%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF39/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF39 water

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O   -0.8717759046  -1.9504819914   0.7612103308
H   -0.4796837763  -1.1841894777   1.2338787854
H   -0.2044213110  -2.6393640560   0.8458445131
H    0.1410048648   1.9861437355  -2.1716836446
H   -0.5288592513  -1.3864266685  -0.8629511478
H   -0.0390854837   1.0365800857   1.4592624948
O   -0.7903662665   2.3518963866   0.7410068168
H   -1.7157670442   2.2819473730   0.9955341822
O    2.4176591399  -0.9138018057   0.1544424962
H    1.8065170809  -0.4872640823   0.7755635108
H   -0.7760611025   2.1109010578  -0.2164292291
H    1.8735014302  -1.0769010492  -0.6204488949
O   -0.2430230338  -1.0373361581  -1.7368885913
H   -0.7552545319  -1.5277474257  -2.3868384055
O   -0.6932623029   1.6264509158  -1.8550770732
H   -0.5476503685   0.6530699910  -1.8257827969
O    0.3918345502   0.2204413498   1.8190708809
H    0.4298259955   0.3333312288   2.7735430161

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF39/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 CONF39 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF39/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 CONF39 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF39/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF39 water

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