%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF122/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 7H2O-solo/ CONF122 water 0 1 8 0 -1.571418 -1.329348 1.429458 1 0 -1.097254 -0.847829 2.118479 1 0 -0.923633 -1.439377 0.692605 1 0 -2.740523 -0.253560 0.608470 8 0 2.740778 -1.416488 -0.410543 1 0 2.872417 -0.500806 -0.071079 8 0 2.962772 1.175406 0.473233 1 0 2.014336 1.430042 0.555906 1 0 3.008936 -1.997049 0.312142 1 0 3.316675 1.735833 -0.228293 8 0 -3.285169 0.361244 0.064762 1 0 -3.955186 -0.196387 -0.349836 8 0 0.296467 1.762163 0.763514 1 0 -0.174578 1.513130 -0.060945 1 0 -0.021741 1.131275 1.421999 8 0 -1.104943 0.934289 -1.484649 1 0 -1.241611 1.480369 -2.268091 1 0 -1.989515 0.795647 -1.073531 8 0 -0.008090 -1.566876 -0.810969 1 0 -0.272202 -0.709104 -1.194264 1 0 0.960704 -1.505315 -0.662005 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF122/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction 7H2O-solo/ CONF122 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF122/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 7H2O-solo/ CONF122 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF122/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 7H2O-solo/ CONF122 water 0 1