%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF63/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF63 water

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O   -0.3336027025  -1.7653647110  -0.4401232085
H   -0.1398681033  -1.0221566560  -1.0208241718
H    0.3942531226  -1.7425870886   0.2227748142
H   -2.2562380878   0.6842081601  -0.5552289458
H   -1.8077879958  -1.1532946540   0.2371682187
H    1.8013383832   1.1611909109  -0.0803503446
O    0.3916356402   2.1469202097   0.0203911301
H   -0.4261219278   1.8438169470  -0.4360641439
O    1.7641541625  -1.5655748128   1.2736054561
H    2.3453568585  -2.2865802300   1.0125953931
H    0.1702508591   2.1128364714   0.9559472572
H    2.1358566640  -0.7719116193   0.8222522641
O   -2.6310851178  -0.6749943533   0.4892686448
H   -3.3296446334  -1.1370286146   0.0151348174
O   -1.9383822532   1.3941872046  -1.1570776534
H   -1.7111118920   0.9302934002  -1.9691105565
O    2.6251112023   0.6213510077  -0.0617695073
H    3.2178202600   1.1067646670   0.5203199926

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF63/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 CONF63 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF63/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 CONF63 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF63/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF63 water

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