%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF161/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 7H2O-solo/ CONF161 water 0 1 O -1.3509848182 0.3636889021 -2.0386441268 H -0.9192049567 1.1576305388 -2.3708776823 H -0.6171246262 -0.1752618328 -1.6716539620 H 1.1666935463 1.7974474352 0.5074167645 O -1.1283878010 -1.3275293273 1.4165208510 H -1.6133103583 -0.5158936519 1.1683874834 O -2.2020078233 1.0265905346 0.4290336187 H -1.9863125011 0.8394405206 -0.5164344882 H -1.6931403886 -2.0443598537 1.1111960815 H -3.1294384112 1.2817740446 0.4539694491 O 1.8525390350 1.3947123565 -0.0719164385 H 2.5782473812 1.1831810194 0.5237531814 O 2.6047623390 -2.9544447066 -0.6975596090 H 1.9205587900 -2.2591080081 -0.6975115812 H 2.4900930852 -3.3941923547 -1.5432909154 O 0.6556992214 -0.9663150714 -0.6852327419 H 1.1255928845 -0.1313910038 -0.4507633993 H 0.0888648392 -1.1609416592 0.0916575881 O -0.1139430943 2.4168521996 1.5269692894 H 0.0387036128 1.9358556251 2.3469158581 H -0.9110040460 1.9940792630 1.1456234639 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF161/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction 7H2O-solo/ CONF161 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF161/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=20) Electronic spectrum 7H2O-solo/ CONF161 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF161/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 7H2O-solo/ CONF161 water 0 1