%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF6/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization basicity/ CONF6 water 1 1 B 0.1279867475 -0.8573764757 -0.2722363806 F -1.0462888345 -1.5117995729 0.0768802165 F -0.2223426574 0.3807589477 -0.8980067557 F 0.8919531557 -0.5678965037 0.8569363372 O 0.9413931520 -1.6742185276 -1.1741068229 H -1.4221049335 1.2558556224 -0.1552625364 H 2.0936308024 -1.0966137347 -1.6750930738 H 4.5934860899 -0.0187861286 0.4141831908 H -0.9135933683 2.1161682789 3.0553292032 H -3.8810912323 -0.6602701715 -0.1400175474 O 3.0054460798 -0.6376248579 -2.0023793445 H 2.7810607207 0.0262325611 -2.6718394895 O -2.1413761147 1.6490683771 0.3963453729 H -1.8414829489 1.5279017889 1.3840364306 H 3.4040794272 -0.1366424047 -1.1826815722 H -2.9918326289 1.0740921634 0.2319171836 O -1.3753233139 1.3187466913 2.7673554984 H -0.6890773038 0.6406484678 2.7304104949 O 3.9055857491 0.5347609356 0.0241513780 H 3.1810742697 0.5111464370 0.6621714482 O -4.1824978444 0.2507454945 -0.0363529815 H -4.7369180312 0.2375192171 0.7534254405 H 0.4351970456 -2.0498971571 -1.9051471776 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF6/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction basicity/ CONF6 water 1 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF6/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read Wavefunction basicity/ CONF6 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/CONF6/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point basicity/ CONF6 water 1 1