%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF19/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 6Agua-solo CONF19 water

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O   -1.3780109757  -0.3830339205   2.2497318958
H   -1.3508632802  -0.7890129913   1.3593693417
H   -1.3894557269  -1.1296131120   2.8563034969
H    1.5593098887  -0.3220413798   0.6055331321
H   -1.4735806289   0.0347518604  -1.4122362963
H    1.3083146533   2.1148024548  -1.5262095380
O   -1.0330892235  -1.3232957065  -0.3182723769
H   -1.2039068032  -2.2373940963  -0.5665313910
O    1.2680009120   0.4026784507   2.2315798503
H    0.3191794432   0.1628035892   2.3005612361
H   -0.0466492448  -1.2131950728  -0.3325210361
H    1.7103840933  -0.1975358415   2.8392668934
O   -1.5563194421   0.8576647275  -1.9346015368
H   -1.8539389744   1.5111761130  -1.2934766829
O    1.5760843079  -0.7542864473  -0.2735594547
H    1.5271992614  -0.0158813817  -0.9146675687
O    1.1631039896   1.3354706930  -2.0710388792
H    0.1892458697   1.2187516198  -2.0728111009

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF19/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 CONF19 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF19/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 CONF19 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/water/CONF19/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 6Agua-solo CONF19 water

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