%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF5/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization basicity/ CONF5 water 1 1 B -0.0979665029 -0.5992271111 -0.7170420942 F 0.9735927133 -0.5073046959 -1.5943073406 F 0.3282572972 -1.1148113772 0.5215295356 F -0.6283355826 0.6967684619 -0.5102827004 O -1.1202275701 -1.5186033271 -1.2244956466 H -2.1957985013 -1.7634954188 -0.4305850499 H 3.3954229126 0.8738059975 -0.8858552032 H 2.6418216267 -0.0254266752 2.4917456344 H 0.5820611781 2.1996376130 -0.1833128608 H -4.2176835387 0.7276768588 0.8413474587 O 3.3407141446 1.3123788665 -0.0223613213 H 2.5074490121 1.9516139945 -0.0540272489 O -3.0524070521 -1.9283429923 0.2105641361 H -3.2548092852 -1.0264247424 0.6782397925 H 3.1505915764 0.5609018500 0.6973303306 H -2.7976756458 -2.5630996632 0.8972313633 O 1.3384781035 2.7929688551 -0.0567033377 H 1.3586677720 3.3458694053 -0.8473450585 O 2.8396881799 -0.4499661475 1.6472658498 H 1.9898879337 -0.8077711813 1.3422556202 O -3.4722505337 0.3091571341 1.2886230699 H -2.7063438062 0.8407677527 1.0380349655 H -1.4281351730 -1.2926857992 -2.1111770692 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF5/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction basicity/ CONF5 water 1 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF5/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read Wavefunction basicity/ CONF5 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/CONF5/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point basicity/ CONF5 water 1 1