%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF25/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization basicity/ CONF25 water 1 1 B -0.0051511910 -1.0378955254 0.1195542443 F 0.1963136072 -0.7062677889 1.4684628149 F -1.3031522432 -1.5288624566 -0.0391908276 F 0.1571262939 0.1270055097 -0.6690593580 O 0.9840107314 -2.0027238389 -0.3599602776 H -1.1099259331 1.4490136401 -0.5359516326 H 2.3175707058 -1.6390511536 -0.5010797858 H 3.7817437229 1.5655313860 -0.3368379789 H -2.0808390235 1.6766728085 2.7889926525 H -4.1134431134 0.5146717499 -1.4531664562 O 3.3435076750 -1.3603851152 -0.6187933162 H 3.6978641612 -1.8310331695 -1.3883857694 O -1.8620971558 1.9540646388 -0.1648028743 H -1.6758384767 1.9927104328 0.8609079242 H 3.3933929082 -0.3429829060 -0.8204688349 H -2.7056135054 1.3591400828 -0.3216293525 O -1.3068104063 1.9496793319 2.2812306949 H -0.6993362437 1.2003552608 2.3407514693 O 3.4233602470 1.1038746102 -1.1045106283 H 2.5052296716 1.3962655135 -1.1600163290 O -3.8403338253 0.4645657458 -0.5291214377 H -3.4845844139 -0.4275517137 -0.4265124452 H 0.9382399339 -2.8503346136 0.0990942468 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF25/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction basicity/ CONF25 water 1 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/basicity/water/CONF25/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read Wavefunction basicity/ CONF25 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/CONF25/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point basicity/ CONF25 water 1 1