%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF10/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq

Optimization 5H2O-BF3/ CONF10 gas

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H   -0.9255867057   1.1774431162  -0.6930919932
O    1.9084824601   1.9128350045   0.3990219520
H    2.5061830805   2.3917249262  -0.1794055509
O   -2.5970057337   0.2092100137   1.8267301374
H   -1.9068811274  -0.4371283462   1.6293357560
H    2.4161475065   1.1379585980   0.7397184477
H   -2.2916876154   0.6794310058   2.6050977244
O   -0.0070442923   0.7442889659  -0.8156928064
H    0.7276633305   1.2695929985  -0.3474527120
O   -2.3493123687   1.6397737258  -0.4368968114
H   -2.5783815039   1.1921934352   0.4111144740
H   -2.9119580017   1.2373302000  -1.1043283876
O    3.0459888840  -0.4240769861   1.0859676734
H    2.5483269589  -0.7836689794   1.8248480955
H    2.7160106821  -0.9164712317   0.3231740213
B   -0.0062527780  -0.7646332448  -0.5720272898
F    1.2112089669  -1.2471223065  -1.0238855779
F   -0.1204458827  -0.9980108731   0.8125785921
F   -1.0816448314  -1.2755560231  -1.2410335791

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF10/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx

Wavefunction 5H2O-BF3/ CONF10 gas

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF10/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20)

Electronic spectrum 5H2O-BF3/ CONF10 gas

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF10/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read

Single Point 5H2O-BF3/ CONF10 gas

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