%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF56/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF56 water

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O    0.0913818642  -1.8957847700   1.4769183453
H    0.3455683440  -1.1411316380   2.0172886854
H    0.7331984486  -1.8834237220   0.7287936190
H   -2.7297867317   1.9692047582  -0.0801964326
H   -1.3608961375  -1.3837828116   0.7220494986
H    1.7616267091   0.9335102890   0.8269372409
O    0.0541628063   1.9927706357  -1.4805691544
H   -0.6888932755   1.8810356236  -0.8401695530
O    1.8401726563  -1.7086061521  -0.5817006211
H    1.9851600428  -0.7408745087  -0.4538923146
H    0.2192190421   2.9404288995  -1.5002662157
H    2.6569421579  -2.1177203939  -0.2823319213
O   -2.1703915303  -1.0571961386   0.2623307557
H   -2.0182340754  -1.2636721986  -0.6642160391
O   -1.9200279050   1.6264773814   0.3102320146
H   -2.0379741973   0.6462015197   0.3108532461
O    2.0910593155   0.9262278146  -0.0772119624
H    1.3649822615   1.3373193439  -0.6050731600

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF56/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 CONF56 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF56/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 CONF56 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF56/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF56 water

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