%chk=/home/paulapla/almacen/ADAMA/censo_results/pyrifenox_Z/octanol/CONF51/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq

Optimization pyrifenox_Z CONF51 octanol

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Cl  -0.8869382888   0.1637926166  -2.3104651996
Cl  -5.3108931981  -0.9503837434   0.5101982756
O    0.8758476783  -2.0498457089  -0.3462271531
N    1.4420376997  -0.8554839876  -0.0207977592
N    4.4493593926   2.1188199533  -0.7578058069
C    1.0669585145   1.3962445796   0.6960600762
C    0.5933366925   0.0222765454   0.3177509335
C   -0.8678562346  -0.2242556891   0.3588244204
C    2.5520292245   1.5620465049   0.5999314731
C   -1.6414777332  -0.1829846380  -0.7950044078
C   -1.5015727742  -0.4965161084   1.5648070993
C    3.3962028500   1.2469146552   1.6559010895
C    3.1412515627   1.9953743773  -0.5818582904
C   -3.0086010540  -0.4008162671  -0.7642549915
C   -2.8663701257  -0.7247375979   1.6260686095
C   -3.6055550413  -0.6731961451   0.4560224315
C    4.7654243082   1.3737801198   1.4865988504
C    5.2427559464   1.8079035381   0.2597556432
C    1.8756416609  -2.9575781741  -0.7646726404
H    0.5579616743   2.1189490472   0.0503085010
H    0.7181926140   1.6163830756   1.7097844902
H   -0.9183722969  -0.5381301658   2.4757009264
H    2.9889357671   0.9054744333   2.6000700695
H    2.5150032309   2.2557585461  -1.4302220578
H   -3.5930124611  -0.3622075010  -1.6727937007
H   -3.3396965313  -0.9414145606   2.5732754566
H    5.4535893755   1.1372685005   2.2866414755
H    6.3092406313   1.9097694404   0.0928777256
H    2.6089463280  -3.1487893878   0.0225429175
H    2.3955876032  -2.6080710891  -1.6596765589
H    1.3600316839  -3.8870738321  -0.9983000236

--Link1--
%oldchk=/home/paulapla/almacen/ADAMA/censo_results/pyrifenox_Z/octanol/CONF51/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 CONF51 octanol

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/paulapla/almacen/ADAMA/censo_results/pyrifenox_Z/octanol/CONF51/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 CONF51 octanol

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--Link1--
%oldchk=/home/paulapla/almacen/ADAMA/censo_results/pyrifenox_Z/octanol/CONF51/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 CONF51 octanol

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