%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF18/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq

Optimization 5H2O-BF3/ CONF18 gas

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H   -0.7074760218   1.1798427971  -0.7932104523
O    1.7140600242   1.8265993151   1.0284739831
H    2.5222097580   1.2661429069   0.9487577265
O   -3.3120967080  -0.3025316631   0.3795800084
H   -2.5643784600  -0.6002544557   0.9103882414
H    1.3675751021   1.6546326485   1.9076044518
H   -3.3512576044  -0.9477907244  -0.3325007299
O    0.1799521930   0.6955611217  -0.6714874094
H    0.7708412997   1.2066328727  -0.0195662167
O   -2.1204420064   1.7815174710  -0.8438865515
H   -2.2764760733   2.6114383386  -0.3898376440
H   -2.6874736103   1.1025133814  -0.4096472978
O    3.6061355283  -0.0295239576   0.6265538686
H    3.0327226330  -0.5965625827   0.0933567550
H    3.8909480751  -0.5752745233   1.3618646696
B    0.0558555124  -0.7983819646  -0.3517686627
F   -0.8583525412  -1.3252132988  -1.2277293255
F    1.3214389584  -1.3485590052  -0.5035782815
F   -0.3728758616  -0.9312863325   0.9725836940

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF18/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx

Wavefunction 5H2O-BF3/ CONF18 gas

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF18/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20)

Electronic spectrum 5H2O-BF3/ CONF18 gas

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF18/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read

Single Point 5H2O-BF3/ CONF18 gas

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