%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF23/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF23 water

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O    0.4938192142  -1.5453150927   0.0051534188
H   -0.2639752038  -1.0124219746  -0.3576459176
H    0.3338084150  -2.4517626571  -0.2763915193
H    1.2223789071   1.0999867616  -1.8579195539
H   -0.8236470281   0.7317259307  -1.2972287526
H    1.7918343896  -0.7221328915  -0.9063015722
O   -1.8891367860   0.9529485146   1.7147313944
H   -1.2623654957   0.3088372082   2.1088613935
O   -0.1068678283  -0.9406643541   2.6293174602
H    0.6501798234  -0.4444575999   2.9531339410
H   -2.7582443698   0.6079348897   1.9370591923
H    0.1608964612  -1.2412859555   1.7367177852
O   -1.4222461269   0.0800795410  -0.8768252541
H   -1.6482488935   0.4654170335  -0.0051564865
O    0.4904077505   1.7245739075  -2.0537869674
H    0.3377240889   1.6252451832  -2.9987110455
O    2.3976638382  -0.1489902434  -1.4196336986
H    2.9545581570   0.2688124285  -0.7562182170

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF23/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 CONF23 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF23/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 CONF23 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF23/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF23 water

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