%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/acidity/water/CONF8/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization acidity/ CONF8 water -1 1 O -0.9312665413 -0.3105107054 -1.3346367182 H 0.7543691938 0.2567931093 1.6575016645 H -1.4197974139 -0.5749563731 -2.1177724664 H -0.3731838933 1.0988565175 -1.3704742027 H 0.2530297330 -1.2112206459 -0.9833886857 H 1.4069557138 1.3103665692 -0.2779544792 O -2.2097309901 -0.4227563962 0.8297352291 H -1.7415169817 -0.3945067555 -0.0824956927 O 0.1207182557 -0.0780912178 2.3099068724 H -0.7110947885 -0.1866702827 1.8076255963 H -2.3948607486 -1.3532675069 0.9827014644 H 1.8698017939 -0.1339970848 -0.1036528886 O 1.0700027592 -1.7259274839 -0.6571546634 H 0.8290552528 -1.9939534619 0.2349513453 O 0.0695762640 2.0152112846 -1.2847690281 H -0.4533620254 2.4712991301 -0.6192836237 O 2.0362296178 0.7658123268 0.2378724991 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/acidity/water/CONF8/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction acidity/ CONF8 water -1 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-solo/acidity/water/CONF8/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read pop=nbo7read Wavefunction acidity/ CONF8 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/CONF8/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point acidity/ CONF8 water -1 1