%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF32/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF32 water

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O   -1.2202795209  -1.3338455392   1.5936043655
H   -1.5163306816  -0.9765440256   2.4365934192
H   -1.5143335639  -0.6777040716   0.9310193823
H   -2.5788407933   0.8979613294  -0.5933345510
H   -0.7583838913  -1.4205211049  -2.3886542860
H    1.0612378791   0.6914997789   1.3076309706
O    0.1538915834   2.2513890362   0.9060520806
H   -0.2311090271   2.4909380764   1.7546601217
O    1.9909018953  -0.7116066834  -1.1667284228
H    1.7810501704  -0.5649255209  -0.2136619468
H   -0.5582410790   1.7673786036   0.4427351031
H    2.4363675244   0.0976911198  -1.4360695928
O   -0.4166042916  -0.5205323901  -2.3634030530
H    0.4780395151  -0.6095803124  -1.9536891597
O   -1.7044753917   0.6089761929  -0.3148886939
H   -1.2764684640   0.2128611160  -1.1159618281
O    1.3621176707  -0.2307405234   1.4240475365
H    0.5258582686  -0.7224231990   1.5420475622

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF32/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 CONF32 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF32/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 CONF32 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF32/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF32 water

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