%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/8H2O/8h2O-BF3/gas/CONF23/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq Optimization 8h2O-BF3/ CONF23 gas 0 1 B 0.5911177117 -1.2763888686 -0.0853326779 F 1.9291529399 -1.4219440155 -0.4657199942 F 0.0074644626 -0.2720801553 -0.8637363990 F -0.1263101367 -2.4492327693 -0.2166972110 O 0.5737926729 -0.8842890390 1.3647939194 H 0.9457001304 0.0564046154 1.5425954301 H -0.3615887465 -0.9659617688 1.8215584984 H 0.3596282537 1.5708050115 -2.4198936531 H -2.5225632168 -1.0208907495 -2.2333509261 O -1.6995384108 -0.9496139941 2.3670585320 H -2.1245725293 -1.8096309200 2.3202707745 O 1.3982907046 1.4995547691 1.6346873647 H 0.6519956698 2.0048696408 1.2500165012 H -2.2176613487 -0.3316202131 1.7681198937 H 2.1200162200 1.5878880431 0.9958637889 O 0.7365361464 2.3801627249 -2.0654210828 H 1.6043908590 2.0980689855 -1.7307470884 O -2.8378326337 -1.3662857066 -1.3961416464 H -2.1058726592 -1.9026500906 -1.0734113366 O -0.6733065406 2.6397140862 0.2055733800 H -0.2153746429 2.6053028150 -0.6693414423 H -0.9516974106 3.5483604033 0.3355467549 O 2.9919279505 1.1692576815 -0.8127254594 H 3.9310313916 1.2123755011 -1.0024703407 H 2.7536985901 0.2289656580 -0.8101520846 O -2.8224939180 0.6131632865 0.6218480201 H -2.1517764271 1.2777800124 0.4039686717 H -2.8967308020 0.0285816718 -0.1544223917 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/8H2O/8h2O-BF3/gas/CONF23/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx Wavefunction 8h2O-BF3/ CONF23 gas 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/8H2O/8h2O-BF3/gas/CONF23/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20) Electronic spectrum 8h2O-BF3/ CONF23 gas 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/8H2O/8h2O-BF3/gas/CONF23/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read Single Point 8h2O-BF3/ CONF23 gas 0 1