%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF113/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF113 water

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O   -0.9619723420   2.3296502661  -1.1318919051
H   -1.4367619086   2.8347665187  -0.4655762738
H   -0.0377753257   2.2827601003  -0.7959565938
H    1.7246987061   1.1974202008  -0.0867359562
O   -1.9519845374  -0.8496014958   1.6734465082
H   -1.9277940740  -0.6214029084   0.7083577280
O   -1.8692508807  -0.2550569029  -0.9215402360
H   -1.5629397555   0.6746368349  -0.9940082577
H   -2.3146834458  -1.7401777527   1.7041803229
H   -1.1292198810  -0.7856159349  -1.2803432944
O    1.5863704925   2.1612486129  -0.2140648132
H    2.1338477320   2.3858862276  -0.9725214742
O    0.3419256132  -1.6451737636  -1.8747557529
H    0.9431366797  -1.2976213821  -1.1829020774
H    0.5539592536  -1.1252289127  -2.6557718196
O    0.6177305425  -1.1178501902   2.3677567934
H    0.7994341516  -0.3834149852   2.9622791062
H   -0.3386632484  -1.0201693875   2.1313988116
O    1.8578356980  -0.5283204663   0.1073791837
H    1.4226053799  -0.7597845511   0.9717537217
H    2.7703360979  -0.8254405099   0.1848701829

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF113/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/ CONF113 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF113/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/ CONF113 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF113/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF113 water

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