%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF22/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq

Optimization 5H2O-BF3/ CONF22 gas

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H    1.7854087797   0.2294967368  -0.3990674573
O   -0.4802524444   2.2241460053  -0.2772115606
H   -0.8164281999   2.1236834326   0.6414710087
O   -2.5106391652   1.1944090062  -1.7666690017
H   -2.2601862544   0.2916199873  -1.5340074758
H   -1.2584603374   2.0671184418  -0.8556990900
H   -2.4123766925   1.2501172876  -2.7193505786
O    0.8302579301   0.1911551573  -0.6673271395
H    0.3129842930   1.1144008303  -0.4967324957
O   -1.3644997732   1.3831121408   2.1582187898
H   -0.9143965628   0.5299264737   2.1118219837
H   -2.3011260690   1.1756489513   2.1320746618
O    3.2907951727  -0.2096339356   0.2226664127
H    3.3461636228  -1.1116683940  -0.1107304347
H    3.1746532168  -0.3066726509   1.1723226801
B    0.1769342435  -1.0735985735  -0.1252275746
F    0.9732359687  -2.1291776139  -0.4914940916
F    0.1016453077  -0.9761800605   1.2724905418
F   -1.0976615487  -1.1433347654  -0.6711681382

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF22/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx

Wavefunction 5H2O-BF3/ CONF22 gas

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF22/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20)

Electronic spectrum 5H2O-BF3/ CONF22 gas

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF22/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read

Single Point 5H2O-BF3/ CONF22 gas

0 1