%chk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/gas/CONF4/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=GD3BJ opt freq Optimization 9Agua-solo CONF4 gas 0 1 O 0.8674435051 -2.2906376564 0.7173845709 H 0.8786238108 -1.5982414879 1.3998516562 H 1.2391952573 -1.8542558739 -0.0691781761 H -2.1400657886 -1.3629907795 -0.3421693010 H -0.6819459624 -2.6739159350 0.4003633286 H 1.2454610724 0.1679747793 3.1497441881 O -0.3860617654 0.5977675693 -2.2801906682 H -0.2649395077 1.4639038158 -1.8538329601 O 2.3293099035 1.3470506120 0.4671547200 H 1.7037477121 2.0114898996 0.1313359424 H -1.1621342480 0.2151156230 -1.8326280799 H 2.3502107750 0.6698597732 -0.2310831619 O -1.6303671667 -2.8072684943 0.1216031785 H -1.6088017681 -3.4844368741 -0.5564580197 O -2.3842847783 -0.4294070622 -0.6031362109 H -3.3273381718 -0.4288093797 -0.7754484253 O 0.8816683616 0.0901386016 2.2662420279 H 1.4939475996 0.5904152626 1.6584165817 O 0.0426810939 2.7191651184 -0.4799221817 H -0.1723319473 3.6520777579 -0.5235858659 H -0.5445151082 2.3150974121 0.2206550529 O 1.7285792235 -0.6723992217 -1.4201747269 H 0.9151556622 -0.2324430902 -1.8000728436 H 2.2658258456 -0.9487687003 -2.1642918816 O -1.4005321893 1.4308423423 1.2750774689 H -1.8447721816 0.7610832660 0.7251601629 H -0.7302267466 0.9436454818 1.7854884153 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/gas/CONF4/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read output=wfx Wavefunction 9Agua-solo CONF4 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/gas/CONF4/opt-b3lyp.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3bj geom=check guess=read td=(singlets,nstates=20) Electronic spectrum 9Agua-solo CONF4 gas 0 1 --Link1-- %oldchk=/home/lamsabhi/diver/Herbicidas/Calculos/BF3-H2O/9H2O/9Agua-solo/gas/CONF4/opt-b3lyp.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3bj geom=check guess=read Single Point 9Agua-solo CONF4 gas 0 1