%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF35/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF35 water

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O    0.5988066373  -0.5349268065   2.4876445802
H   -0.1625358147  -0.1505366385   2.0026637187
H    0.2102059914  -1.2144755822   3.0470142489
H   -1.3410481311   2.8536202061  -0.9772547538
H    0.2150591545  -0.0108736150  -1.8770674428
H    2.2797684060  -1.3352379260  -0.0291357111
O   -1.4456195641   0.4347020484   0.9575549915
H   -2.3005339959   0.6331290082   1.3521556319
O   -0.5746370339  -1.3711297999  -1.0914430966
H   -1.0598782465  -0.8485989167  -0.4318505983
H   -1.1693967815   1.2531041488   0.4788591148
H    0.2119266218  -1.6845536641  -0.5971035557
O    0.6569022080   0.8042559531  -2.2061167332
H    0.2877470785   0.9479748816  -3.0827681813
O   -0.5696386500   2.5252156613  -0.5054096793
H   -0.0956910283   1.9644840224  -1.1631765639
O    1.6764559523  -1.9457590644   0.4057166210
H    1.3460467643  -1.4492060677   1.1875460325

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF35/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 CONF35 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF35/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 CONF35 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF35/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF35 water

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