%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF45/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq Optimization 7H2O-BF3/ CONF45 gas 0 1 O 0.1218516710 2.5284275686 1.0869943451 H 0.8560832925 1.8869908330 1.4056671887 H 0.2699220998 2.6031707018 0.0717491275 H 2.2348364381 0.5824505915 0.7430819645 O 2.5572317650 0.5472626483 -1.0364383289 H 2.3265471582 -0.3485665980 -1.4200862896 O -1.8636033836 1.0580148091 1.1584047133 H -0.7690331784 1.9826098484 1.1902890940 H 3.4376136956 0.7658223777 -1.3489907777 H -2.4582771045 1.0087536025 1.9098125115 O 1.8240935332 0.7092156440 1.6225320880 H 1.2243411559 -0.0402977347 1.7281055782 O -0.0510868785 -3.0044452867 -0.6942621023 H -0.2067786686 -2.4671935491 0.0954062960 H -0.8840300102 -2.9565411446 -1.1706615480 O 0.5179758479 2.3731200145 -1.4189501050 H 1.2882949481 1.7682697228 -1.4384646579 H -0.2264477615 1.8210610791 -1.6863454993 O 1.9247235124 -1.7764757021 -2.0043158316 H 1.1522040735 -2.2013850191 -1.5568716002 H 2.6041658692 -2.4521373427 -2.0347174335 B -1.6545961757 -0.2412016169 0.5062158906 F -0.6144599704 -0.9617184618 1.1970708353 F -2.7964459234 -1.0075052133 0.5198815958 F -1.2041631953 -0.0056272806 -0.7951023092 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF45/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx Wavefunction 7H2O-BF3/ CONF45 gas 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF45/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20) Electronic spectrum 7H2O-BF3/ CONF45 gas 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF45/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read Single Point 7H2O-BF3/ CONF45 gas 0 1