%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9-agua-BF3/water/CONF39/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 9-agua-BF3/ CONF39 water

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B      0.78185500    -1.50942800     1.23736300
F      0.84895400    -2.88713900     0.99121600
F     -0.53724600    -1.07021200     1.04617600
F      1.13906800    -1.28490500     2.58632100
H      2.56324600    -1.03882800     0.38599900
H     -1.98019700     0.78814000     1.09336200
H     -1.21169900    -2.56809200    -1.07691200
H     -1.22470500     2.23885800    -0.07883200
H      1.73678100    -1.04736800    -2.84895400
H     -2.62236300     0.86070400    -0.30286000
H      1.27552700    -0.74008600    -1.39805600
H     -0.46105600    -1.82671800    -2.18492600
H      1.42922900     2.01460500     1.61442400
H      1.68706000     1.01630300     0.47070200
H      1.05156600     0.77672100     3.28177400
H      1.91671300     1.93000700     3.76282500
H     -1.39347400     1.05582600    -2.64459800
H      0.11226700     0.76969300    -2.71345700
H      0.43647400     2.39892100    -0.04057600
H     -0.42018700     2.25657800    -1.48779800
H     -3.59890800    -0.10373800    -2.22096500
H     -2.28029200    -0.84857700    -1.85092400
O      1.64251600    -0.75966600     0.32846700
O     -2.40189400     1.40715700     0.48665700
O      0.98236900    -0.74253600    -2.33479800
O     -1.31398900    -2.26108500    -1.98288900
O      1.61585700     1.97924100     0.64774100
O      1.08976700     1.74038200     3.30847300
O     -0.53577000     1.50232900    -2.78895200
O     -0.43900100     2.68975500    -0.55113400
O     -2.73199100     0.02979000    -1.82501500

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9-agua-BF3/water/CONF39/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/ CONF39 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9-agua-BF3/water/CONF39/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/ CONF39 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/CONF39/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/ CONF39 water

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