%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF28/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq Optimization 7H2O-BF3/ CONF28 gas 0 1 O 0.3579535449 2.1623450868 1.1437182478 H 0.9737196309 1.4008280335 1.4481063892 H 0.7427042220 2.5689943077 0.2733758586 H 2.0713449042 -0.3057592639 0.9953665811 O 1.0945124657 0.6797133208 -2.2387710885 H 0.2066054486 0.3549384459 -2.0395911023 O -1.7678479317 0.9935138195 0.6030236979 H -0.5605243895 1.7162569834 0.9322334797 H 1.6821215181 0.0569595823 -1.7782582500 H -2.5428032258 1.2258721217 1.1194502859 O 1.7102244987 0.1155468083 1.8038837894 H 0.9984477179 -0.4726383425 2.0796712204 O 0.5159489471 -3.0445717105 -0.4110753246 H -0.0120436037 -3.0330356467 -1.2140262807 H -0.0596391538 -2.6227448665 0.2443081912 O 1.3143565324 2.9693978188 -1.0226822816 H 1.2716066796 2.1435071207 -1.5852239692 H 0.8490899256 3.6622315509 -1.4958721443 O 2.3874742104 -1.1733766659 -0.5327144883 H 3.2591862294 -1.5575263140 -0.6477962068 H 1.7388297656 -1.9257505453 -0.5336448311 B -1.7735051626 -0.4288821024 0.2375491495 F -0.9115540487 -1.1558958671 1.1208834039 F -3.0390428723 -0.9561448947 0.3127185480 F -1.2386623582 -0.5583623270 -1.0586214272 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF28/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx Wavefunction 7H2O-BF3/ CONF28 gas 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF28/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20) Electronic spectrum 7H2O-BF3/ CONF28 gas 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF28/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read Single Point 7H2O-BF3/ CONF28 gas 0 1