%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF15/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF15 water

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O   -1.2428891619  -0.2299547934   1.9995643940
H   -2.0277661541   0.2666267386   2.2517618030
H   -1.4213435635  -0.5279188875   1.0844552548
H   -0.0018070542   0.9780865770   1.7599694712
H   -0.8917066815   1.8765521182  -1.5012118432
H    0.1063260445  -1.8429486133  -0.4877624709
O   -1.5101158114  -1.0099490331  -0.6208293811
H   -1.2587381306  -0.2269265825  -1.1680898141
O    1.8128665053   0.6074357862  -0.7054982386
H    1.6526327701  -0.3493706032  -0.5957779559
H   -2.2882260299  -1.3954325514  -1.0349726512
H    1.4846083223   0.9991101187   0.1321024634
O   -0.5499174408   1.1104296254  -1.9734317994
H    0.3536929271   0.9808432551  -1.6010557759
O    0.6878531060   1.6542166819   1.5762110251
H    1.3142217111   1.5689260106   2.3015286964
O    1.0408804948  -2.0918691033  -0.3552641860
H    1.1264984016  -2.1704240944   0.5998551317

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF15/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 CONF15 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF15/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 CONF15 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF15/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF15 water

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