%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF57/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF57 water

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O   -1.6266131449  -1.9399577686  -0.9200047679
H   -1.1073441017  -2.0360226274  -0.0860240353
H   -1.4555011452  -2.7508983163  -1.4088953836
H   -0.8817518055   3.1459093205   1.0017284482
H    0.4223199434  -1.4794868956   1.4038633645
H   -1.3358138094   0.6520577320  -2.5347346469
O    1.0604788313   1.3137366285  -0.7506661692
H    1.8434264880   1.5437633588  -1.2605016880
O    1.5381463576  -0.1783441071   1.4730191864
H    1.4156579723   0.3132239957   0.6321310659
H    0.4460319118   0.8560319215  -1.3814976519
H    1.1602978786   0.4065122466   2.1383086065
O   -0.2312776045  -2.2170843449   1.3683634540
H   -0.8623685734  -2.0127658707   2.0646848440
O    0.0555185501   3.0678114083   1.2013639280
H    0.4042368351   2.5138360084   0.4823368490
O   -0.5985844715   0.0506814531  -2.3936804857
H   -0.9763733203  -0.6866433203  -1.8543717026

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF57/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 CONF57 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF57/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 CONF57 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF57/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF57 water

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