%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF158/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 9Agua-BF3 CONF158 water 0 1 B -0.2661251619 -1.6092316665 0.9616390527 F -1.3135988442 -2.2422371583 1.6199303274 F 0.9605006190 -2.0306805665 1.4605352943 F -0.3357988738 -1.8795495802 -0.4106019846 O -0.3870064054 -0.1371819009 1.2185140389 H -1.3034227273 0.3095776470 0.9326679936 H 0.3638035400 0.4446785089 0.8066032988 H -2.0789175640 3.0265659604 -2.0383104618 H -0.2326505678 3.6010329530 -0.4029491011 H 3.0020622472 -2.5135326178 -0.5879463034 O 1.3651945902 1.2844474351 0.1213175646 H 1.2089299448 2.2502124889 0.2372290783 O -2.5020752630 0.9440086485 0.5028222009 H -3.0014740187 0.2267006216 0.0506626740 H 2.2970381423 1.0507431098 0.3627960704 H -2.2295074183 1.5736648416 -0.2040824670 O 0.5158518621 3.8596142759 0.1667547454 H 0.1185954572 3.9953161524 1.0330316733 O -1.5027124703 2.6345583545 -1.3742620033 H -0.9160668407 2.0064882171 -1.8566933447 O 3.0347267687 -1.7192933089 -1.1321146595 H 2.1083115692 -1.4975058028 -1.2761776997 O -3.7087884698 -1.2141067277 -0.6619470465 H -3.7479096506 -1.8016278243 0.1005564562 H -2.9624397781 -1.5500342432 -1.1700397788 O 0.2872525358 0.8415972962 -2.3771216955 H 0.8102545248 0.9412250576 -1.5558580500 H -0.1556468259 -0.0059979567 -2.2667207965 O 3.7574002785 0.2660917689 0.6348257203 H 3.6317756107 -0.1324858801 1.5025298669 H 3.5840192599 -0.4671258252 0.0054127795 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF158/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 CONF158 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF158/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 CONF158 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF158/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 9Agua-BF3 CONF158 water 0 1