%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF246/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 9Agua-BF3 CONF246 water 0 1 B 0.0825339659 -1.6466919366 0.1719646384 F 1.0274410103 -2.6580746354 0.2625350162 F -1.1636609199 -2.1015751361 0.6312157967 F 0.4773945443 -0.5549304532 0.9406109753 O -0.0754217937 -1.2706624395 -1.2647781857 H -0.6118297412 -0.3601432034 -1.4709305128 H 0.8035714968 -1.2176695287 -1.8018025090 H -2.3839922976 -0.6574690980 1.3938208518 H 3.5692196210 -0.9958217962 0.0184029584 H -0.3493518870 2.4328498088 0.6987520492 O 2.0755521106 -1.0675819601 -2.5774469146 H 2.7169006397 -0.7494066675 -1.8874059074 O -1.2152728750 0.8312663834 -1.8008405765 H -2.1636019982 0.8128999037 -1.5149298887 H 1.9477977018 -0.3170832385 -3.1686398713 H -0.7746306240 1.5179399022 -1.2459674874 O 3.6842090790 -0.2855609160 -0.6213106271 H 3.2822743697 0.5039098783 -0.1891472716 O -2.8890515357 0.1408086889 1.5989914343 H -3.5101696918 -0.1224318985 2.2867731288 O 0.0854233849 2.5637101943 -0.1823522800 H -0.0186199246 3.4988504722 -0.3881127634 O -1.0044209753 2.0866853799 2.2155232953 H -1.6788826996 1.3975766890 2.0534515508 H -0.2828234471 1.6201584089 2.6500998689 O -3.7615097968 0.7293969445 -0.9523761470 H -3.5751355199 0.5287716211 -0.0139338475 H -4.1056001767 -0.0945446850 -1.3115281143 O 2.6397652118 1.8780597420 0.6386621900 H 1.7682162792 2.1399187366 0.2782710102 H 2.4329564905 1.5153832551 1.5060527962 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF246/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 CONF246 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF246/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 CONF246 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF246/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 9Agua-BF3 CONF246 water 0 1