%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF137/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 9Agua-BF3 CONF137 water

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B    1.2023223998  -2.0750108564  -0.9168961983
F    1.4073951290  -2.3220515035  -2.2651657859
F    1.1617265479  -3.2612994410  -0.1930309035
F    2.2028699641  -1.2473166605  -0.4157690878
O   -0.1427898451  -1.4117356340  -0.7736394084
H   -0.3370150800  -1.0226801857   0.1835204468
H   -0.3326628309  -0.6466803156  -1.4269078368
H   -2.0740669640   1.5923893290  -1.2829659774
H    2.2222204643   1.4012961026  -1.6625866922
H   -0.7956088227  -2.9799503474   3.1320745574
O   -0.6440226988   0.6187130156  -2.2146851122
H    0.1585547882   1.1820902488  -2.0366129622
O   -0.5737377869  -0.4108257484   1.4558126040
H   -1.5362327718  -0.1436425462   1.4968933455
H   -0.6696955531   0.4731748508  -3.1671495669
H   -0.4079072017  -1.1033805320   2.1418332380
O    1.4914514939   2.0099333023  -1.5126764131
H    1.3453971703   1.9851455404  -0.5424014826
O   -2.6904841222   2.0752628760  -0.7100528044
H   -2.1321905780   2.7496056816  -0.2662731279
O    0.0006744140  -2.4379680052   3.1244298551
H    0.6102264302  -2.9277257668   2.5613422970
O   -3.0663625517   0.4115296489   1.3713988882
H   -3.2020168636   0.9927735082   2.1266428427
H   -2.9818370282   1.0221736803   0.5966675119
O   -1.0418828054   3.8482759715   0.5950479961
H   -0.3628807731   3.2036871944   0.8754324706
H   -0.6245034834   4.3308935957  -0.1254937507
O    0.8470690065   1.8979318113   1.1421716536
H    0.3920995330   1.0483464969   1.3310741801
H    1.5151877019   2.0041867368   1.8265672131

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF137/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction 9Agua-BF3 CONF137 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF137/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 9Agua-BF3 CONF137 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF137/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 9Agua-BF3 CONF137 water

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