%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF131/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 9Agua-BF3 CONF131 water

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B   -0.0249809681  -1.8020259445  -0.0939311147
F   -1.3914515367  -1.8172216324  -0.3592692228
F    0.2219089233  -1.0613896709   1.0754982274
F    0.4631659321  -3.0901946387   0.0615411567
O    0.6677523348  -1.1758377175  -1.2585971061
H    1.7042418265  -1.1743305180  -1.2024775796
H    0.3456702081  -0.2084359934  -1.5253327096
H    1.1936030302   1.9502155712   1.3756852492
H   -3.4610415894   0.7655218312  -2.4225069075
H    2.9851500938   1.4638888710   0.4283697579
O   -0.0986436209   1.0953660236  -1.9144019369
H   -1.0701911525   1.0035854996  -2.0007352907
O    3.1726887324  -1.1117649439  -1.1282192898
H    3.4414472185  -1.6569381111  -0.3800260550
H    0.0103741615   1.6823520334  -1.1286125426
H    3.3501065057  -0.1734918587  -0.8476272672
O   -2.8310679243   0.7116485569  -1.6963938377
H   -2.8151367961  -0.2183599860  -1.4461931479
O    1.9527944568   1.5119003299   1.8148553663
H    1.6775955658   0.5922722196   1.8861533271
O    3.4968109749   1.4206023486  -0.4132350076
H    2.9394083913   1.8795506526  -1.0504461662
O   -0.0629197489   2.5977732391   0.3408939690
H   -0.0073238235   3.5450578055   0.1777802961
H   -1.0079819448   2.4195106190   0.5987819080
O   -2.5895905874   2.0133716152   0.8759101019
H   -2.8247937834   1.6317075437   0.0150053870
H   -2.5489756509   1.2437837140   1.4806669873
O   -2.3924063424  -0.2241600511   2.5048346705
H   -1.4999942346  -0.4979421717   2.2676898517
H   -2.9548056692  -0.8510246178   2.0391624819

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF131/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 CONF131 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF131/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 CONF131 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF131/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 9Agua-BF3 CONF131 water

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