cl  -5.3209642845  -0.9143594712   0.3224440089
O    0.8434529325  -2.2943791981  -0.3868311827
N    1.4499919942  -1.1631708010   0.0694682409
N    4.1133768231   2.3875620041  -0.8845178171
C    1.1649319456   1.0243066402   0.9935104701
C    0.6308926346  -0.2651766960   0.4290327597
C   -0.8414275709  -0.4352573962   0.3917331593
C    2.5885587128   1.3088789816   0.6225928154
C   -1.6147435799   0.1719518075  -0.5895809145
C   -1.4890654342  -1.2083321617   1.3496597850
C    3.6601007558   0.7814907026   1.3315247286
C    2.8828610896   2.1057953335  -0.4778793458
C   -2.9931703474   0.0371486042  -0.6244877754
C   -2.8645452952  -1.3613832715   1.3414896176
C   -3.6029777130  -0.7337846622   0.3506048555
C    4.9507185470   1.0696541094   0.9189505166
C    5.1253834538   1.8740407170  -0.1965998029
C    1.8175403732  -3.2649482822  -0.7165080586
H    0.5214627818   1.8446685454   0.6685023084
H    1.0521744907   0.9832880583   2.0820864512
H   -0.9083519444  -1.6957883641   2.1218079449
H    3.4887966676   0.1576960054   2.2003253568
H    2.0744656078   2.5418086581  -1.0573626832
H   -3.5744338599   0.5171326293  -1.3993971049
H   -3.3498065415  -1.9656227115   2.0952363437
H    5.8087282692   0.6787161445   1.4487659721
H    6.1227763590   2.1163984291  -0.5463007384
H    2.4200798466  -3.5482247501   0.1500380414
H    2.4798084177  -2.9253698950  -1.5164769180
H    1.2680710418  -4.1391434016  -1.0619130115

--Link1--
%oldchk=/home/paulapla/almacen/ADAMA/censo_results/pyrifenox_Z/octanol/CONF37/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 CONF37 octanol

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/paulapla/almacen/ADAMA/censo_results/pyrifenox_Z/octanol/CONF37/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 CONF37 octanol

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--Link1--
%oldchk=/home/paulapla/almacen/ADAMA/censo_results/pyrifenox_Z/octanol/CONF37/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 CONF37 octanol

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