%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF40/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF40 water

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O   -1.3139675440  -2.0335141465  -0.9281994610
H   -1.0671859183  -1.7374850657  -0.0217614091
H   -2.2294867695  -1.7560691386  -1.0321788598
H   -1.2281038197   1.1996574325   1.4851011704
H   -0.5834421924  -1.8708673876   2.1776602884
H    0.8889165908  -0.8940340278  -2.7676813354
O    0.8792280732   1.4552934552  -0.7982675274
H    1.4474789791   2.0843298169  -1.2528089746
O    1.7752298254   0.1039607319   1.3938199699
H    1.6533323990   0.7537703278   2.0938572871
H    0.5956018999   0.7939258935  -1.4792325585
H    1.5623859758   0.6000419492   0.5735416531
O   -0.6407836036  -1.1560282120   1.5366232425
H    0.2592045693  -0.7595516009   1.5083213395
O   -1.1052612210   2.0874432865   1.1390914863
H   -0.4519306114   1.9659635602   0.4319263637
O    0.0935707029  -0.4015479231  -2.5421683272
H   -0.4268472487  -1.0169712243  -1.9713544855

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF40/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 CONF40 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF40/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 CONF40 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF40/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF40 water

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