%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF138/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) opt freq Optimization 7H2O-solo/ CONF138 water 0 1 O -1.2815541661 2.1545341655 0.0484987878 H -0.4209782146 1.8934293944 -0.3677752465 H -1.6604429875 2.8003096417 -0.5554288787 H 2.6002167029 1.4912726191 1.6579965549 O -0.7360802171 -1.7803711588 0.1783435313 H -1.5265155650 -1.1867089303 0.0788479856 O -2.7415297568 -0.0753365925 -0.1579949765 H -2.9401739417 -0.1520012251 -1.0964058304 H -1.0859797337 -2.6729542340 0.2660146369 H -2.2388855734 0.7736765876 -0.0794726988 O 2.5410034358 0.7123677941 1.0966846586 H 1.9054550214 0.1198199704 1.5591225947 O 0.6041276420 -1.1385161817 -2.1305314920 H 1.4946749965 -1.4839239159 -2.0162862318 H 0.1219049252 -1.4508784861 -1.3372782902 O 0.7553309703 -0.9302785561 2.3098503292 H 1.2611266060 -1.6976976940 2.5937643030 H 0.2005841466 -1.2595664892 1.5708750560 O 1.0316088390 1.4254209830 -1.0752728223 H 0.8606098661 0.5654614175 -1.5074467116 H 1.6033846864 1.2000722310 -0.3092911421 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF138/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction 7H2O-solo/ CONF138 water 0 1 opt-b3lyp.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF138/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 7H2O-solo/ CONF138 water 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/7H2O/7H2O-solo/water/CONF138/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj scrf=(smd,Solvent=Water) geom=check guess=read Single Point 7H2O-solo/ CONF138 water 0 1