%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF32/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization basicity/ CONF32 water 1 1 B -0.1833509023 -0.4060179888 -0.7631803690 F 0.4763275274 -1.4532953115 -0.1115253928 F -0.7968409563 0.4246234776 0.1651833186 F 0.7897037302 0.3534514116 -1.4811832248 O -1.1933915758 -0.8878597369 -1.7016045694 H -2.4831731881 -1.2035796849 -1.3117745951 H 2.1260039426 0.9471515007 -0.6378239069 H 3.8614556169 -1.2377985861 1.3196676867 H 2.8267859675 4.0601002936 0.6476327125 H -4.4950240613 0.6660867021 0.8227103867 O 2.8982709716 1.1931270001 -0.0761851803 H 2.6833557325 2.0808064605 0.4183888492 O -3.4959121704 -1.4071749152 -1.0337152076 H -3.7130509674 -0.8855400745 -0.1600910711 H 3.0118982841 0.4328414882 0.6227332984 H -3.5719848073 -2.3540632747 -0.8382374502 O 2.4034152850 3.3396111291 1.1307007519 H 2.8565626896 3.3169673927 1.9825170289 O 3.1295003712 -0.6712318820 1.5934303871 H 2.3396038987 -1.2114871613 1.4610147893 O -3.9898018016 -0.1208671960 1.0627684218 H -3.1395651484 0.2185220532 1.3685788562 H -0.8627615966 -1.5626380806 -2.3065141511 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF32/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction basicity/ CONF32 water 1 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF32/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read Wavefunction basicity/ CONF32 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/CONF32/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point basicity/ CONF32 water 1 1