%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF44/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF44 water

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O    1.2362389164  -1.8266110453  -0.1132753982
H    0.5479489197  -2.4964554175  -0.0549747337
H    1.1451988105  -1.2970157382   0.7144894017
H   -1.5297712912   0.6040835138   0.9330000383
H   -2.3244653097  -1.5182193049   1.0229950996
H    1.3736587078  -0.0907500829  -2.6726575310
O    0.2458770374   2.2580050770  -0.9662510143
H    0.3811947067   1.3882465801  -1.4101236497
O    1.0045720324  -0.3114862654   2.1152882531
H    0.2865674870   0.3173595426   1.8609805445
H   -0.4640776503   2.6737564722  -1.4646760049
H    1.8077041840   0.2181414798   2.0996855598
O   -2.2548285632  -0.9756070600   0.2309833150
H   -1.4377119464  -1.2749541884  -0.1804944966
O   -0.9781628523   1.3219309150   1.2935074207
H   -0.5454687335   1.7108923744   0.5014482037
O    0.5802083373  -0.1561242470  -2.1327720902
H    0.8220194732  -0.7748426750  -1.4047389519

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF44/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 CONF44 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF44/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 CONF44 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF44/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF44 water

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