%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF11/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq

Optimization 5H2O-BF3/ CONF11 gas

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H    1.5253173199  -0.2853358649   0.2536194011
O    0.5765386819   2.6575812274   0.1585948203
H   -0.0515760490   2.9331160113  -0.5529181110
O    0.3232671405  -2.5193122074   2.2181722271
H    0.2071289313  -3.1900550686   1.5394041602
H    0.1052941390   2.7940899953   0.9841876119
H   -0.3813359976  -1.8865151470   2.0340098038
O    0.8619725013   0.1774872586  -0.3642307706
H    0.7968256845   1.1662882752  -0.1290773428
O   -1.2407364768   2.9829916866  -1.7648662775
H   -0.8914355164   3.1660446877  -2.6394197767
H   -1.4857005620   2.0473911547  -1.7781245410
O    2.3765185838  -1.0489335599   1.2865168879
H    2.7925688324  -0.5393360977   1.9846523001
H    1.7294435086  -1.6539646485   1.7202362904
B   -0.4937007163  -0.5248136943  -0.4977424213
F   -0.2467387401  -1.8358318832  -0.8063529251
F   -1.1732022264  -0.4128165855   0.7169031795
F   -1.1868666907   0.1417255147  -1.4999765328

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF11/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx

Wavefunction 5H2O-BF3/ CONF11 gas

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF11/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20)

Electronic spectrum 5H2O-BF3/ CONF11 gas

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF11/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read

Single Point 5H2O-BF3/ CONF11 gas

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