%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF133/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 9Agua-BF3 CONF133 water 0 1 B 0.2452222276 -1.4629561476 -0.7206622685 F 1.0046167679 -2.5197836051 -1.1970789902 F -0.4241363980 -0.8420232551 -1.7786722035 F -0.6916511315 -1.9373392463 0.2157295225 O 1.1347634067 -0.5025494919 -0.0178673204 H 0.6482748772 0.2588567904 0.5964386527 H 1.8346017687 -0.0294354849 -0.6030435175 H 0.3801520757 0.5337271203 4.3181853733 H 0.7722605799 2.9354419262 -1.4701784561 H 0.3414329538 -2.4667396206 2.2005526697 O 2.8294556995 0.7960421751 -1.3844058409 H 2.4486215876 1.7091414724 -1.2985047910 O 0.0923962923 1.2156441529 1.3519265599 H -0.7856355545 1.4357888017 0.9571111111 H 2.7298985363 0.5693914036 -2.3156122425 H -0.0766977380 0.8382194798 2.2568530484 O 1.6411407183 3.1672409601 -1.0671100097 H 1.4689135515 3.1718254418 -0.1197770984 O -0.2476966724 0.0977902647 3.7330244917 H 0.1629578712 -0.7709732660 3.5313421122 O 0.9072334789 -2.2727093978 2.9557420920 H 1.7226417887 -1.9553156707 2.5539639123 O -3.3939254802 -0.6387911176 -0.2626659136 H -3.4167440636 -0.7543070237 -1.2186860767 H -2.6722166309 -1.2122360514 0.0217915844 O -2.2048995653 1.7612952463 0.0719977677 H -2.6908432795 0.9110939943 -0.0500518090 H -2.8265325960 2.3713887602 0.4820203889 O -0.7096707496 2.3789779622 -2.1739262865 H -0.4599559567 1.4909683242 -2.4491147075 H -1.2970257086 2.2275054253 -1.4073696399 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF133/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 CONF133 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF133/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 CONF133 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF133/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 9Agua-BF3 CONF133 water 0 1