%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/acidity/water/CONF9/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization acidity/ CONF9 water -1 1 O -0.5108990216 -0.1024429268 -1.1885358862 H 1.0034705851 0.3315046688 -0.9153923841 H -0.8982806811 -0.0908301693 -2.0681653847 H -0.8030321112 1.5032877890 -0.6537894729 H 0.0846730831 -1.6867185205 -1.1312015900 H -0.1987744300 0.0683366243 1.8080741762 O -1.6723087634 -0.8311071459 0.9958883327 H -1.3568798637 -1.7340179901 1.0974021353 O 1.9090256834 0.6015486842 -0.5799919872 H 1.8931247060 1.5621241747 -0.6159196436 H -1.3209806079 -0.5552417327 0.0945734780 H 1.1453709675 0.5432962182 1.2645937298 O 0.4520981069 -2.6034108923 -1.0527783073 H 1.2972654817 -2.4717412331 -0.6158946002 O -0.9150919697 2.3987695616 -0.2499484222 H -0.5437961078 2.2822422795 0.6292038761 O 0.6203459723 0.5183978919 2.0796406087 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/acidity/water/CONF9/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction acidity/ CONF9 water -1 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/acidity/water/CONF9/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read Wavefunction acidity/ CONF9 water -1 1 $nbo PLOT File=opt-b3lyp bndidx nbcp ncu $end --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/acidity/water/CONF9/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point acidity/ CONF9 water -1 1