%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/basicity/gas/CONF169/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq Optimization basicity/ CONF169 gas 1 1 O -2.4404672183 0.0107070053 0.9292709338 H -2.7318337963 0.4269908440 0.0721781382 H -3.2264412789 -0.3402171512 1.3552888601 H 0.7026893200 1.3455864373 1.3387145125 H 0.0834179495 -2.1443040064 0.0627710980 H 1.2992288369 -3.6031937936 1.9710337255 O -3.0033218986 0.9413265958 -1.4432953967 H -3.1541190770 1.8684182775 -1.6378082629 O 1.5417906243 1.3736081873 0.7370380121 H 2.0568385135 0.5006840603 0.7942280469 H -2.2692797628 0.6488525805 -2.0108660690 H 1.2963686978 1.6029221333 -0.2354628094 O -0.3104433379 -1.3385954268 -0.2870573530 H -1.0850154073 -1.1148721838 0.2544570613 O -0.4745209269 1.2693471964 2.2101292747 H -1.2756554470 0.8607508873 1.8059959644 O 1.5367492171 -3.2536580401 1.1075475007 H 1.9524861337 -3.9800607510 0.6343692488 O 2.8942911544 -0.7754676967 0.8876047289 H 3.6543146167 -0.7567341892 1.4737057678 H 2.4474477460 -1.6297148183 1.0130129605 O -0.6097395859 -0.0575531793 -2.5419323523 H -0.5479520668 -0.5418413479 -3.3688655395 H -0.4572937709 -0.6966707386 -1.8006399955 O 0.8789538400 1.9669783309 -1.6083114875 H 1.5447072735 2.3342403112 -2.1942658763 H 0.3984871922 1.2593423021 -2.0929101710 H -0.7416096264 2.0795436008 2.6503985503 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/basicity/gas/CONF169/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx Wavefunction basicity/ CONF169 gas 1 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/basicity/gas/CONF169/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read pop=nbo7read Wavefunction basicity/ CONF169 gas 1 1 $nbo PLOT File=opt-b3lyp bndidx nbcp ncu $end --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/basicity/gas/CONF169/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read Single Point basicity/ CONF169 gas 1 1