%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF101/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 7H2O-solo/ CONF101 water 0 1 O -1.5204897631 1.2777172493 0.7746210012 H -0.7256318452 0.9845790299 1.2772109293 H -1.8029262493 0.4686803278 0.3247114091 H 0.8224525253 -0.1790546885 -2.8327567030 O -0.4249746764 2.3846178243 -1.4405463700 H -1.1551201472 2.4994933375 -2.0569592938 O -1.4663366019 -1.3345322481 -0.6459431389 H -0.7409424046 -0.9583263012 -1.1872165813 H -0.8515004590 2.0766579581 -0.6052446615 H -1.9901603969 -1.8732341828 -1.2464974157 O 0.6045560552 -0.0431745311 -1.9050830316 H 0.2551469916 0.8808247635 -1.8356089232 O 2.5491270314 0.1007933215 0.0369593197 H 2.9486596905 0.9672014078 -0.0858057876 H 1.9229030316 0.0122852800 -0.7099340296 O -0.2353811606 -2.3767391797 1.5794323602 H -0.7032827684 -2.0911875429 0.7677606598 H 0.5991628312 -2.7302626909 1.2568723345 O 0.6582448031 0.2486177448 2.0742993764 H 0.3371982373 -0.6730330615 2.0344332801 H 1.3577710879 0.2676263166 1.3895944448 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF101/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/ CONF101 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF101/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/ CONF101 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF101/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 7H2O-solo/ CONF101 water 0 1