%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF146/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq

Optimization 7H2O-solo/ CONF146 water

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O   -1.0086284474   1.5898103303  -0.9667680459
H   -0.4033358462   1.5620224206  -0.1831981976
H   -1.2699016043   2.5098790074  -1.0683172403
H    2.9297373832  -0.5107546622  -0.0261016983
O   -0.4824242086  -1.9245608811  -0.1477462519
H   -0.0286420886  -1.3597583892   0.4865987240
O   -2.7644120656  -0.4472015377  -0.6247916400
H   -3.0034806623  -0.7148078376  -1.5176329362
H   -1.3477732010  -1.4792489976  -0.2753159023
H   -2.2193300199   0.3603737302  -0.7521254638
O    2.7172298705   0.2858828614  -0.5223741188
H    2.0677593280  -0.0151158729  -1.1951695548
O    0.7063197028  -0.4893216043  -2.2329027378
H    0.1738872300   0.3088234430  -2.1039707687
H    0.3126711323  -1.1153903074  -1.5921375268
O    0.3716452148  -0.3713128153   3.1559799474
H   -0.4229993259  -0.0842380565   3.6176149931
H    0.1418944602  -1.2386370305   2.8082899692
O    0.7548645347   1.4482775759   1.0402444595
H    1.5034173094   1.0637480157   0.5376116318
H    0.5616077902   0.7942501940   1.7379753912

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF146/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx

Wavefunction 7H2O-solo/ CONF146 water

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF146/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 7H2O-solo/ CONF146 water

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF146/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read

Single Point 7H2O-solo/ CONF146 water

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