%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF21/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF21 water

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O   -0.7113417747  -1.6670635587   0.8277574032
H   -0.8621021617  -1.5488119289  -0.1346416402
H   -0.9596373064  -0.8060926242   1.2141887430
H    1.5705333785   0.5399557675   0.4847318606
H   -0.7919600040  -0.2591509383  -1.9000766090
H    2.2525821322  -1.1259972967   1.6784153328
O   -1.1830296696   0.9708685492   1.7696385584
H   -0.3391131917   1.2521449184   1.3687837927
O   -0.4483285959   1.4459157780  -1.8504167816
H    0.0812539009   1.6293752810  -2.6321978254
H   -1.8474634529   1.2611461705   1.1367832400
H    0.1829303463   1.4969039871  -1.1032782890
O   -0.9598400248  -1.2284614148  -1.8812824910
H   -0.1355836696  -1.6173958614  -2.1890906729
O    1.1788296226   1.4376229033   0.3530522124
H    1.8798081670   2.0724979033   0.5301845248
O    1.9431848879  -1.1056707634   0.7673053341
H    1.0051686636  -1.4095231885   0.8177786733

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF21/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 CONF21 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF21/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 CONF21 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF21/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF21 water

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