%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF134/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 9Agua-BF3 CONF134 water 0 1 B -0.0769832457 -2.0160095229 -0.0079910061 F 0.6887646785 -3.1718746952 0.0116951995 F -1.4311848024 -2.3129232845 0.0645332852 F 0.2745503235 -1.2040117017 1.0957083330 O 0.1824723231 -1.3000932499 -1.2835095117 H -0.3247815963 -0.3714669925 -1.4441991117 H 1.1713766276 -1.2410702602 -1.5840283700 H -1.2516065340 -0.0556564827 1.8970965154 H 3.2890297115 0.9524664425 -0.0891565637 H -0.5024853649 2.9358047677 0.5329136445 O 2.5662909042 -1.2158736133 -2.0629669646 H 3.0810682138 -0.5006191960 -1.5976647776 O -1.0151126460 0.8080362778 -1.6760130332 H -1.9022172897 0.6870168414 -1.2545503109 H 2.9706781823 -2.0445045115 -1.7821541410 H -0.5761339383 1.5232740712 -1.1577732092 O 3.9026966082 0.6894451067 -0.8171471714 H 3.9034859134 1.4397020121 -1.4202369009 O -2.0637037088 0.4363899240 2.0734974102 H -2.4720816091 -0.0027430148 2.8280878334 O 0.1792936295 2.6952043900 -0.1447912614 H 0.4106100598 3.5149751175 -0.5938930623 O -1.6987767235 3.1495337416 1.7013004199 H -1.8462740556 2.2164329889 1.9513059022 H -2.4801539189 3.3818376138 1.1882281862 O -3.3588091885 0.3986184045 -0.3875888027 H -2.9887980514 0.3833844367 0.5167987666 H -3.5516285843 -0.5246627337 -0.5804528801 O 2.1669869419 1.3218664832 1.1345688956 H 1.4922848760 1.8707575475 0.6817933606 H 1.7209732972 0.4805753719 1.2802993346 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF134/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction 9Agua-BF3 CONF134 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF134/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 9Agua-BF3 CONF134 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF134/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 9Agua-BF3 CONF134 water 0 1