%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF36/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF36 water

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O   -1.3872215949  -0.7005213129  -1.0861946705
H   -2.0654345276  -1.2110345045  -1.5395339168
H   -1.0133795955  -1.2994422540  -0.3916376209
H    1.0648265798   1.2586571924  -0.7162967173
H    0.3491364275  -1.5193068994   1.2369297913
H    1.5904940802  -0.4811247332  -2.0275473282
O   -1.8106171179   1.5446483509   0.4901934738
H   -1.7964531137   0.7580177281  -0.0891522947
O    1.4071754816  -0.3151476455   1.8657107475
H    1.2915376290   0.4458219753   1.2485765493
H   -1.8096048409   1.1790438864   1.3802600156
H    2.2883695786  -0.6506755155   1.6746314301
O   -0.2710563132  -2.1757287856   0.8407091009
H    0.2993956061  -2.8200654813   0.4112420282
O    0.9893836344   1.7308842766   0.1365680935
H    0.0257295025   1.7998287872   0.2769776701
O    0.9506339626   0.2082824364  -2.2242963786
H    0.0939482884  -0.1717072039  -1.9422200743

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF36/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 CONF36 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF36/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 CONF36 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF36/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF36 water

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