%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF25/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF25 water

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O   -1.0064503235  -1.4028044689   1.7415011919
H   -0.9887673472  -1.0587462486   2.6400668458
H   -1.3431671918  -0.6535563659   1.1931843399
H    0.7397017065   2.1127566510   1.4110771657
H   -1.0057102236   0.7348581979  -2.7884288873
H    0.5998610643  -1.6012737492   1.2109860152
O   -1.8355134333   0.6643671706   0.2093013220
H   -1.6307825211   0.3429582130  -0.6900355562
O    1.5365296548   0.2406547480  -0.9923060273
H    2.4083933513   0.2862174615  -1.3967820831
H   -1.1137030194   1.3003339885   0.3890789094
H    1.5794751249  -0.4887291577  -0.3229474678
O   -0.8635296153  -0.0987279202  -2.3313805581
H    0.0397860623  -0.0212283705  -1.9659856280
O    0.4337890985   2.2711668673   0.5130946408
H    0.9310960702   1.6263416162  -0.0301773871
O    1.5153541464  -1.6907267167   0.8502004685
H    1.5016401526  -2.5182953451   0.3598054328

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF25/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 CONF25 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF25/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 CONF25 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF25/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF25 water

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