%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF55/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF55 water

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O   -1.2106651083  -1.2792074091  -0.4619631965
H   -0.2536884896  -1.3652720616  -0.5218444874
H   -1.3671522350  -1.1005670419   0.4916236449
H    0.2355914845   1.1614485103  -2.0936455809
H   -1.4540274288   0.1173430652  -1.4372998299
H    1.3793780314  -1.7659251876   1.3600038698
O   -1.3657541479  -0.8585743770   2.2409846336
H   -1.6847337405  -1.7004270620   2.5804161902
O    1.5198213231   1.2801708941   0.6544134767
H    1.4352293606   1.2319793871  -0.3257109931
H   -0.3857495915  -0.9339359188   2.2751794101
H    0.7035904175   1.7030691207   0.9386188763
O   -1.4703013990   0.9019003324  -2.0334888173
H   -1.6941880109   0.5418458197  -2.8972575229
O    1.2145576971   1.2642761228  -2.0446724323
H    1.3710274651   2.1886281011  -2.2596840115
O    1.3496413938  -1.0513659503   2.0036782552
H    1.4569814449  -0.2318539312   1.4669241115

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF55/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 CONF55 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF55/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 CONF55 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF55/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF55 water

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