%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF294/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 9Agua-BF3 CONF294 water 0 1 B -0.5603098478 -1.7352195031 -1.1383093148 F 0.0828467455 -2.7583149974 -1.8181919471 F -1.8541022935 -1.5496582937 -1.6089632174 F -0.5837875790 -2.0120649824 0.2287455456 O 0.2034693466 -0.4628719838 -1.4093512199 H -0.2093567854 0.4120485119 -0.9769586580 H 1.1803581655 -0.4877754159 -1.1175142933 H 1.5311330974 -1.5312009514 2.1903828079 H 2.8614624843 2.5280734759 -0.4521633734 H -0.1479206455 1.6287339871 2.8065518348 O 2.6018377537 -0.4034676731 -0.5412777925 H 2.9827196819 0.4984747840 -0.7516933095 O -0.7015351380 1.5764355014 -0.3354582447 H -1.6875986041 1.5567689725 -0.4383476903 H 3.2066239523 -1.0558905800 -0.9116373126 H -0.5554260387 1.3728082005 0.6224830947 O 3.4716649697 2.0145816835 -1.0286257617 H 3.1844407648 2.2167862717 -1.9253582042 O 1.8667103524 -0.6312344235 2.1235100278 H 2.1791107645 -0.5601214675 1.1990491252 O -0.3358066698 0.8756481396 2.2369173273 H 0.4871734380 0.3228863275 2.2292743212 O -3.3614623425 1.2173106941 -0.4105053388 H -3.4347962374 0.5578205113 -1.1082546148 H -3.3027882448 0.6863999964 0.4145599934 O -2.9007232868 -0.2661652604 1.8655396917 H -2.0330298948 0.1145603452 2.0932805026 H -2.6832357683 -1.1156173035 1.4684141556 O 1.6817033221 3.2884293628 0.5873254807 H 0.8597113491 3.0432661910 0.1435750747 H 1.6857200564 2.7343561073 1.3755525011 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF294/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 CONF294 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF294/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 CONF294 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF294/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 9Agua-BF3 CONF294 water 0 1