%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF116/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 9Agua-BF3 CONF116 water 0 1 B 0.9421754336 -2.0676729788 -0.7686003160 F 0.4727204539 -3.1340504195 -0.0170099328 F 2.1138855228 -1.5676665093 -0.2005314326 F 1.1623101465 -2.4393420455 -2.0866090615 O -0.1250196410 -1.0016308956 -0.7801956815 H -0.3280935550 -0.5703199997 0.1535432375 H 0.0852594554 -0.2353466843 -1.4273970511 H -0.8301038517 2.4189966940 -1.6961839694 H 2.7801436921 0.9062369639 -0.3877707613 H 1.6215660142 -1.5081622037 2.8547052951 O 0.4835723546 0.9476126280 -2.2956872272 H 1.2818499045 1.2838920261 -1.8083842916 O -0.5454841246 0.0662818562 1.4311681805 H -1.5234141211 0.1417851325 1.6264826999 H 0.7973630232 0.6501959317 -3.1570620443 H -0.1369217916 -0.5231614926 2.1118504161 O 2.4744495267 1.7583621615 -0.7157058734 H 1.8800777459 2.0911607858 -0.0105857206 O -1.2810184110 3.0089677278 -1.0760616475 H -0.7218935591 2.9657356965 -0.2781974638 O 0.6989894017 -1.6374047628 3.1005330233 H 0.4692103681 -2.4817526547 2.6966933037 O -3.1215355345 0.3754123979 1.7973347272 H -3.3372852024 0.8718004941 0.9690096911 H -3.5345304132 -0.4861074886 1.6819363874 O -3.5925843485 1.7129920790 -0.4779573570 H -4.2241630308 2.4136320006 -0.2907142314 H -2.7536878029 2.1835841193 -0.6920877132 O 0.5077239727 2.5265715328 1.0359027811 H 0.1440178441 1.6483910027 1.2879283894 H 0.6240842359 3.0147570444 1.8569283780 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF116/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 CONF116 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF116/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 CONF116 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF116/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 9Agua-BF3 CONF116 water 0 1