%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF240/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 9Agua-BF3 CONF240 water

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B   -0.0254345914  -1.9895905867  -0.0293982461
F    0.7444780425  -3.1423547987  -0.0278658915
F   -1.3797997660  -2.2916124614   0.0194230969
F    0.3096993527  -1.2032686757   1.0992161194
O    0.2438192058  -1.2405898958  -1.2826943735
H   -0.2767927564  -0.3189338871  -1.4347290243
H    1.2284934882  -1.1789027031  -1.6001686938
H   -1.2497169814  -0.1013938361   1.9110256203
H    4.6873249860   0.5122054248  -0.6039545302
H   -0.5327278798   2.9380466131   0.6066933960
O    2.6122905005  -1.1658037160  -2.0966142214
H    3.1102243735  -0.3983932788  -1.7026173249
O   -0.9914757637   0.8491541364  -1.6549085217
H   -1.8791952628   0.7072823586  -1.2419948178
H    2.5847947597  -0.9958986867  -3.0446062638
H   -0.5711760015   1.5660950026  -1.1233956587
O    3.8810200623   0.8683786472  -0.9900027944
H    3.2934488476   1.0584173189  -0.2186904448
O   -2.0672464623   0.3799389034   2.0910802208
H   -2.4734639497  -0.0721838241   2.8381035532
O    0.1499102569   2.7306527619  -0.0809077112
H    0.3599529368   3.5665377327  -0.5104300476
O   -1.7310743899   3.1045112332   1.7807484340
H   -1.8689387341   2.1650827613   2.0116521565
H   -2.5136702348   3.3385844490   1.2708210058
O   -3.3415932802   0.3994637882  -0.3848849826
H   -2.9783453915   0.3619861471   0.5212930214
H   -3.5401993131  -0.5178793070  -0.5988674017
O    2.1972976690   1.3176201189   1.0554892145
H    1.4968346191   1.8801207312   0.6629091281
H    1.7730444409   0.4594888143   1.1622440642

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF240/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 CONF240 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF240/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 CONF240 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF240/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 9Agua-BF3 CONF240 water

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