%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF61/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF61 water

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O   -1.1770522916  -1.1249864422  -0.6217532342
H   -0.8805080713  -1.3121256653   0.3053130430
H   -1.3004579386  -1.9801151575  -1.0444188567
H    1.2811953725   1.3602529825  -0.5443902461
H    0.5946215495  -1.2148138811   1.8185484457
H   -0.3648447718   1.4426798369  -1.9607836455
O   -3.0952855188   0.9090663716  -0.9817694638
H   -3.1904197625   0.9276585082  -1.9377789997
O    2.1779907339  -0.6095827928   1.6390299690
H    2.0589016918   0.2282470276   1.1320449190
H   -2.4854349177   0.1692046400  -0.8222581655
H    2.5949016950  -1.2107370774   1.0137460350
O   -0.3326210025  -1.5517556826   1.8655890629
H   -0.8028080038  -0.8959525229   2.3907133129
O    1.8149231122   1.6618781778   0.2265276933
H    2.6806565589   1.8649463133  -0.1410026284
O    0.3197825451   0.7730306095  -1.8562803137
H   -0.1561905138   0.0180029785  -1.4447211624

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF61/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 CONF61 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF61/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 CONF61 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF61/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF61 water

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