%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/gas/CONF104/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq Optimization 9Agua-solo CONF104 gas 0 1 O 0.3525067290 -1.3447292884 -1.9307285696 H 0.1002700436 -0.4179237462 -2.0892795306 H -0.2852785545 -1.6754736297 -1.2747890711 H 0.8776519227 -0.9123263229 2.2105517679 H -0.3381959085 -2.0377956830 0.9694931689 H -1.0907091056 1.6240463792 -1.5880717272 O 0.4027170005 0.9225518652 2.2645363945 H 0.8943722419 1.2481455221 1.4586099260 O -2.4769782265 1.9019889489 -0.8377142467 H -3.2747268624 1.6041984162 -1.2774050455 H 0.6428832147 1.5048241372 2.9870329814 H -2.4238465317 1.3811434403 0.0112793784 O -1.1394124086 -2.0536469870 0.3731899598 H -1.5711781732 -2.8967960311 0.5216978832 O 1.0179974936 -1.8022511199 1.8426827187 H 1.7036151628 -1.6782512991 1.1640074714 O -0.1934372882 1.4176118124 -1.9771332106 H -0.0851622404 1.9899663904 -2.7387251604 O 2.4956060437 -1.0777929284 -0.4497041217 H 1.7388875179 -1.2350847379 -1.0812056814 H 3.2816576547 -1.4498265160 -0.8523437819 O -2.2036021033 0.4059670769 1.2962562806 H -1.3967616264 0.6879141342 1.7613429941 H -1.9913171867 -0.4886313403 0.9786243537 O 1.7096192201 1.5843593289 0.0944961843 H 2.1953097208 0.7653122738 -0.1010970998 H 1.0696265474 1.6632020125 -0.6357165966 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/gas/CONF104/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx Wavefunction 9Agua-solo CONF104 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/gas/CONF104/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20) Electronic spectrum 9Agua-solo CONF104 gas 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/gas/CONF104/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read Single Point 9Agua-solo CONF104 gas 0 1