%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF7/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization basicity/ CONF7 water 1 1 B 0.6586056902 0.3581078352 0.8661015212 F 0.3202318774 0.2807322871 -0.5142372739 F 0.2528464679 1.5967932768 1.3656676390 F -0.0067774006 -0.6606982487 1.5517890496 O 2.1134466425 0.2174010791 0.9306760756 H -1.3237812557 0.6526990454 -0.8511154948 H 2.7295705273 -0.8087552611 0.2598726363 H 1.3885302476 -1.2029264825 -2.5474471779 H -3.4190027124 2.8051885589 1.0442398709 H -2.5670724921 -1.4001160674 1.0362398446 O 3.2314818553 -1.5804072563 -0.2947372337 H 3.0535946129 -2.4282587185 0.1400747900 O -2.2936353349 0.8204777279 -0.8408132936 H -2.4441066801 1.6891798012 -0.2871801972 H 2.8277624301 -1.6263746939 -1.2509644403 H -2.7153485701 0.0236084231 -0.3196054879 O -2.6218955178 2.9105211479 0.5102942537 H -1.8985910027 2.9297043319 1.1500182526 O 2.2299354880 -1.6731086060 -2.5951160418 H 2.7743296081 -1.1404406176 -3.1877236290 O -3.2632201498 -1.1096296802 0.4333758173 H -3.3820388508 -1.8470775948 -0.1782085016 H 2.4621134620 0.2714271245 1.8290863703 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF7/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction basicity/ CONF7 water 1 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF7/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read Wavefunction basicity/ CONF7 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/CONF7/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point basicity/ CONF7 water 1 1