%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/acidity/water/CONF7/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization acidity/ CONF7 water -1 1 O 0.2296720533 0.9210746018 -1.1947875145 H 0.8131296269 1.2933254610 0.1387997404 H 0.6630151046 1.4391666123 -1.8781622206 H -1.3293271625 1.2097157729 -1.2537931316 H 0.6185720224 -0.5323372430 -1.3535105640 H 1.3922520059 -1.4723703765 0.3755610065 O -1.3159760825 -1.1523101759 1.4992267882 H -1.4825805902 -0.5634199320 0.7590092936 O 1.1992933246 1.4644245114 1.0759727946 H 0.4237767788 1.5571111948 1.6373374417 H -0.3448425544 -1.2471421432 1.5043002950 H 1.5096705704 -0.2875098290 1.3368809971 O 0.8853543807 -1.5219759875 -1.3689924804 H 0.0543298573 -1.9917635484 -1.2509248094 O -2.3162201815 1.3921453349 -1.2803350290 H -2.6551371554 1.0293903770 -0.4603596018 O 1.5100611476 -1.2689160708 1.3271571238 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/acidity/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 acidity/ CONF7 water -1 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/acidity/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 acidity/ CONF7 water -1 1 $nbo PLOT File=opt-b3lyp bndidx nbcp ncu $end --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/acidity/water/CONF7/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point acidity/ CONF7 water -1 1