%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF308/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 9Agua-BF3 CONF308 water 0 1 B 0.6498736441 -1.5115991164 0.6232504493 F -0.0698659071 -1.8771984254 1.7609834038 F 1.8760007228 -2.1551385520 0.5806524231 F -0.1107196110 -1.8316850519 -0.5125841901 O 0.9082248433 -0.0429920541 0.6897519722 H 0.0997544085 0.5712744228 0.5140627217 H 1.7573513345 0.3342224279 0.1848923426 H -1.6248548562 -0.8402605814 3.0318070539 H 1.0355335263 1.7903897046 -2.6344562923 H -1.7609594418 1.3375323957 3.0612652195 O 2.8691643766 0.8977602870 -0.4778935267 H 2.5414997055 1.0824878219 -1.4098044150 O -1.0621083354 1.4866508887 0.2988285540 H -1.8411053343 0.8944837324 0.2082504640 H 3.5314880051 0.2029924964 -0.5685028329 H -1.1695215863 1.8961726977 1.1965834741 O 1.8725751732 1.3230851276 -2.8477023267 H 1.6032576680 0.4050380984 -3.0545816060 O -2.4287979634 -0.3165336959 3.1161782821 H -2.8117664370 -0.3484382370 2.2229780892 O -1.3690710728 2.2157303362 2.8601404194 H -0.4740494773 2.1639607053 3.2110869610 O -3.1743017713 -0.2697074097 0.3530639606 H -4.0305197909 0.0062138275 0.0088847636 H -2.9571845901 -1.0786526505 -0.1231140867 O -0.4525066669 2.6313699084 -2.1804309014 H -0.6850360116 2.2936591491 -1.2955678502 H -0.1828401359 3.5422452034 -2.0275001538 O 1.1666065670 -1.3386906875 -3.2189548987 H 2.0032443937 -1.7829920558 -3.0444001282 H 0.6506177653 -1.4922155693 -2.4182030586 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF308/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 CONF308 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF308/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 CONF308 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-BF3/water/CONF308/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 9Agua-BF3 CONF308 water 0 1