%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF36/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq

Optimization 5H2O-BF3/ CONF36 gas

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H    1.9365255999  -0.0217055841  -0.3046052406
O    0.1246933806   2.0985029236   0.9600557655
H   -0.6132679769   2.4505715372   0.4138933689
O   -1.7783331001   0.4862527337   2.2362475297
H   -1.4600661744  -0.3029477675   1.7781623473
H   -0.3541057922   1.6494077957   1.6801526289
H   -1.9520761430   0.2167820822   3.1392490781
O    1.0012428108   0.2723477383  -0.4679175734
H    0.6962463735   1.0655906277   0.1532940186
O   -2.2182586379   2.3754239713  -0.4117510433
H   -2.7382945687   1.9788670060   0.2938354439
H   -2.0745443985   1.6542315424  -1.0330345009
O    3.3268134285  -0.9425284223  -0.2145403997
H    3.2121489634  -1.4722507975  -1.0106852783
H    3.2050219622  -1.5639524290   0.5091336675
B    0.0388014297  -0.9129842414  -0.5647620232
F   -0.2181083080  -1.3748192097   0.7376180083
F   -1.1201984707  -0.4447724392  -1.1462281696
F    0.6693616834  -1.8836214928  -1.3032395886

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF36/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx

Wavefunction 5H2O-BF3/ CONF36 gas

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF36/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20)

Electronic spectrum 5H2O-BF3/ CONF36 gas

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF36/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read

Single Point 5H2O-BF3/ CONF36 gas

0 1