%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF104/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 6Agua-BF3 CONF104 water 0 1 B -0.1423424958 0.7040285687 0.5561214441 F -0.5863086463 0.0538590245 1.6955292463 F -0.3740739316 2.0758672771 0.6501996060 F 1.2224474547 0.4713161314 0.3657377186 O -0.9222331012 0.1887713412 -0.6150592355 H -1.0769815211 -0.8464102328 -0.6575037487 H -0.5818042675 0.5189485988 -1.5334257714 H 0.3295474670 3.4193373358 -1.0847599226 H -0.6809498445 -3.7061638658 1.8355389386 H 1.9869654541 -1.2780926200 1.5533017761 O -0.0632395518 1.0512837957 -2.8248387949 H 0.1692394828 1.9883756231 -2.6126471601 O -1.3327269717 -2.2594953172 -0.7574041411 H -0.8390928771 -2.7503322574 -0.0443153671 H 0.7812980850 0.6150181649 -2.9858079588 H -2.2663425262 -2.4014393296 -0.5641694428 O -0.0401622229 -3.5860049062 1.1273347970 H 0.6550073989 -3.0116009805 1.5164419658 O 0.5030993195 3.5624425197 -2.0220056844 H -0.2289667911 4.1155572421 -2.3147669855 O 1.8864229664 -1.9671492997 2.2204193351 H 1.3869770154 -1.5327165805 2.9199986202 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF104/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 CONF104 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF104/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 CONF104 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF104/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 6Agua-BF3 CONF104 water 0 1