%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF45/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF45 water

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O   -1.8446791896  -1.4502728284   1.6717566125
H   -0.9089597130  -1.6659640997   1.6755501781
H   -1.9166379052  -0.7596583385   0.9923762723
H   -0.2409582075   3.0900257125  -0.6497739370
H    2.4193093700   1.5822409244   1.2952452935
H   -0.8544261523  -0.8395748139  -1.1364262225
O   -1.7902955889   0.4423628297  -0.4291145862
H   -1.2480787749   1.2491090433  -0.2319158353
O    1.9367278909  -1.1996102571   0.0600789937
H    1.1284463940  -1.3574894678  -0.4805381007
H   -2.5481882563   0.7436254202  -0.9395784182
H    2.6664538516  -1.4468025035  -0.5160322652
O    2.1734140478   1.4672046607   0.3724019859
H    2.0842351545   0.4913158157   0.2579317071
O   -0.2737304847   2.5462610213   0.1431987167
H    0.6337274302   2.1633148515   0.2242105659
O   -0.3107601507  -1.6142970517  -1.4008043413
H   -0.7163984687  -2.3500219491  -0.9304767845

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF45/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 CONF45 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF45/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 CONF45 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF45/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF45 water

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