%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF62/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq

Optimization 5H2O-BF3/ CONF62 gas

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H   -0.2388372180   1.4439570664  -1.3620283839
O    1.9648617121   1.3648448045   0.6959306488
H    2.7899996739   0.8979822923   0.5444708517
O   -0.2148166267  -1.6446896827   2.4636335067
H   -1.1277359065  -1.3950301289   2.2963386994
H    1.6695502339   1.1276760032   1.6194351810
H    0.1167008087  -1.8640917467   1.5833495093
O    0.3554436784   0.6976148775  -1.0830085124
H    1.0023152232   0.9811244991  -0.3218043806
O   -1.5818660278   2.3157533667  -1.8421588736
H   -1.8603157126   1.8757036502  -2.6510441700
H   -2.2385619969   2.0644133123  -1.1852008360
O    1.1110984486   0.6099723474   3.0420031320
H    1.7160745869   0.4527347850   3.7681314628
H    0.6085912584  -0.2274142354   2.9058559822
B   -0.4469081793  -0.6020685102  -0.9124828179
F   -0.9053250802  -0.9567299694  -2.1515597708
F    0.4351198231  -1.5300176007  -0.3712146876
F   -1.5075083434  -0.3511313270  -0.0445967791

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF62/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx

Wavefunction 5H2O-BF3/ CONF62 gas

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF62/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20)

Electronic spectrum 5H2O-BF3/ CONF62 gas

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF62/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read

Single Point 5H2O-BF3/ CONF62 gas

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