%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF145/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF145 water

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O   -0.6501200721   0.8565595249  -1.4956107731
H   -0.6163770616   1.6419637361  -0.8943848237
H   -1.1721658060   1.1317225887  -2.2551051219
H    2.9678250297  -1.3936855739   0.4293827471
O    0.1851639598  -2.5858683202   1.0174642246
H   -0.0632392380  -3.4074369850   0.5838756432
O   -1.7939330916  -0.8086715888   0.4644163379
H   -1.4627385381  -0.3090685266  -0.3038258188
H    0.9960893340  -2.2876282293   0.5433995331
H   -1.0845546106  -1.4597793566   0.6638194658
O    2.4299120117  -1.8001335295  -0.2570372186
H    2.2438909780  -1.0717761537  -0.8942110611
O    1.9357029969   0.1992694672  -2.0099598170
H    1.9557018757  -0.1968364830  -2.8852494183
H    0.9960193527   0.4473130568  -1.8687729301
O   -1.5165847140   1.2080982093   2.2342317949
H   -2.4076921292   1.5057487295   2.4416402742
H   -1.6451871218   0.4292399614   1.6397807320
O   -0.5640634389   2.8473519309   0.2963274028
H    0.3749745621   2.9565307359   0.4754456232
H   -0.9045457594   2.3178000292   1.0551787464

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF145/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/ CONF145 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF145/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/ CONF145 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF145/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF145 water

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