%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF23/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq Optimization 7H2O-BF3/ CONF23 gas 0 1 O 0.8645023449 1.6530894555 1.2599625603 H 1.4427290681 0.8456069410 1.5708769374 H 1.1831489388 1.9277683257 0.3104315887 H 1.5176137637 -1.1283504097 2.0295975025 O -0.6256552535 1.8525726172 -2.6459102551 H -1.2768066652 1.3191639517 -2.1697634409 O -1.3362018949 0.4960776220 0.8965131065 H -0.0773550141 1.2699017195 1.1466366867 H -0.4779709832 1.3831615422 -3.4689642864 H -2.1847430448 0.8601702447 1.1566612448 O 2.1692142543 -0.4088259669 1.8624350168 H 2.6072970109 -0.6432091869 1.0309208397 O 0.2706003413 -2.3308468044 2.2556998585 H -0.2164778673 -2.1609175874 3.0645544826 H -0.3978344537 -2.3018497768 1.5588023450 O 1.6015540764 2.1428307121 -1.0962228825 H 2.1464420503 1.3743801666 -1.3160364578 H 0.8135061277 2.0924058420 -1.6849307971 O 2.5569546041 -0.6453126267 -1.0010975701 H 1.6126578839 -0.8594008421 -1.0063434711 H 2.9904101336 -1.2955128533 -1.5563191139 B -1.4509537245 -0.5123450787 -0.1553620810 F -1.9315046305 -1.7206106400 0.3506413899 F -2.2787815081 -0.0556503426 -1.1879032221 F -0.1528582140 -0.7309165986 -0.6742749856 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF23/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx Wavefunction 7H2O-BF3/ CONF23 gas 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF23/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20) Electronic spectrum 7H2O-BF3/ CONF23 gas 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF23/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read Single Point 7H2O-BF3/ CONF23 gas 0 1