%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF152/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 9Agua-BF3 CONF152 water 0 1 B 0.0595488690 -1.6607582164 -0.5040113987 F 1.0994103471 -2.3118593349 -1.1539971889 F -1.1038895083 -2.4217261312 -0.5312899766 F 0.4182701969 -1.4206266802 0.8375204933 O -0.2118876089 -0.3817641640 -1.2153209603 H -1.1098816718 0.1067081126 -0.9489916688 H 0.5517188777 0.3329230513 -1.2596971985 H -0.3159740916 4.2589871614 -0.3120121038 H 3.0235246375 1.8321848848 1.2172976972 H 0.8362231294 1.1289395533 1.7197881364 O 1.4954287285 1.4293163735 -1.3796270204 H 2.2099441359 1.3658250379 -0.6956959510 O -2.3240038378 0.7531917301 -0.5968486321 H -2.3356027350 0.7179701127 0.3934004887 H 0.9626991139 2.2001058314 -1.1050195272 H -3.0331949537 0.1435812144 -0.9059120497 O 3.4201628651 1.3469929831 0.4858827922 H 3.4402976453 0.4134450540 0.7917238222 O -0.2545818885 3.2987274205 -0.2635763433 H -1.1306807224 2.9728369970 -0.4996280888 O 0.3121456951 1.8528627628 2.0785822974 H 0.1580029739 2.4349757112 1.3112620695 O -4.0936006310 -1.0983194000 -1.5357684790 H -4.0056958824 -1.0141939415 -2.4913632966 H -3.5733188901 -1.8811070137 -1.3231913086 O -2.1361073962 0.6242943308 2.0791269006 H -1.2610449569 1.0651814687 2.1598519572 H -1.9462384438 -0.3080187222 2.2264229522 O 3.3585874912 -1.2677995511 1.2841190083 H 3.6324319088 -1.7489817308 0.4957830024 H 2.4002690348 -1.3850109737 1.3033550671 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF152/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 CONF152 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF152/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 CONF152 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF152/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 9Agua-BF3 CONF152 water 0 1