%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF114/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 6Agua-BF3 CONF114 water 0 1 B 0.8118584601 0.5729640971 0.1386587219 F -0.2825022741 0.8477862150 0.9514984955 F 0.9754821731 1.5913346305 -0.8033366349 F 1.9606236898 0.4381572499 0.9073285790 O 0.6085754767 -0.7084747946 -0.6157904910 H 0.5049960448 -1.5567917374 -0.0275297634 H -0.1600670738 -0.7160789934 -1.3196020692 H -2.4920732179 1.7663811972 -1.2196090246 H -0.6524085594 2.8596234407 -1.3425307326 H 1.9734101621 -2.3469698624 3.4243117093 O -1.2614040866 -0.7594947736 -2.2796770366 H -1.6427123112 -1.6441040618 -2.2387039555 O 0.3680261008 -2.7733473319 0.7964423194 H -0.4522001331 -2.6836920564 1.2949530251 H -1.9444095045 -0.1599146221 -1.8756685743 H 1.0879154784 -2.7127818049 1.4724589996 O -1.5369454595 3.2254748628 -1.4620297057 H -1.6803859330 3.7543785340 -0.6702242302 O -2.9455868118 0.9075076312 -1.0714586171 H -2.7549758729 0.7004365379 -0.1506884398 O 2.3736306770 -2.4421111423 2.5534039194 H 2.6222651195 -1.5433483826 2.3101644923 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF114/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction 6Agua-BF3 CONF114 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF114/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 6Agua-BF3 CONF114 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF114/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 6Agua-BF3 CONF114 water 0 1