%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF149/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 9Agua-BF3 CONF149 water

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B   -0.7758830518  -1.8291120137  -0.6830652162
F   -2.0304366853  -1.5961040211  -1.2267240348
F   -0.7295120934  -1.2815651552   0.6204849303
F   -0.5049401260  -3.1882169632  -0.6107554253
O    0.2431187066  -1.1905743569  -1.5562505300
H    1.2148929290  -1.3888103963  -1.2959398867
H    0.1462596924  -0.1232924265  -1.7591014534
H    0.7778827154   0.9450757021   2.6816704542
H   -2.4771864609   1.6743729934  -0.5851131077
H    2.3977681837   0.2198387999   1.6136926826
O    0.0650220110   1.1902372871  -2.0471182126
H   -0.8748641433   1.4718488285  -1.8985296992
O    2.6546902348  -1.6402734123  -0.8925108932
H    2.6564469084  -2.4613479889  -0.3882056347
H    0.6044233125   1.6821543890  -1.3811407599
H    2.8517890573  -0.9311376957  -0.2342434710
O   -2.4795462320   1.8629382113  -1.5456653944
H   -2.9788598605   1.1346572907  -1.9294942217
O    1.2124880244   0.0665872681   2.7822781748
H    0.6056985531  -0.5450332710   2.3516219288
O    2.9924395384   0.3805171388   0.8337579381
H    3.8679357080   0.5578445058   1.1935456396
O    1.5329880909   2.4405807325  -0.1598331463
H    2.1587473122   1.7518068888   0.1593736307
H    2.0808615900   3.1659309528  -0.4772274294
O   -2.2171376830   1.2363817066   1.1288834527
H   -1.8128227493   0.3617634340   1.0515658479
H   -3.0221234642   1.0967058233   1.6391579867
O    0.0444575982   2.4880274499   2.2673326721
H   -0.8097987637   2.1484137391   1.9470319208
H    0.5543600353   2.6364088028   1.4514502549

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF149/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 CONF149 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF149/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 CONF149 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF149/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 9Agua-BF3 CONF149 water

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