%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF13/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF13 water

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O   -1.8585442369  -1.3215858061   0.4321672671
H   -2.7451423789  -1.1940913472   0.0813279288
H   -1.6149782583  -0.4502333238   0.7979204880
H   -1.3463343608   2.0565673269  -1.7220357573
H   -0.7566533710  -1.1012128858  -1.0678406715
H    0.6088676623   0.3265741898   1.7483437396
O   -0.8474724365   1.1580381123   1.2023861869
H   -1.2828071940   1.8492706254   1.7115210940
O    2.3052526208  -0.7785601204  -0.5550404243
H    2.0078700672  -0.5826105196   0.3615230267
H   -0.7302254931   1.5118869958   0.2869595068
H    2.6400161814   0.0616158312  -0.8824437630
O   -0.1506085363  -0.8395469646  -1.7865405656
H    0.7419211542  -0.8885821056  -1.3802961682
O   -0.4798998985   1.8205225473  -1.3766634748
H   -0.3615044515   0.8732689246  -1.6289507765
O    1.3805087634  -0.2386135439   1.9591215569
H    0.9911574882  -1.0794519981   2.2187291232

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF13/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 CONF13 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF13/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 CONF13 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF13/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF13 water

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