%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF113/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 6Agua-BF3 CONF113 water 0 1 B 1.7966462538 0.0290870217 -0.0047730579 F 2.6098459223 -0.7512283663 0.8064016402 F 1.6078825124 1.2934571350 0.5475263475 F 2.3484252778 0.1395922918 -1.2753946080 O 0.4494223368 -0.6338532306 -0.1335113668 H 0.3500908481 -1.6139961649 0.1972480311 H -0.3705053452 -0.1231488116 0.2112361196 H -1.7678114514 2.0438693540 -1.7028682549 H 0.2511138637 2.5467573524 -1.0592700729 H -2.2662294831 -1.2406253655 1.4253996826 O -1.6877312027 0.4409174853 0.6992126349 H -2.1130456860 0.8907122630 -0.0851940682 O 0.0051790415 -2.9527463889 0.7014261552 H -0.8723097695 -2.7700728556 1.1245461757 H -1.5246602132 1.1348122615 1.3483585746 H 0.6034395068 -3.1511039840 1.4307743041 O -0.1431883742 2.6796625784 -1.9278814232 H 0.3225137790 2.0517132838 -2.4900925607 O -2.6204924410 1.6251189765 -1.4508347844 H -3.1871628686 2.3580139031 -1.1889327280 O -2.3539433122 -2.1643246208 1.7181553835 H -3.0442838565 -2.5310334555 1.1563555302 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF113/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction 6Agua-BF3 CONF113 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF113/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 6Agua-BF3 CONF113 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/6H2O/6Agua-BF3/water/CONF113/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 6Agua-BF3 CONF113 water 0 1