%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF146/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 9Agua-BF3 CONF146 water 0 1 B 1.1552420407 -2.0510786224 -0.9190101051 F 1.4037973843 -2.1971746775 -2.2743204765 F 1.0399310763 -3.2868460428 -0.2947529405 F 2.1679982140 -1.3131310705 -0.3139244954 O -0.1709333121 -1.3528672173 -0.7727277241 H -0.3706076540 -0.9841641734 0.1890705053 H -0.3586700698 -0.5837191380 -1.4217232181 H -2.1314918124 2.7518483686 -0.2289480425 H 2.2160099855 1.3341349486 -1.6467181641 H 0.7946954010 -2.3243642945 3.4871662092 O -0.6728676889 0.6771256473 -2.2119942422 H 0.1431387459 1.2193832616 -2.0331872790 O -0.6113083867 -0.4189140923 1.4856303683 H -1.5727686489 -0.1529528261 1.5380343941 H -0.6972465630 0.5237062305 -3.1632484497 H -0.4462780958 -1.1466174271 2.1351015484 O 1.5151990059 1.9754658671 -1.4900324554 H 1.3615644035 1.9400845371 -0.5211231965 O -2.7110574785 2.0793919709 -0.6467600191 H -2.1177321148 1.5954676290 -1.2425517646 O -0.0213718562 -2.5333876539 3.0208413292 H 0.2542213910 -3.1365520825 2.3217975233 O -3.1028706052 0.4130718046 1.4273422936 H -3.2332377652 0.9886939015 2.1876911838 H -3.0104447353 1.0289774125 0.6578747862 O -0.9683511227 3.8533178273 0.5422852462 H -0.3205370697 3.1960302601 0.8623840625 H -0.5458776558 4.2397541924 -0.2305609102 O 0.8558120463 1.8599964150 1.1641483580 H 0.3804778629 1.0241315521 1.3613828008 H 1.5389559253 1.9469554703 1.8358157658 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF146/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 CONF146 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF146/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 CONF146 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF146/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 9Agua-BF3 CONF146 water 0 1