%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF252/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 9Agua-BF3 CONF252 water 0 1 B -0.8162767252 -1.9018601943 -0.7120759569 F -2.1235108595 -1.6521693170 -1.1187569095 F -0.6759063857 -1.5511208131 0.6427041293 F -0.4984991273 -3.2435577085 -0.8755552365 O 0.0960026227 -1.0978896411 -1.5740256246 H 1.1112945620 -1.2720986620 -1.4680589271 H -0.0749479941 -0.0511444032 -1.6673454271 H 0.9871090214 0.8910244212 2.3511293766 H -3.1919305191 0.6596587497 -1.1331616330 H 2.7438300213 -0.0572254463 1.3250464657 O -0.2820765272 1.3178013758 -1.8629721185 H -1.1952584005 1.4972904961 -1.5557726306 O 2.5652588783 -1.4993822146 -1.3763131856 H 2.6918496523 -2.4310416957 -1.1652494114 H 0.3153199417 1.8366927444 -1.2647148543 H 2.9272855056 -1.0010310757 -0.5944459983 O -2.8435783379 1.5254379540 -0.8921300855 H -3.4678639726 2.1598855356 -1.2604589575 O 1.3962442518 0.0016488220 2.3689549506 H 0.7634659909 -0.5588818317 1.9066467644 O 3.5105218478 -0.1979092911 0.7200903739 H 3.8082736880 0.6822091903 0.4725043135 O 1.3532671328 2.7084914752 -0.2625016565 H 2.0971123403 2.1087639941 -0.1477127221 H 0.9011573788 2.6969087397 0.6074636422 O -2.2891519234 1.2855566506 1.8222586223 H -2.5437249243 1.4305825328 0.8909527897 H -2.0147241322 0.3628111263 1.8484346545 O 0.1105688715 2.4187858772 2.1333731520 H -0.8124837874 2.0736359090 2.0396086051 H 0.0982277402 3.0446602337 2.8645026894 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF252/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 CONF252 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF252/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 CONF252 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF252/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 9Agua-BF3 CONF252 water 0 1