%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF49/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF49 water

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O   -0.0132498571  -1.7614199598   1.8264610435
H    0.3829191415  -1.9515315687   0.9438907590
H   -0.3586506900  -2.6080533781   2.1254807996
H    1.5645865081   0.9019214213  -1.0713249943
H    1.4515815425  -1.2788367275  -0.7497989406
H   -0.2824358524   2.0664729808  -0.9127203753
O   -1.4756996506   2.1231040545   0.3153814853
H   -1.7198503445   1.1903630135   0.5211555471
O   -2.1583120046  -0.4400339888   0.8275111487
H   -1.3965184918  -0.9048693542   1.2443917691
H   -2.2559596768   2.4894318327  -0.1114840913
H   -2.2092956347  -0.8202357097  -0.0542929274
O    0.9805005829  -2.1407305404  -0.6560717350
H    1.6819229299  -2.7968515572  -0.6067276779
O    2.2272851444   0.2446021256  -0.7511292748
H    2.3051788953   0.4225704807   0.1912035276
O    0.4098016762   2.0372389724  -1.6148256129
H    0.8618951822   2.8833466394  -1.5430233290

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF49/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 CONF49 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF49/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 CONF49 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF49/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF49 water

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