%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF29/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF29 water

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O   -1.6024783889   0.9420613609  -0.0020540417
H   -1.5377500419   0.2124472244   0.6617021416
H   -2.4558261412   1.3612047732   0.1475695478
H    0.7832863531   2.8754308672  -0.7231961979
H    1.4820285871   0.7287589917  -0.6758542324
H   -0.8381641188  -0.3475905340  -2.9175276273
O   -1.2690459989  -1.1731155951   1.6233698455
H   -0.2833912068  -1.2105200563   1.6308320790
O    1.4372878811  -1.1856812790   1.5444793480
H    1.6748655529  -0.4296540515   2.0902158318
H   -1.5286210262  -1.8774290194   1.0204296282
H    1.5670191197  -0.8692300430   0.6195711177
O    1.6921910360  -0.1828042982  -0.9636628508
H    0.8729823874  -0.4804647832  -1.4034437644
O    0.8057813460   2.2677087537   0.0224822384
H   -0.1011566831   1.9010437292   0.0640957664
O   -0.8340438229  -0.8149941468  -2.0765404743
H   -1.2425476583  -0.1907354794  -1.4504968073

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF29/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 CONF29 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF29/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 CONF29 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF29/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF29 water

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