%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF20/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF20 water

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O   -0.1949070707  -2.1106479054   1.0398616731
H   -0.7638159616  -1.6400440924   0.3953892325
H   -0.7868283311  -2.3494727719   1.7587278620
H    1.1296923438   1.0139738551  -0.8223650060
H   -0.0634716004  -0.5210138366  -1.7935552952
H   -1.7068626683   0.2442992969  -0.4728910124
O   -1.5517982391   1.8548123468   0.0749290243
H   -1.8146449652   2.3917814453  -0.6790074120
O    1.4605123147  -0.1710939986   1.9905585320
H    0.8633857658  -0.8829079664   1.6667397859
H   -0.5641065002   1.8663445010   0.0539096398
H    2.3458461626  -0.5197847107   1.8530919897
O    0.8505694483  -0.3618630670  -2.0916365141
H    1.3583668365  -1.0523129601  -1.6550527709
O    1.1419239646   1.6225088580  -0.0601233630
H    1.2887306863   1.0264425990   0.7066522249
O   -1.6217424725  -0.6836882517  -0.8032383141
H   -2.4967364256  -0.9502112335  -1.1011666243

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF20/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 CONF20 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF20/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 CONF20 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF20/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF20 water

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