%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF23/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization basicity/ CONF23 water 1 1 B 0.2874422243 -0.8030617996 0.7298731964 F 0.2855614187 0.1594506803 -0.3130274910 F 0.3190468884 -0.1391754743 1.9656576211 F -0.8839388399 -1.5575432049 0.6583289141 O 1.4707703538 -1.6303058052 0.5275357655 H -1.2350697725 1.0260426591 -0.6520067352 H 2.6198176689 -1.2863027030 -0.1834974819 H 3.2881030568 1.4644749614 -2.3100453447 H -1.2294586916 1.4950641291 2.2179525536 H -3.3666715617 -1.1707601459 -0.4800062653 O 3.4927834033 -1.0386509452 -0.7404145735 H 3.8028685772 -1.8432205095 -1.1834970808 O -2.1024743060 1.4606413930 -0.5061432638 H -2.0721209749 1.7666513157 0.4923856140 H 3.2352770976 -0.3517106170 -1.4796869707 H -2.8271715198 0.7166665403 -0.5928573050 O -1.9145079171 2.1007269998 1.9059031591 H -1.5166085375 2.9764782005 1.9737881623 O 2.8463692686 0.6268005775 -2.4968616764 H 1.9082748467 0.8097910286 -2.3629873261 O -3.8241622250 -0.3524574492 -0.7096219357 H -4.4753206777 -0.2338555556 -0.0076378955 H 1.6694502418 -2.2159594389 1.2670889587 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF23/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction basicity/ CONF23 water 1 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF23/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read Wavefunction basicity/ CONF23 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/CONF23/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point basicity/ CONF23 water 1 1