%chk=/home/apulgar/almacen/pesticidas/3_herbicides/ethalfluralin/gaussian/water/CONF18/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization ethalfluralin CONF18 water 0 1 F 4.1118635177 1.3743648414 -0.0295116396 F 4.1525722515 -0.6358100358 -0.7942338165 F 3.9628025997 -0.2905628807 1.3182457079 O -0.0573171068 -2.8753626777 -1.7206925085 O -0.4071070676 3.4432197346 0.7841768106 O -1.3789254869 -1.3765029128 -2.4746761881 O -1.4686676062 2.0202772037 1.9784798538 N -2.1217609731 0.2709536182 -0.2309239474 N -0.5200660649 -1.7596115860 -1.7157247907 N -0.6918711949 2.3145864542 1.1057380757 C -0.7487603103 0.2260665879 -0.2337028654 C -2.9276792041 -0.9236308213 -0.0240285417 C -2.7799619834 1.3502458680 -0.9720947340 C 0.0444717500 -0.7883790017 -0.7951352616 C -0.0043597376 1.2325811279 0.4088217889 C 2.0911736861 0.1827183754 -0.0226067847 C 1.4225077553 -0.8476187258 -0.6506824722 C 1.3686124327 1.2526351994 0.4884701128 C -2.3066664727 -1.9321069388 0.9020042847 C -3.9926594709 1.9487329682 -0.2855782912 C 3.5821901170 0.1562654320 0.1153169440 C -1.8574571880 -1.4478855295 2.2479410083 C -2.2530709666 -3.2152437821 0.5534375044 H -3.2323269018 -1.3949704633 -0.9641149779 H -3.8514296665 -0.5800546584 0.4514488158 H -2.0492177425 2.1332416012 -1.1751302422 H -3.0750763272 0.9650832701 -1.9554964545 H 1.9653138213 -1.6717469077 -1.0923274093 H 1.8640970362 2.0720603880 0.9938662184 H -4.8073869653 1.2331377486 -0.1780590783 H -3.7555762000 2.3470012110 0.6997248868 H -4.3690339114 2.7688546149 -0.8972571837 H -1.6597036406 -2.2848718575 2.9160337662 H -0.9413591342 -0.8575768079 2.1930413906 H -2.6163061034 -0.8129709162 2.7088345570 H -2.5978713619 -3.5603651951 -0.4136328686 H -1.8831274950 -3.9707103414 1.2358161493 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/3_herbicides/ethalfluralin/gaussian/water/CONF18/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction ethalfluralin CONF18 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/3_herbicides/ethalfluralin/gaussian/water/CONF18/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum ethalfluralin CONF18 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/3_herbicides/ethalfluralin/gaussian/water/CONF18/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point ethalfluralin CONF18 water 0 1