%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF51/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq

Optimization 5H2O-BF3/ CONF51 gas

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H   -0.5831475716   1.6311844742  -1.0770213850
O    2.1500236802   1.3252360524   0.1468233332
H    2.9077384075   1.1094440113  -0.4022140085
O    0.4675100951  -1.9804994238   2.1716738928
H   -0.2434832689  -1.4813092151   1.7472544046
H    2.2518809821   0.7819946536   0.9806651580
H    0.7007028561  -2.6430536125   1.5162478590
O    0.0588095243   0.8741090261  -1.1197393886
H    0.9244409622   1.0650918738  -0.5724847520
O   -2.0118720632   2.5092079230  -0.9904598593
H   -2.5535158060   2.0382814397  -1.6317978401
H   -2.3901425801   2.2827183925  -0.1355290772
O    2.4402458783  -0.1734993964   2.2495949516
H    1.7493788723  -0.8785293395   2.2649866897
H    2.4124670449   0.2496262538   3.1094429492
B   -0.6552083613  -0.4554246380  -0.8433474337
F    0.2917768057  -1.4441940291  -0.9397803413
F   -1.1878502926  -0.3874640699   0.4598804356
F   -1.6693086952  -0.5653285986  -1.7608558533

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF51/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx

Wavefunction 5H2O-BF3/ CONF51 gas

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF51/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20)

Electronic spectrum 5H2O-BF3/ CONF51 gas

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF51/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read

Single Point 5H2O-BF3/ CONF51 gas

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