%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF63/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq Optimization 7H2O-BF3/ CONF63 gas 0 1 O 0.4214965461 1.7188736194 1.5650213585 H 1.3364804932 1.2931000442 1.5016348734 H 0.3160090908 2.2265554790 0.6980320701 H 2.2556583458 -0.4461275525 0.9861065238 O 1.2568442114 -0.8235994859 -2.7592602092 H 1.5589124275 -1.6548003304 -2.3840126626 O -1.0219941689 -0.1901401060 1.3073323077 H -0.2933222689 0.8679370689 1.5033648872 H 0.3881226484 -0.6901956186 -2.3468030866 H -1.9487591740 -0.2056450421 1.6292529336 O 2.6207677777 0.4440104601 1.0517349799 H 2.7730062157 0.7154898011 0.1281238687 O -3.5951852506 -0.6691180286 2.0216671315 H -3.7122216836 -1.2428323872 1.2578271779 H -3.5360726605 -1.2667820695 2.7708203975 O 0.2398589766 2.6846642931 -0.8369318236 H 1.0535029958 2.3102972075 -1.2275781498 H -0.4721978964 2.1501238571 -1.2026847608 O 2.4770860255 1.2374565468 -1.6500348318 H 2.0899676854 0.4530726817 -2.1212593660 H 3.1653915922 1.5940022535 -2.2150187376 B -0.7844724355 -1.0341816177 0.1339929693 F -1.7427191071 -2.0280604284 0.0325673249 F -0.8344225612 -0.2349169697 -1.0545361436 F 0.5050412446 -1.5761893632 0.2207786781 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF63/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx Wavefunction 7H2O-BF3/ CONF63 gas 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF63/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20) Electronic spectrum 7H2O-BF3/ CONF63 gas 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF63/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read Single Point 7H2O-BF3/ CONF63 gas 0 1