%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF111/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 9Agua-BF3 CONF111 water 0 1 B 0.5772222613 -1.7499149714 -0.6997710538 F 1.7146657707 -2.1503932661 -1.3831245683 F -0.4841958873 -2.6164132738 -0.9219792430 F 0.8483722715 -1.6808936897 0.6763231036 O 0.1740855625 -0.4049021855 -1.2221656544 H -0.5532035939 0.0896447799 -0.6351347653 H 0.9535737181 0.2417696681 -1.3902082975 H 0.5222682405 3.2507392076 0.2850599969 H 2.9648863787 0.0479322169 1.1022103779 H -3.3257519306 -1.6063817175 -0.0594802706 O 2.0984603689 1.2079028323 -1.5608424363 H 2.5290576051 1.1527284714 -0.6680174825 O -1.4811016770 0.7462440112 0.2027637934 H -1.8436774372 1.5269130854 -0.2923207313 H 2.7359388812 0.8456056614 -2.1868824309 H -2.2185029110 0.1117514434 0.4148947928 O 2.9597825995 0.9992650905 0.9538464564 H 2.1108596237 1.3025147873 1.3370986017 O 0.4920250524 3.7095669972 -0.5740347198 H 1.0193668555 3.1417157489 -1.1490171187 O -3.2664476388 -1.1198572240 0.7688690637 H -2.7141760443 -1.6921849601 1.3460621784 O -2.0882326632 2.9602374146 -1.1335505613 H -2.6470750783 3.5072881983 -0.5736227563 H -1.1807206421 3.3151086953 -0.9995406109 O -1.6034127046 -2.6629957533 2.3142389527 H -1.6813449860 -3.5375321076 1.9187319993 H -0.7565624559 -2.3371060393 1.9880626304 O 0.5044532001 1.9836454605 1.6829943036 H -0.2337573592 1.4596317512 1.3137885781 H 0.2319858920 2.2391006270 2.5697239412 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF111/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 CONF111 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF111/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 CONF111 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF111/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 9Agua-BF3 CONF111 water 0 1