%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF120/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF120 water

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O   -0.2573217102   0.6108117043  -1.0537474222
H    0.0968013968  -0.2985511418  -1.1462377572
H    0.5140296765   1.2185456546  -1.1123021077
H    1.5867276687   3.1510333441  -1.0177876041
O   -1.8199031327  -2.4346695400   0.4755418255
H   -2.2785296550  -1.6336361748   0.1440457780
O   -2.9159353637  -0.1277154489  -0.5882332622
H   -2.0561487650   0.2828825002  -0.7898823708
H   -2.2888767091  -3.1698638268   0.0698771559
H   -3.2322102163  -0.4476905431  -1.4387089335
O    1.9279522856   2.2516137172  -1.0025655984
H    2.1479815622   2.0882568641  -0.0579911074
O    0.4913222028  -2.0440821243  -0.9616194600
H    1.1961189357  -2.0017374407  -0.3078349970
H   -0.3118698082  -2.2583143019  -0.4379009685
O   -0.0268058428   0.3649825814   1.7241639467
H    0.2062940714  -0.5650977053   1.8077767486
H   -0.1960279561   0.4796311613   0.7663850117
O    2.3712431066   1.6802811724   1.6357474060
H    1.5196879786   1.2038210731   1.7541121706
H    3.0336546373   0.9825276805   1.6215392131

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF120/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/ CONF120 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF120/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/ CONF120 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF120/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF120 water

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