%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF105/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 6Agua-BF3 CONF105 water 0 1 B 1.6792512802 0.5475559991 -0.0078417448 F 2.1500777434 -0.2784643054 0.9988033759 F 0.7791951269 1.4857305236 0.5105299192 F 2.7239285524 1.2085425235 -0.6424753921 O 0.9970556806 -0.3143808832 -1.0317329442 H 0.5145525202 -1.1562709172 -0.6776894245 H 0.3490794503 0.2007016816 -1.6677674093 H -2.6681362126 0.5438109928 -0.3701867986 H -1.9200596923 -0.0948677556 1.6308056176 H -1.7480207735 -2.3315936746 2.6593706138 O -0.5860285874 0.9244410674 -2.5090705603 H -1.4774462287 0.7679348343 -2.0903117344 O -0.1914259359 -2.3857541508 -0.2229691545 H 0.4701809705 -3.0691392867 -0.0684976541 H -0.4041451373 1.8620986547 -2.3792375278 H -0.5717685897 -2.1935911768 0.6640047618 O -2.1644211673 0.7745228635 1.2647795048 H -1.3167870993 1.2125613190 1.1304654579 O -2.8951297875 0.4430384249 -1.3241838393 H -3.4733927534 1.1871229792 -1.5197604423 O -1.1957397187 -1.6918421963 2.1960183889 H -0.4554276007 -1.5164939368 2.7877912827 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF105/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction 6Agua-BF3 CONF105 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF105/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=20) Electronic spectrum 6Agua-BF3 CONF105 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF105/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 6Agua-BF3 CONF105 water 0 1