%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF22/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF22 water

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O   -0.4561251449   0.6960432218   1.6962853600
H   -1.1702778422   0.1561949682   1.2766336609
H   -0.7980411019   0.9911919988   2.5455187961
H   -0.0923425187   1.8079657344   0.2802429558
H    0.0771134513  -0.8359543324  -1.5932721318
H    2.4826698295   0.2116219889   0.9361406184
O   -2.2535800356  -0.7097525597   0.2818710287
H   -1.7447681389  -0.5736674455  -0.5536589068
O    1.3476300025  -1.9012066462  -0.9716565850
H    2.1006172840  -1.7677969782  -1.5550083764
H   -3.0204270122  -0.1348948186   0.1943874544
H    1.5909154849  -1.4270267926  -0.1454923270
O   -0.6460649037  -0.2231975338  -1.8486427083
H   -0.3524200311   0.6455272856  -1.5147130087
O    0.0839388014   2.2107643149  -0.5904595748
H   -0.6878537518   2.7595985633  -0.7588476976
O    1.9678409319  -0.5137980334   1.3031242311
H    1.1065100294  -0.1043314449   1.5286278867

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF22/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 CONF22 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF22/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 CONF22 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF22/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF22 water

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