%chk=/home/valentin/Almacen/Insecticides/G1/Fenobucarb/gaussian/octanol/CONF23/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq

Optimization Fenobucarb/ CONF23 octanol

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O   -0.9700242276  -0.4796646426   1.0185138449
O   -1.7950162272  -0.3995867579  -1.0849959518
N   -3.0592295242   0.1859853553   0.7047061667
C    1.1262639961   1.3691363997   0.2188697494
C    1.1877459977   1.9336167814  -1.2075486592
C    1.2596597137  -0.1366936048   0.1889453715
C    2.1748482501   1.9915999218   1.1405908726
C    0.2238114881  -0.9940442012   0.5463793842
C    0.9527534273   3.4348106404  -1.2827020788
C    2.4561496177  -0.7313573021  -0.2164224714
C    0.3561958899  -2.3740492936   0.5020149294
C    2.6080983899  -2.1074800321  -0.2678145625
C    1.5541584044  -2.9355610402   0.0941129736
C   -1.9433017961  -0.2381042015   0.1069008975
C   -4.2330274928   0.5449439159  -0.0550882249
H    0.1460606219   1.6295432821   0.6262368852
H    0.4361887086   1.4226408980  -1.8151580069
H    2.1573410077   1.6932079753  -1.6545163568
H    3.1859140809   1.8753847908   0.7448554243
H    1.9954453584   3.0587102986   1.2751447006
H    2.1497129014   1.5336946905   2.1305338712
H    0.0171265505   3.7161543893  -0.7942223481
H    1.7557967250   4.0036991762  -0.8124702471
H    0.8911006813   3.7643107862  -2.3210051123
H    3.2892404066  -0.1004643333  -0.5024871660
H   -0.4773150425  -3.0011274829   0.7940648042
H    3.5498643653  -2.5335293762  -0.5889679201
H    1.6616811608  -4.0117693033   0.0581769000
H   -3.0637254226   0.3141737544   1.7040577958
H   -5.0465293191   0.7320977384   0.6407399876
H   -4.5390906565  -0.2613711718  -0.7209020530
H   -4.0789747594   1.4473124385  -0.6493344024

--Link1--
%oldchk=/home/valentin/Almacen/Insecticides/G1/Fenobucarb/gaussian/octanol/CONF23/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 Fenobucarb/ CONF23 octanol

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/valentin/Almacen/Insecticides/G1/Fenobucarb/gaussian/octanol/CONF23/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 Fenobucarb/ CONF23 octanol

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--Link1--
%oldchk=/home/valentin/Almacen/Insecticides/G1/Fenobucarb/gaussian/octanol/CONF23/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read

Single Point Fenobucarb/ CONF23 octanol

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