%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF19/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization basicity/ CONF19 water 1 1 B -0.0167700196 -0.9562137673 -0.3897342915 F -0.6554988237 -0.5741700563 0.7866824470 F 0.3660749925 0.2225599203 -1.1058434268 F 1.1333760556 -1.6846819726 -0.0932064774 O -0.9496287386 -1.7463136225 -1.1892151580 H -2.2596372915 -1.3445965084 -1.3615473463 H 1.5308790300 1.1751831281 -0.3827867705 H 4.6134459583 -0.0741193767 -0.2805506669 H 0.2033916451 1.4438340682 2.2892864953 H -3.6981599292 1.5784121788 -0.1295690192 O 2.2089443412 1.6127971933 0.1870091786 H 1.7493558593 1.7647319113 1.1050165338 O -3.2796319487 -1.0359492748 -1.4737407139 H -3.4792139938 -0.3140372950 -0.7539873757 H 2.9776372435 0.9220015645 0.3074498726 H -3.8457603386 -1.7999897021 -1.2870856656 O 1.0094131396 1.9682188526 2.3714421517 H 1.5053643699 1.5380899154 3.0783379069 O 4.0270957672 -0.0941583626 0.4853240706 H 3.5841392465 -0.9499286322 0.4299155638 O -3.6939905409 0.7068181615 0.2840416948 H -2.8990351716 0.6987935022 0.8309616473 H -0.5815390702 -2.0262138557 -2.0364833560 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF19/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction basicity/ CONF19 water 1 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF19/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read Wavefunction basicity/ CONF19 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/CONF19/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point basicity/ CONF19 water 1 1