%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF272/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 9Agua-BF3 CONF272 water 0 1 B 0.5511278336 -1.5960840677 0.4503279877 F 0.0933671179 -2.0373689211 1.6961241111 F 1.6923529148 -2.2935407988 0.0854094153 F -0.4644913762 -1.7801171283 -0.4963922546 O 0.9009555284 -0.1509926785 0.5583639493 H 0.1187377488 0.5193060697 0.4732364602 H 1.7152094721 0.2044166846 -0.0114372565 H -1.3867228964 -1.0335487666 2.8012333109 H 0.8278065331 1.9782345400 -2.6569001186 H -1.4658830271 1.2498724674 3.1946448392 O 2.7910738995 0.7501280572 -0.7608233424 H 2.3806350047 1.0577913250 -1.6234262894 O -0.9802710755 1.5184470690 0.3683390229 H -1.8035037061 0.9747605081 0.2983668724 H 3.3648164094 0.0130694502 -1.0024664923 H -1.0098282006 1.8876862697 1.2859455889 O 1.5955835839 1.4564334025 -2.9789033292 H 1.2411296040 0.5669693149 -3.1747371813 O -2.1385516534 -0.4852911431 3.0579730023 H -2.5754381990 -0.9719348358 3.7647927218 O -1.0719798004 2.1210670778 3.0038806879 H -0.1516164747 2.0272103809 3.2710989754 O -3.1444277596 -0.1155762906 0.4562099548 H -2.8229376359 -0.8841949510 -0.0266675323 H -2.9508118756 -0.3237123674 1.3894787658 O -0.4828241848 2.9414532243 -1.9786714263 H -0.6842074547 2.4894357142 -1.1372223880 H -0.0535479168 3.7606612543 -1.7125486256 O 0.8157169188 -1.2126037660 -3.2665400918 H 0.1902209356 -1.3257617610 -2.5431843820 H 1.6300838940 -1.5920576573 -2.9211057081 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF272/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 CONF272 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF272/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 CONF272 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF272/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 9Agua-BF3 CONF272 water 0 1