%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF34/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization basicity/ CONF34 water 1 1 B 0.2479801162 -0.0068950246 -0.8456915489 F 0.1301764981 -0.8749341173 0.2547886823 F -0.9785340538 -0.0383369727 -1.5630011245 F 0.4891464040 1.2865648330 -0.3922933817 O 1.3433537939 -0.4038444717 -1.7286457311 H -2.3893891710 0.4770140439 -0.6591851129 H 2.5728558838 -0.7170092734 -1.1337057874 H 1.9460705921 -2.0432522137 1.5485956298 H -1.1753746827 3.1061068835 0.2970388029 H -2.1119786454 0.0814905116 2.7741397282 O 3.4923582982 -0.9926864112 -0.6715816843 H 3.9793102991 -0.1837144184 -0.4516670449 O -2.9766543235 0.8440625990 0.0389224634 H -2.6517468359 1.8244521867 0.1887006765 H 3.2717946795 -1.4856359048 0.2199960824 H -2.7607105829 0.2965408564 0.8997342134 O -2.1355817109 3.1830836268 0.3651588466 H -2.3924019566 3.7077009765 -0.4037421267 O 2.8974117475 -2.1782530475 1.4530312837 H 2.9983585396 -3.1288447623 1.3198684659 O -2.3725746449 -0.5166781912 2.0625912198 H -1.5466004093 -0.9334157810 1.7806243552 H 1.1149077091 -1.1513826718 -2.2953533365 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF34/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction basicity/ CONF34 water 1 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF34/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read Wavefunction basicity/ CONF34 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/CONF34/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point basicity/ CONF34 water 1 1