%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF52/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF52 water

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O   -1.5821941976  -2.2109358918  -0.3016287875
H   -1.6998463466  -1.5150205726  -0.9868031857
H   -1.5135409131  -3.0314106989  -0.7998316988
H    1.5195706457   3.0313180941   0.7980111908
H    1.1522337273  -0.9235133824  -0.6483343152
H   -1.4180057383   0.5165490369  -1.4219447480
O   -1.0351332620   1.5403436758  -0.0853533339
H   -1.1442043567   0.9243120367   0.6469179836
O    1.6636396576   0.1581645751   2.0930670886
H    2.5745755568  -0.0535976208   2.3195916593
H   -0.0898128031   1.8068383955  -0.0299789708
H    1.4103407813  -0.5165333396   1.4221424207
O    1.0422431558  -1.5409185691   0.0824716706
H    0.0972130633  -1.8078815020   0.0248970278
O    1.5910850825   2.2100555809   0.3014937688
H    1.7013273155   1.5150073145   0.9886962142
O   -1.6817491925  -0.1572661313  -2.0896922274
H   -2.5980957020   0.0510207845  -2.2965271567

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF52/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction 6Agua-solo CONF52 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF52/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 6Agua-solo CONF52 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF52/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF52 water

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