%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF15/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization basicity/ CONF15 water 1 1 B 0.1178962043 -0.8000277283 -0.2853264611 F -1.0255746446 -1.5124604722 0.0617132737 F -0.2519444480 0.4278858880 -0.9008518281 F 0.8520959387 -0.5006920831 0.8724054942 O 0.9115602802 -1.5330370523 -1.2712681062 H -1.5384795880 1.2689173698 -0.1830967143 H 2.1091277357 -0.9877072576 -1.6975334944 H 3.1317211701 0.4710661601 0.7217670187 H -0.8262514393 2.1453870448 2.9598590996 H -3.8990934696 -0.7908009640 0.0903661288 O 3.0478113048 -0.5562656859 -1.9808642929 H 2.8799033558 0.1138109900 -2.6605639782 O -2.2469414489 1.6257502217 0.4016368821 H -1.8772294806 1.5312879226 1.3691360521 H 3.4198161813 -0.0697607433 -1.1397143279 H -3.0705730372 0.9984050915 0.2920858341 O -1.2900559472 1.3374689284 2.7075264490 H -0.5917519672 0.6789660819 2.6001567295 O 3.8707214402 0.5590533482 0.1062159183 H 4.5712416306 0.0132922044 0.4844688873 O -4.2300159064 0.1154986235 0.1199575931 H -4.5992840819 0.2692245060 -0.7586303522 H 1.0671632691 -2.4512074189 -1.0173657643 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF15/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction basicity/ CONF15 water 1 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF15/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read Wavefunction basicity/ CONF15 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/CONF15/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point basicity/ CONF15 water 1 1