%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF46/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq

Optimization 5H2O-BF3/ CONF46 gas

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H   -0.5599774140   1.4721516974  -1.3153767785
O    1.5685799977   1.6646124543   0.8111163623
H    2.1490694078   0.9070604089   1.1139334367
O    1.2551232219  -2.4572186291   1.3233316038
H    0.7493602486  -2.3057920871   0.5127150103
H    1.1355435501   1.9933856576   1.6031958384
H    0.5957165585  -2.3740621383   2.0174565842
O   -0.1088373796   0.7654646439  -0.7804521836
H    0.5882007520   1.1622425299  -0.1124985400
O   -1.5239426539   2.4586952607  -2.2149566721
H   -2.3832591904   2.0926570776  -1.9809105628
H   -1.4139096620   2.2766201005  -3.1515497374
O    2.9256052800  -0.3883125526   1.6348400736
H    3.7543497883  -0.5961074604   1.2004120850
H    2.3504260136  -1.1844459756   1.5344575486
B   -1.0474595943  -0.3349437719  -0.2579750912
F   -0.5374353462  -1.5493908435  -0.7094293063
F   -1.0396120544  -0.2856419254   1.1215814575
F   -2.2972266640  -0.0878636397  -0.7879245185

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF46/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx

Wavefunction 5H2O-BF3/ CONF46 gas

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opt-b3lyp.wfx

--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF46/opt-b3lyp.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20)

Electronic spectrum 5H2O-BF3/ CONF46 gas

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--Link1--
%oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/5H2O/5H2O-BF3/gas/CONF46/opt-b3lyp.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read

Single Point 5H2O-BF3/ CONF46 gas

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