%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF58/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF58 water

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O   -2.3336035028   0.8155372501   1.0562767456
H   -1.8599285011   1.3146695316   0.3507977865
H   -3.1574609354   0.5370349002   0.6467932062
H   -0.9735457610  -1.2422095504   2.8517218533
H    0.9159797774  -3.0789498605   0.4178624045
H    0.8729187135   1.0779739680  -2.8976551531
O   -1.1467268078   2.2557720442  -0.8769803154
H   -0.8779342031   3.0782481336  -0.4581385760
O    2.3923218918  -0.7434131676  -0.9702810854
H    1.8992320126  -1.2703280468  -0.2987598181
H   -0.3186208045   1.8914469503  -1.2680281580
H    3.1536483313  -0.3953212917  -0.4973421527
O    1.1536330211  -2.2616936348   0.8652889317
H    0.3041492904  -1.9186093167   1.2288145929
O   -1.1684931748  -1.4392523670   1.9313014935
H   -1.5614107532  -0.6086812345   1.5746154537
O    1.1190388206   1.3757133531  -2.0172436268
H    1.5518563116   0.5942356502  -1.6004655400

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF58/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 CONF58 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF58/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 CONF58 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF58/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF58 water

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