%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF115/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization basicity/ CONF115 water 1 1 B 0.5936222926 0.0109946275 -1.1064709402 F 0.3820852925 -1.4154612101 -1.1372626550 F 0.7362125862 0.3962741066 0.2290393569 F 1.7613621333 0.2790194789 -1.8142611339 O -0.5475125603 0.7014721091 -1.6663408880 H -1.7747260704 1.0409780949 -0.9032276495 H 1.3360521436 -2.3698091719 -0.2991593827 H 2.3089467770 -0.5066063250 1.7660903205 H -3.4067691039 4.1815592068 -0.5503076276 H -1.3570255102 -0.1256052681 1.8923045430 O 1.9455453192 -2.9004560025 0.2839835394 H 2.6703511830 -3.2214629582 -0.2757523749 O -2.6074301009 1.2997042504 -0.3535683927 H -2.6133446492 2.3167245243 -0.2483054628 H 2.3561263580 -2.2117588054 1.0302469695 H -2.4974099685 0.8751703923 0.5699406544 O -2.6211374450 3.8393251162 -0.1082085398 H -1.8829633955 4.1837001307 -0.6246725969 O 2.7813414160 -1.3318115863 1.9474078705 H 3.7126258258 -1.1300138779 1.7839485418 O -2.2690573756 0.1876995781 1.9192626055 H -2.2673077113 0.8722417397 2.5989617368 H -0.7460114641 0.4448472121 -2.5736539945 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF115/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction basicity/ CONF115 water 1 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF115/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read Wavefunction basicity/ CONF115 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/CONF115/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point basicity/ CONF115 water 1 1