%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF244/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 9Agua-BF3 CONF244 water

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B    1.5662631701  -1.7660101978  -0.2171633019
F    1.6941711046  -3.0308528085  -0.7806968399
F    1.0089236110  -1.8689759599   1.0533839151
F    2.8079801665  -1.1410547427  -0.1601486042
O    0.6506300809  -0.9478124133  -1.0884062239
H   -0.2856727599  -0.7442607265  -0.6910459466
H    1.0290764675  -0.0969209486  -1.5425783779
H   -1.0843763287   3.2171930984  -0.0186814273
H    1.1611242979   3.8544758855  -0.5908095687
H   -1.8803138950  -3.4915110651  -0.4193237853
O    1.4859823779   1.1288648259  -2.2229593981
H    1.2044378955   1.8801919960  -1.6429538917
O   -1.0515263393   0.9679342261   2.1739901323
H   -1.2642043358   0.3630881204   1.4306940026
H    2.4493056342   1.1313386124  -2.1875992747
H   -1.2774455602   0.4859693458   2.9754574457
O    0.6856786263   3.0211140870  -0.5067633196
H    1.0373823818   2.5939422451   0.3169689570
O   -1.9946159934   3.1764485014   0.3327838062
H   -1.9030415068   2.6192044237   1.1174718582
O   -2.3127322976  -3.0736268785   0.3335157070
H   -1.7385745481  -3.2870718113   1.0773570932
O   -1.5799656023  -0.5115934869  -0.0496009283
H   -2.2119862582   0.0662966862  -0.5558650868
H   -1.9831852731  -1.4030879774   0.0770274993
O   -3.1412952746   1.2634670275  -1.2379736243
H   -2.7795037182   2.0171648568  -0.7161246614
H   -4.0270987315   1.1279263381  -0.8860943008
O    1.5025319642   1.7205155885   1.6788816503
H    0.6201093268   1.3723097641   1.9385819637
H    1.9794400665   0.9583070842   1.3363683902

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF244/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction 9Agua-BF3 CONF244 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF244/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 9Agua-BF3 CONF244 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF244/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 9Agua-BF3 CONF244 water

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