%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/gas/CONF9/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq Optimization 9Agua-solo CONF9 gas 0 1 O 1.0482614280 -1.4536800773 -1.7852727403 H 0.3949316262 -1.0109248622 -2.3668861370 H 0.5233692613 -1.9032279529 -1.1036458242 H 0.9596766979 -0.3200675408 2.3984033238 H 0.3466029304 -1.8781019087 1.1619263159 H -1.2446092623 0.4746730951 -2.4823860776 O -0.2116376711 1.1463599841 2.4994469827 H -0.2465488870 1.7485906937 3.2441140259 O -1.7443770147 1.4051050787 -1.0738238346 H -2.4818756240 2.0113827462 -1.1631474858 H 0.1156926824 1.6692104555 1.7121552295 H -1.9686011951 0.7880223971 -0.3159323530 O -0.3623709033 -2.2586179262 0.5686170025 H -0.5038985523 -3.1613148973 0.8594390106 O 1.4625268759 -1.0582320549 2.0116482846 H 1.9949883014 -0.6428256672 1.3110947863 O -0.9109891143 -0.1400591132 -3.1660108646 H -1.6455557159 -0.7182278189 -3.3763878173 O 2.3647325302 0.2446088823 -0.3378369881 H 1.8937746905 -0.3864935171 -0.9608146901 H 3.2568337383 0.3489256413 -0.6727084729 O -2.1777502655 -0.1646060830 0.9535570585 H -1.6783872873 0.2775048869 1.6617981367 H -1.6866906175 -0.9929019089 0.7964751565 O 0.6070070746 2.2978894715 0.3070808490 H -0.1404269342 2.1531645971 -0.2955876509 H 1.3073572621 1.6907715484 0.0001192518 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/gas/CONF9/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx Wavefunction 9Agua-solo CONF9 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/gas/CONF9/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20) Electronic spectrum 9Agua-solo CONF9 gas 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/gas/CONF9/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read Single Point 9Agua-solo CONF9 gas 0 1