%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9-agua-BF3/water/CONF43/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 9-agua-BF3/ CONF43 water

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B      0.71868900    -1.31531000     1.06955600
F      0.42632700    -2.67245600     0.75943900
F     -0.45711800    -0.55060500     0.86476700
F      1.04431000    -1.24427000     2.47341500
H      2.61036600    -1.23289700     0.40055400
H     -1.66336900     0.71660300     1.03743900
H     -1.03460500    -2.41960100    -0.83735300
H     -1.00773500     2.31079600    -0.05594300
H      1.39004400    -0.74336400    -1.45604100
H     -2.51263000     0.98444800    -0.20359100
H      1.72566500    -1.10148000    -2.94491900
H     -0.42733300    -1.77720300    -2.08567500
H      1.48656200     1.92271300     1.61695500
H      1.92098100     0.99198000     0.47924400
H     -0.20445400     1.68541600     3.09677900
H      0.80011200     0.51839600     3.09048500
H     -1.41221300     1.02813900    -2.59107100
H      0.08586200     0.69481500    -2.74484600
H      0.62674300     2.39156200    -0.11172300
H     -0.30377300     2.25099200    -1.49968800
H     -3.62884700    -0.01093600    -2.09769700
H     -2.32017200    -0.80435500    -1.75218900
O      1.77642000    -0.77081900     0.24787500
O     -2.16016300     1.42748200     0.60399200
O      1.02420400    -0.76540200    -2.37295900
O     -1.24795400    -2.20814800    -1.75772900
O      1.81494800     1.94924300     0.68892800
O      0.73352400     1.48392100     3.21518900
O     -0.54780400     1.44517200    -2.79259800
O     -0.24115500     2.71762200    -0.58565900
O     -2.74952500     0.08575200    -1.71074300

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9-agua-BF3/water/CONF43/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction 9-agua-BF3/ CONF43 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9-agua-BF3/water/CONF43/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read 

Wavefunction 9-agua-BF3/ CONF43 water

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$nbo PLOT File=opt-b3lyp bndidx nbcp ncu $end 

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9-agua-BF3/water/CONF43/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 9-agua-BF3/ CONF43 water

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