%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF65/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF65 water

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O   -0.9875039001  -2.3057953448  -0.9568586436
H   -0.8336313944  -2.1175205914  -0.0006976280
H   -1.9324507784  -2.1780132285  -1.0824614819
H   -0.0478642910   2.3734366620   1.9005079278
H   -0.1406003375  -2.5426839981   2.0178074735
H    1.0850065376  -0.1829585829  -1.8120479255
O   -0.9416570926   2.0006705162  -1.0377399865
H   -0.7126576611   2.7224865682  -1.6310418285
O    1.6579577914  -0.1244132055   1.2984495198
H    1.2862329821   0.7889998841   1.2637020535
H   -0.5423995631   1.1999457560  -1.4533872225
H    1.9140592498  -0.3138934601   0.3904927100
O   -0.4882258422  -1.7354106105   1.6267925337
H    0.2960175803  -1.1442126133   1.5366105710
O    0.5708819070   2.3420202123   1.1645191331
H    0.0022006341   2.2464439677   0.3637750791
O    0.1845176741  -0.1862517770  -2.1496848627
H   -0.2388066660  -0.9699163698  -1.7246927475

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF65/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 CONF65 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF65/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 CONF65 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF65/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF65 water

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