%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF18/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF18 water

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O   -1.2668984290  -1.0348608513  -0.5782356725
H   -1.5904222076  -0.1092350824  -0.7023261576
H   -2.0431375378  -1.6005731263  -0.6297378370
H   -1.2337610211   2.2534029114   2.1880565682
H   -0.3082815307  -0.7474775707   1.0401787526
H    0.1980069966  -1.4178512992  -1.4843086371
O   -2.0056463134   1.5448219672  -0.7442321257
H   -1.5086549645   1.9131031120  -1.4814717416
O    2.6096722498  -0.6072319988   0.1654166914
H    2.1175324153  -0.9655612789  -0.6062158508
H   -1.5149826513   1.8412261651   0.0574537869
H    3.0561729926  -1.3725086446   0.5401383368
O    0.3146021334  -0.3953587752   1.6995432109
H    1.1753464880  -0.4256532657   1.2314321114
O   -0.5804248057   2.1597950002   1.4877603608
H   -0.2098258851   1.2549847935   1.6176851995
O    1.0784891524  -1.5838882227  -1.8810952267
H    1.1366300579  -0.9602522029  -2.6114326728

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF18/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 CONF18 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF18/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 CONF18 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF18/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF18 water

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