%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF29/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq Optimization 7H2O-BF3/ CONF29 gas 0 1 O 0.1805905423 1.9330221478 1.5390245586 H 0.8907234202 1.3843184144 2.0549961962 H 0.5141861880 2.0853891912 0.5841433565 H 2.0678626287 -0.2488522831 2.0659679824 O 2.2639282253 -0.1394577617 -1.5715220336 H 1.5590077802 -0.6355337391 -2.0659755173 O -1.8226051676 0.5273979536 1.1588572017 H -0.6900225269 1.3650214605 1.4392381031 H 3.0239481819 -0.0760581780 -2.1538126257 H -2.6994017669 0.8949890347 1.2886026103 O 1.9247455025 0.5345460218 2.6707790925 H 1.7039227701 0.1832682583 3.5360075095 O 2.0719773708 -1.4206458173 0.9529211632 H 1.1355646527 -1.6230043733 0.8308216891 H 2.3401630081 -1.0329546570 0.1030497361 O 0.8499468602 2.1174560794 -0.9106999394 H 1.4543243804 1.3819663717 -1.1477365071 H 0.0176954732 1.8966054609 -1.3429045541 O 0.2247871666 -1.3300819282 -2.7462079576 H 0.0952056430 -2.2317331842 -2.4419399821 H -0.5123429737 -0.8364858164 -2.3519723518 B -1.7918056200 -0.4750463654 0.0884229332 F -0.7118240919 -1.3372231111 0.3381521686 F -2.9788184878 -1.1587512264 0.0093089761 F -1.5324800417 0.1653585476 -1.1680324647 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF29/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx Wavefunction 7H2O-BF3/ CONF29 gas 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF29/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20) Electronic spectrum 7H2O-BF3/ CONF29 gas 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF29/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read Single Point 7H2O-BF3/ CONF29 gas 0 1