%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF34/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq

Optimization 5H2O-BF3/ CONF34 gas

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H    1.6762344112  -0.2268858243   0.6072511610
O   -0.5177266707   1.7165345418   1.4141443734
H   -1.3459930082   1.3062475065   1.7490535416
O   -2.6485398435   0.1233414604   1.9691981933
H   -2.5085243560  -0.4087926907   1.1774922230
H   -0.7713651433   2.2102238413   0.6013651993
H   -2.4923143764  -0.4735942033   2.7037597924
O    0.6858027964  -0.2560047129   0.6170878329
H    0.2214582486   0.6387995252   0.9895606837
O   -1.1060474812   2.6539988823  -1.0596238350
H   -0.5420768681   3.3397703253  -1.4216247698
H   -0.8529850035   1.8423798709  -1.5173713389
O    3.2900399575  -0.5392094323   0.2180079903
H    3.4699649506  -0.0940140764  -0.6146213299
H    3.2000399611  -1.4683943562  -0.0179907155
B    0.1167744634  -0.8301910550  -0.6762450792
F   -1.2204065579  -1.0984326860  -0.4373568053
F    0.2490219093   0.1317594754  -1.6878028240
F    0.8475430785  -1.9550468844  -0.9805711888

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF34/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx

Wavefunction 5H2O-BF3/ CONF34 gas

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF34/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20)

Electronic spectrum 5H2O-BF3/ CONF34 gas

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF34/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read

Single Point 5H2O-BF3/ CONF34 gas

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