%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF21/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq

Optimization 5H2O-BF3/ CONF21 gas

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H    1.7766858338   0.0454837686   0.4329026967
O   -0.4447947730   2.0673559405   0.8787943683
H   -1.1344579685   1.5760145409   1.3808478797
O   -2.2331347733   0.2974021630   1.9037696213
H   -1.7648569135  -0.4788109612   1.5690639269
H   -0.8942544537   2.3930140745   0.0679684975
H   -3.0647197884   0.3143831656   1.4260918312
O    0.9654292793   0.3110216881  -0.0750358069
H    0.3996824005   1.0970400780   0.3911904743
O   -1.5669579519   2.3837945846  -1.5827010898
H   -1.0410703192   2.8800173931  -2.2128198493
H   -1.4153564029   1.4549129175  -1.7972738149
O    3.0635948944  -0.8086579550   1.0687202483
H    2.7366421423  -1.3735024819   1.7743866634
H    3.2378899273  -1.4044391688   0.3328937928
B    0.1931252371  -0.8954982678  -0.5874523699
F   -0.7246566198  -0.4176366146  -1.5164131550
F    1.1083061338  -1.7639403558  -1.1317927613
F   -0.4783827724  -1.5006914703   0.4847311500

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF21/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx

Wavefunction 5H2O-BF3/ CONF21 gas

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF21/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20)

Electronic spectrum 5H2O-BF3/ CONF21 gas

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF21/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read

Single Point 5H2O-BF3/ CONF21 gas

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