%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF103/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF103 water

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O    0.2348102249   2.4052946129  -1.5851968474
H    0.9166254358   2.0002895215  -0.9976138290
H    0.0854381097   3.2809317672  -1.2149978117
H   -0.7080772781   1.1998517514   2.4833237587
O   -1.7098612503   0.8560093657  -0.5647617832
H   -2.5725956084   1.2790243261  -0.6130181810
O   -0.6745917953  -2.1198945116   1.9501787043
H   -1.5839715732  -2.2765559984   2.2217809008
H   -1.0741875273   1.4672361582  -1.0108909040
H   -0.5630422218  -1.1503902984   2.0255531447
O   -0.3718295789   0.6132828296   1.7985817045
H   -0.9530574054   0.7538330338   1.0182566453
O   -0.8105030538  -1.8328411376  -0.8282800606
H   -1.2036634488  -0.9438920685  -0.8521382663
H   -0.7840486088  -2.0452971269   0.1265012143
O    1.8433876806  -1.3098224222  -1.1308416092
H    2.2560466163  -1.8995884344  -0.4924299595
H    0.8813123892  -1.5119355253  -1.0621107006
O    1.9165475682   1.1246199077   0.1173565505
H    1.9392793045   0.2505137986  -0.3321686106
H    1.2513544766   1.0099510562   0.8159983790

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF103/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/ CONF103 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF103/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/ CONF103 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF103/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF103 water

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