%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF26/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF26 water

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O   -0.9853285026  -1.3636535959   1.7848911095
H   -1.3213807392  -0.6098696798   1.2420500286
H   -1.4992793267  -2.1217670080   1.4907427677
H    0.9578762343   1.6422987788  -0.0505990206
H    0.0095686954  -0.0604394485  -1.9204078246
H    2.0934073225  -1.4865820210   1.4738214632
O   -1.8243421649   0.6981912521   0.2595384541
H   -1.6324611548   0.3497420847  -0.6334195484
O    1.5384865821   0.2419741826  -1.0138368462
H    2.3833326892   0.2418893409  -1.4737094538
H   -1.0994615327   1.3374228075   0.4059511292
H    1.5758471062  -0.5062504084  -0.3642770046
O   -0.9045432520  -0.1766801596  -2.2480737220
H   -1.0682395525   0.6115641815  -2.7743628015
O    0.4702214643   2.3045438322   0.4786106483
H    0.7776987499   2.1637511194   1.3790428837
O    1.4849778651  -1.7343336586   0.7709798339
H    0.5864048501  -1.6179364786   1.1643322163

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF26/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 CONF26 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF26/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 CONF26 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF26/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF26 water

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