%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF135/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF135 water

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O   -1.5202613541  -0.2455053250  -2.7099335564
H   -1.6349648332  -0.2568463759  -1.7362642748
H   -2.0894889270  -0.9534810093  -3.0268130738
H    3.0634478376  -0.0197738042   1.4259685191
O   -1.4259781574   1.9237003227   1.3394823001
H   -1.0572192274   2.5374232601   0.6960943189
O   -1.6560434384  -0.3784296658   0.0258409786
H   -1.6064196681   0.4844031676   0.5131495949
H   -0.6727743061   1.7138944694   1.9435585571
H   -2.4145453062  -0.8459810416   0.3890520559
O    2.3197485725   0.3974566981   0.9811483809
H    1.8029432873  -0.3537255269   0.5951926864
O    1.0027438136  -1.3022329819  -2.7738278803
H    1.5952438622  -0.5496243891  -2.8624465953
H    0.1020528743  -0.9112177665  -2.8218591841
O    0.8447890164  -1.5983161988  -0.0220331716
H    0.9785176085  -1.5580727864  -0.9919298651
H   -0.0537316374  -1.2338269887   0.0969726152
O    0.6481951422   1.2315331538   2.9110810274
H    1.2923023932   0.9367991316   2.2217599785
H    0.3384556736   0.4142889644   3.3141476431

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF135/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/ CONF135 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF135/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/ CONF135 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF135/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF135 water

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