%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF43/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF43 water

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O   -0.7808729769  -1.6788084889   1.1353704201
H   -0.2009411336  -0.9365553288   1.4144427698
H   -0.2079407108  -2.4509645913   1.1836583953
H   -1.3192276197   0.4778637340  -1.5152475861
H   -1.1517681980  -1.7277976655  -2.0151166591
H    0.6009736694   1.1854133798   1.1863219099
O   -0.0234180813   2.5206544167   0.3724151400
H   -0.6428775865   2.1322194328  -0.2892593458
O    2.3429863646  -1.2362411699  -0.3477673707
H    1.5772777447  -1.3546638172  -0.9195393629
H    0.7128602218   2.8537110269  -0.1521143384
H    2.0022245596  -0.6790780883   0.3673886559
O   -0.6129951170  -1.1049060892  -1.5174703284
H   -0.7299736927  -1.3588848485  -0.5731449593
O   -1.6915792585   1.3848498866  -1.4344357763
H   -2.5212476281   1.2622348532  -0.9617929644
O    0.9551291671   0.3667992575   1.6146725583
H    1.1629117432   0.6078677388   2.5224211660

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF43/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 CONF43 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF43/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 CONF43 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF43/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF43 water

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