%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF9/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization basicity/ CONF9 water 1 1 B 0.1299879023 0.0119595148 -1.2853127360 F -1.0242545435 -0.3368821656 -1.9785533776 F 0.1434467067 1.3701733208 -0.9936935087 F 0.1366463590 -0.7156989230 -0.0442051424 O 1.3340565469 -0.3076422931 -2.0487912845 H -1.0964326974 -0.5089623639 0.9888784230 H 2.5552041027 -0.1384001138 -1.4066640810 H 3.5222719554 -1.3647186747 1.7327682503 H -3.5433160925 -1.1817175841 -0.7110328089 H -1.4691734692 2.4648214915 2.5059177572 O 3.4909302580 -0.0205882999 -0.9037116584 H 3.7658387876 0.9049005935 -0.9897308597 O -1.8929095716 -0.3064400368 1.5407291055 H -2.7167205235 -0.6360328070 1.0032873922 H 3.3493705243 -0.2162872140 0.1080449876 H -1.9347942506 0.7273432653 1.6224030361 O -3.8523680556 -1.1399508963 0.2029661520 H -4.5402669501 -0.4628254029 0.1958770656 O 3.1245804243 -0.5093556578 1.5284352828 H 2.1762492723 -0.6457030875 1.6462498084 O -1.9407095650 2.1997338249 1.7068187720 H -1.3898531638 2.5167729636 0.9803834869 H 1.3151474906 -1.1939063452 -2.4314345786 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF9/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction basicity/ CONF9 water 1 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF9/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read Wavefunction basicity/ CONF9 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/CONF9/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point basicity/ CONF9 water 1 1