%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF12/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq Optimization 7H2O-BF3/ CONF12 gas 0 1 O 1.0456681697 1.3696998585 1.1875453822 H 1.3393085093 0.5087547288 1.6811862626 H 1.4349190815 1.3662728166 0.2106585081 H 2.2837279818 -1.3114916470 1.7051556849 O -0.5411574749 2.5400559718 -1.9822124491 H -1.0129782416 1.9668627188 -2.5919312129 O -1.4217040139 1.1901177245 0.5741573226 H 0.0358004855 1.3305257877 1.0571225095 H -0.9986408496 2.3855869597 -1.1445486421 H -2.0882346073 1.5341209746 1.1737664142 O 1.7140395435 -0.7789073986 2.3142337881 H 0.9126989193 -1.2965933483 2.4384333826 O 1.0871639164 -1.4523695520 -1.3632831220 H 0.3342795192 -1.3910676486 -0.7423461987 H 0.7323596948 -1.8572395211 -2.1581610637 O 1.7406677228 1.2983091893 -1.2005544899 H 1.0132297960 1.8151165618 -1.6217617943 H 1.5852454734 0.3714076933 -1.4557646943 O 3.0679037435 -2.1309718100 0.4542092537 H 3.8986407796 -1.7352193258 0.1853415414 H 2.4698952750 -2.0521440555 -0.3098746028 B -1.8310190011 -0.1409705675 0.0522690511 F -0.8427713218 -1.0964283956 0.4757650395 F -3.0621636330 -0.4912836153 0.5472008121 F -1.8104860083 -0.1242627476 -1.3398365995 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF12/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx Wavefunction 7H2O-BF3/ CONF12 gas 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF12/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20) Electronic spectrum 7H2O-BF3/ CONF12 gas 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF12/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read Single Point 7H2O-BF3/ CONF12 gas 0 1