%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF83/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF83 water

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O   -0.6078792819  -1.0964049129  -1.3550050922
H    0.3264624038  -1.2323019843  -1.5434417609
H   -0.6426703399  -0.9832195717  -0.3743835075
H   -0.1720451610   2.3649407223  -1.0971002166
H   -0.9428122742   0.4956595748  -1.8949429447
H    0.8077282468  -3.2599323761   0.3345911198
O   -0.6008336048  -0.8076384081   1.3298284929
H   -0.1236289656  -1.6427946370   1.4817972323
O    1.2704069050   1.1744518516   1.4112128008
H    0.9553225425   1.8069238478   0.7235420385
H    0.0828606816  -0.1042671013   1.3991134928
H    1.1304843694   1.6334980055   2.2449792271
O   -1.1218305230   1.4276321213  -2.1624575987
H   -2.0337777628   1.5844050736  -1.8990202315
O    0.3795910378   2.8936189227  -0.4729066455
H    1.1527209336   3.1470601758  -0.9860111167
O    0.6963953219  -3.3250156123   1.2894081952
H   -0.0487613791  -3.9253969318   1.3917699961

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF83/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction 6Agua-solo CONF83 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF83/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=20)

Electronic spectrum 6Agua-solo CONF83 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF83/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF83 water

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