%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF52/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization basicity/ CONF52 water 1 1 B -0.0365697656 -1.0338033153 -0.4883805414 F 0.7586421708 -2.1314154466 -0.8287718189 F -1.2976342852 -1.1775384067 -1.0585606451 F -0.1491241695 -0.9626270353 0.9115384810 O 0.5981334466 0.2304452643 -0.9314977781 H -3.5823488139 0.9784338441 -0.6125517147 H 1.8728275532 0.5243798209 -0.2876162987 H 2.9943954333 -2.2074126261 0.3844442403 H -0.4515508537 1.6782743158 -0.9301587004 H -1.7147056783 -0.1746741426 1.7999218515 O 2.8058916889 0.6734184134 0.1605796728 H 2.6590428112 1.1148341145 1.0118835700 O -3.1783332657 1.5925574183 0.0199897768 H -2.2706756518 1.9590944042 -0.4194366467 H 3.2144207696 -0.2758010153 0.3567630373 H -2.9268114078 1.0393656463 0.8694509575 O -1.0874548555 2.4269010967 -0.9608342328 H -0.7243442411 3.0982137952 -0.3696986414 O 3.7136403235 -1.6016584597 0.6035409769 H 4.4058737903 -1.7996022978 -0.0394039967 O -2.5255745307 0.2915912937 2.0547864629 H -3.1767158996 -0.4048381505 2.2043351927 H 0.7869097078 0.2180914260 -1.8799840203 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF52/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction basicity/ CONF52 water 1 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF52/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read Wavefunction basicity/ CONF52 water 1 1 $nbo PLOT File=opt-b3lyp bndidx nbcp ncu $end --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF52/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point basicity/ CONF52 water 1 1