%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF111/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 6Agua-BF3 CONF111 water 0 1 B 1.0152106646 0.4868468661 -0.0993933924 F -0.0423823310 0.7529452339 0.7642931704 F 1.1199564990 1.4964295048 -1.0589610149 F 2.1996479810 0.3714995020 0.6107703282 O 0.7807956747 -0.8023810500 -0.8357209595 H 0.7593682264 -1.6494917169 -0.2417353671 H -0.0682843379 -0.8199838568 -1.4424163411 H -2.4491806045 1.6558911521 -1.0585739410 H -1.5146095297 3.3991833525 -0.1535366980 H 0.4113592421 -1.0714642286 3.0623746998 O -1.2697421048 -0.8626883017 -2.2667529429 H -1.6505438213 -1.7441579519 -2.1762697424 O 0.7144365635 -2.8619473065 0.6187804638 H -0.1942775842 -3.1829986199 0.6077334822 H -1.9235763565 -0.2488285974 -1.8315493106 H 0.8522698741 -2.5146647099 1.5339865525 O -1.5028291348 3.1288470546 -1.0771390915 H -0.6133724405 2.7789953676 -1.2028259439 O -2.9303988720 0.7973411184 -1.0408489305 H -2.8683305459 0.5089518841 -0.1236610915 O 1.0962995147 -1.7484755760 3.0455044404 H 1.9094295191 -1.2496075420 2.9100121006 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF111/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 CONF111 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF111/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 CONF111 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF111/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 6Agua-BF3 CONF111 water 0 1