%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF109/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF109 water

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O   -1.2457624804   2.6419127636  -0.6856214366
H   -1.0638234237   3.4216400904  -0.1530612872
H   -0.3639385522   2.2520309895  -0.8544249739
H    2.6023068995  -2.2274485275   0.5856944347
O    1.1416716909   1.2900110972  -0.9326105344
H    1.9643975503   1.7463377803  -1.1347615435
O   -1.9902149294  -1.4207868303  -0.5584144468
H   -1.9101111232  -0.6903266005   0.0984553476
H    1.2197413386   1.0020590244   0.0039088664
H   -1.9837412868  -2.2235578642  -0.0286326513
O    1.6496239064  -2.2122899577   0.7213566467
H    1.2756891901  -2.0217469995  -0.1717671656
O    0.5345768154  -1.4439582261  -1.6337188171
H   -0.3942900617  -1.4438999830  -1.3122433186
H    0.8060202818  -0.5139248291  -1.5605733275
O    1.0685947858   0.2561931915   1.5903455547
H    1.3238801077  -0.6747443938   1.3752564860
H    1.6648716691   0.5482135360   2.2864964782
O   -1.7040252141   0.6303419339   1.2085891936
H   -1.6471631479   1.3749878341   0.5770525016
H   -0.7799793497   0.4937213310   1.4822887375

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF109/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction 7H2O-solo/ CONF109 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF109/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 7H2O-solo/ CONF109 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF109/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF109 water

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