%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF102/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 6Agua-BF3 CONF102 water 0 1 B 0.6496703596 0.6415486067 0.4263796800 F -0.5867673044 1.1043581648 0.8719441066 F 1.4640375192 1.7231965655 0.0818260063 F 1.2585219669 -0.1214931554 1.4099493697 O 0.4987937451 -0.2105955432 -0.7986313742 H 0.0619245224 -1.1595332297 -0.7093773508 H 0.0874480975 0.2630613045 -1.6177040378 H 1.9054927860 2.9412318705 -3.0993903242 H -1.5305362585 -0.2530692878 2.7514120427 H -1.4225488581 -3.8411154135 1.8436555779 O -0.4569787569 0.9685975373 -2.8188919501 H 0.0639894762 1.8070507485 -2.8359994653 O -0.4971849161 -2.4879531380 -0.7241646886 H -1.1592663693 -2.5074315772 -1.4250259138 H -1.3584788910 1.2366662443 -2.6085480714 H -0.9989045280 -2.6917975946 0.1137349781 O -1.2854689765 -1.0494864467 3.2342654982 H -0.3225669069 -1.0365346620 3.2194907812 O 1.1001940525 3.1672015273 -2.6215715125 H 1.3204021469 2.9967603615 -1.6985867117 O -1.8393271960 -3.0572385649 1.4709595900 H -1.6593022953 -2.3442320511 2.1231296636 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF102/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction 6Agua-BF3 CONF102 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF102/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 6Agua-BF3 CONF102 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF102/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 6Agua-BF3 CONF102 water 0 1