%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF13/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq

Optimization 5H2O-BF3/ CONF13 gas

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H    1.6643935568  -0.0763713926   0.2567270271
O    0.0211189696   2.4219689753   0.3025865573
H   -0.1009898506   2.3166582998   1.2514006552
O   -0.1220878227   0.1152542908   2.6893202597
H   -0.5634175031  -0.1771720463   3.4883202715
H   -0.8782840252   2.3932145769  -0.0949972746
H   -0.6265208845  -0.2466356493   1.9469257976
O    1.0480810218   0.2313982390  -0.4843404259
H    0.6910078306   1.1565783714  -0.2273117980
O   -2.3505907863   1.8822044936  -0.9025437669
H   -2.4249911312   0.9711259415  -0.5994210449
H   -2.1371545927   1.7948102394  -1.8358504032
O    2.3288368621  -0.5716123142   1.6003898707
H    1.5950255354  -0.4000791542   2.2205341064
H    2.4100373846  -1.5268773400   1.5337249567
B   -0.0372874991  -0.8012169135  -0.8147506872
F    0.5409454507  -2.0355595142  -0.7176095461
F   -1.0727774160  -0.6687528877   0.1595104510
F   -0.5375687591  -0.4981087333  -2.0513972216

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF13/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx

Wavefunction 5H2O-BF3/ CONF13 gas

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF13/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20)

Electronic spectrum 5H2O-BF3/ CONF13 gas

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF13/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read

Single Point 5H2O-BF3/ CONF13 gas

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