%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF24/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF24 water

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O   -0.8674371959  -1.5140512697   0.6225885033
H   -1.1909836763  -2.3385552473   0.9988949357
H    0.1123175960  -1.5148221174   0.7593428891
H    0.6823223825   2.8920705896   0.8133326470
H   -1.3720023529   0.0094897328   1.3530527443
H    1.0570168620   1.2737245938  -0.6932752882
O   -0.7531717222  -0.8805023959  -2.0903867631
H   -0.8817122865  -1.2022514294  -1.1775818709
O    1.8029974978  -1.2801564433   0.7944383770
H    2.1706860838  -2.0600010896   0.3668588572
H   -1.3479074125  -0.1270240190  -2.1567623274
H    1.8032189325  -0.5887483356   0.0887720175
O   -1.5731676826   0.9116784984   1.6792632786
H   -2.4510739184   1.1027578575   1.3351270036
O    0.0911587245   2.4661619355   0.1855038542
H   -0.5087671478   1.9188835420   0.7406736183
O    1.5260223367   0.5569978999  -1.1735705724
H    0.8058813713   0.0675954116  -1.6130886837

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF24/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 CONF24 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF24/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 CONF24 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF24/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF24 water

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