%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF223/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 9Agua-BF3 CONF223 water 0 1 B -0.3051916798 -1.4854568801 1.1608469800 F -0.0065809815 -1.3026596522 2.5099622408 F 0.7772033027 -2.0648504406 0.5027245909 F -1.4346066899 -2.2866515600 1.0161024169 O -0.6313679929 -0.1438470619 0.5831275611 H -0.8685721239 -0.1400785211 -0.4337209243 H 0.0725901650 0.6109959124 0.7279353601 H 2.2552277597 0.9910368597 -0.2045908900 H 0.5359601544 2.5310939079 0.6133430055 H 1.4400125295 -1.3621339634 -2.7800854040 O -0.3963244978 3.7683397752 0.0658845812 H -1.0380247299 3.3281815522 -0.5391786061 O -1.1335755553 -0.0850828678 -1.8618716835 H -0.2295649489 -0.1969401305 -2.2688542796 H 0.1614409961 4.2972967476 -0.5132630359 H -1.6352046248 -0.9120066083 -2.0628813796 O 1.0289129714 1.6999490998 0.8604464106 H 1.2508792587 1.7311525378 1.8210997209 O 2.8719628425 0.5105046070 -0.7933295536 H 3.0805530038 -0.2957720969 -0.3105211973 O 1.3132517413 -0.4080176339 -2.8038768040 H 1.8882629453 -0.0655483641 -2.0785638026 O -2.4109328035 -2.4475610569 -2.1866110370 H -3.3582378605 -2.2845510165 -2.1268789744 H -2.1833953728 -2.8201432439 -1.3274441783 O -2.1507892227 2.5205650641 -1.5977082231 H -2.9480414645 2.3978176005 -1.0729692944 H -1.8221486097 1.6158742312 -1.7526057048 O 1.5733371123 1.3941354038 3.4858428080 H 2.5117937114 1.1808469007 3.5244280644 H 1.1368599791 0.5367071210 3.5452755968 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF223/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 CONF223 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF223/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 CONF223 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF223/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 9Agua-BF3 CONF223 water 0 1