%chk=/home/apulgar/almacen/pesticidas/6_herbicides/bromoxynil/gaussian/water/CONF1/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq

Optimization bromoxynil CONF1 water

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Br   2.8194782542   0.8354988956   0.0017958755
Br  -2.8483564213   0.8052945872   0.0013714480
O    0.0818085645   1.9468591471   0.0022633537
N    0.0045561383  -4.7519440722   0.0106541556
C   -0.0048227193   0.6222406410   0.0006172312
C    0.0015112885  -2.1755151729  -0.0049481391
C    1.1955085207  -0.1030514440  -0.0002059354
C   -1.2004969789  -0.1082904645  -0.0003623908
C    1.2089562358  -1.4809260839  -0.0028683699
C   -1.2072954175  -1.4890951892  -0.0030018948
C    0.0040899656  -3.5984260742  -0.0016374239
H    2.1424012103  -2.0272410457  -0.0027888928
H   -2.1377527536  -2.0406639318  -0.0030005294
H   -0.7754726065   2.3926341967   0.0023421535

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/6_herbicides/bromoxynil/gaussian/water/CONF1/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction bromoxynil CONF1 water

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/6_herbicides/bromoxynil/gaussian/water/CONF1/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10)

Electronic spectrum bromoxynil CONF1 water

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--Link1--
%oldchk=/home/apulgar/almacen/pesticidas/6_herbicides/bromoxynil/gaussian/water/CONF1/opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read

Single Point bromoxynil CONF1 water

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