%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF17/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF17 water

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O   -1.9252413523  -1.8715467989   0.0201709233
H   -1.1828144827  -1.5602142618   0.5899589316
H   -2.6524826278  -2.0205072852   0.6311614024
H    1.2623860113   1.6016337536  -0.4324674405
H    0.9159981410  -1.0221101487   1.0987757581
H   -1.1182770098   1.3136697521  -0.3289084855
O   -2.3596127387   0.5209118469  -1.1876237071
H   -2.0456338203   0.4139557211  -2.0900249063
O    2.4734942944  -1.1130178427   0.1904953916
H    2.4248874273  -0.2026537472  -0.1754969684
H   -2.2689965844  -0.3739664392  -0.7854120941
H    3.1393968700  -1.0561849159   0.8826764763
O    0.0633212774  -0.8133836445   1.5337835305
H   -0.1120509904   0.1015547911   1.2483844393
O    2.1736755772   1.4461361882  -0.7531103044
H    2.0839139236   1.3686907113  -1.7074373954
O   -0.3832235716   1.6571438636   0.2356106905
H   -0.7286851515   2.4376726304   0.6785631261

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF17/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 CONF17 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF17/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 CONF17 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF17/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF17 water

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