%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF2/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization basicity/ CONF2 water 1 1 B -0.7424890279 0.4830204063 0.3518660706 F -0.5294419514 -0.8023601539 0.8764453639 F -0.2376667212 1.4335461394 1.2316620159 F -0.0644587641 0.5737714200 -0.8907404992 O -2.1568442942 0.7256548112 0.0626626219 H -2.7863589148 -0.1675062502 -0.7735166900 H 1.6427252144 0.6258604517 -0.8036143303 H 1.8130071520 -1.5097929135 1.2719521574 H 2.2753241485 2.9812911564 1.1478037942 H -2.4247199436 -3.6061343968 -0.5724356223 O 2.5940915162 0.6120611328 -0.5492273478 H 2.7914097334 1.5190466766 -0.0775299413 O -3.2573580196 -0.8897429267 -1.4158933755 H -2.7250174421 -1.7766963957 -1.3312776086 H 2.6848992205 -0.1514806349 0.1511918980 H -3.1764207609 -0.5795111716 -2.3305233617 O 3.0494422428 2.7926726055 0.6023833927 H 3.0603913937 3.4973449224 -0.0573868159 O 2.7332110044 -1.2505672532 1.1350593853 H 3.0125418241 -0.8799785546 1.9814171675 O -1.9218889434 -3.0024059880 -1.1325658823 H -1.1734196606 -2.7283501223 -0.5875769923 H -2.6914734058 0.8294660928 0.8594893789 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF2/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction basicity/ CONF2 water 1 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF2/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read Wavefunction basicity/ CONF2 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/CONF2/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point basicity/ CONF2 water 1 1