%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF14/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF14 water

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O   -1.2335237533  -1.9888572443   0.5295657277
H   -0.8469266072  -2.8668483586   0.5971249789
H   -1.0270223306  -1.6968857582  -0.3861889472
H    0.2164641239   2.2613885686  -1.7825823293
H   -1.4311112224  -1.0698020728  -2.4943258725
H   -0.1623094800  -0.9606282997   1.4934215003
O   -0.9024963834   1.9036585184   1.1867125106
H   -1.8206304231   1.6227344255   1.1186843609
O    2.2974222081   0.0857532841  -0.1616774142
H    1.6365194903   0.6415636394  -0.6183239833
H   -0.4331954293   1.1211594142   1.5622101040
H    2.2021614671  -0.7731008869  -0.5851242060
O   -0.6173261357  -1.1042428988  -1.9819600817
H   -0.3884834478  -0.1696804461  -1.8138981258
O    0.1418976978   1.4538733703  -1.2644756260
H   -0.2901233176   1.7070942830  -0.4141954228
O    0.4385766216  -0.3303388904   1.9470206829
H    1.1715050769  -0.2170247004   1.3132480601

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF14/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 CONF14 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF14/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 CONF14 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF14/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF14 water

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