%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF10/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq Optimization 7H2O-BF3/ CONF10 gas 0 1 O 0.3692783296 2.3035384780 0.2060425870 H 0.7517494755 1.9428803852 1.1300567163 H 1.0746704274 2.1094242153 -0.4895881102 H 1.9059810279 0.6210515416 1.8628688252 O 2.7301909860 -0.4318894347 0.8444659103 H 2.1533369951 -1.1356985374 0.5055419842 O -1.4790154314 0.7564839867 -0.4964029622 H -0.4464635714 1.7167050854 -0.0460733979 H 2.9631182701 0.0887999563 0.0683280806 H -2.2993335223 1.1718250232 -0.7756221705 O 1.3124989225 1.3090401287 2.2673406625 H 0.5865955517 0.8073221574 2.6554978220 O 1.0156603019 -2.2988843744 -0.5631884001 H 1.1824929364 -3.2430163479 -0.5920812566 H 0.0781237582 -2.1907278358 -0.3228441333 O 2.1058369643 1.4784343862 -1.5098239767 H 2.5253050814 2.0443293247 -2.1611717814 H 1.5830031133 0.7819236320 -2.0050483210 O 0.6162048504 -0.3585108756 -2.5739120845 H -0.2710942442 -0.1411384783 -2.2614232023 H 0.8424761343 -1.1698002614 -2.0876232237 B -1.7768321343 -0.4126080336 0.3831156505 F -1.6205767848 -1.6011691163 -0.3743783985 F -0.8211121499 -0.4397320158 1.4019699332 F -3.0557093795 -0.3185274733 0.8747569432 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF10/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx Wavefunction 7H2O-BF3/ CONF10 gas 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF10/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20) Electronic spectrum 7H2O-BF3/ CONF10 gas 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-BF3/gas/CONF10/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read Single Point 7H2O-BF3/ CONF10 gas 0 1