%chk=/home/apulgar/almacen/pesticidas/unknown_mode_of_action/flusulfamide/gaussian/water/CONF5/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization flusulfamide CONF5 water 0 1 Cl -2.3641420817 3.2524292859 -1.6949555009 Cl 0.5012398371 -1.5635330399 -2.4566208794 S -1.6717481941 -2.3956076186 0.8479612929 F -1.5968970285 3.6673016726 1.2285886882 F -0.0392382784 2.3693160731 1.9298707947 F 0.1394207886 3.2982315817 0.0052517042 O -2.7085690652 -3.2969939168 0.3888027623 O -1.3926067490 -2.2439177073 2.2612305830 O 4.7607070746 0.5484587432 1.4959566256 O 4.7428191034 0.7757856795 -0.6261711344 N -0.2714449960 -2.9353108203 0.1060322451 N 4.2934224839 0.3302488867 0.4033742532 C -1.9318162674 -0.7815239396 0.1704380842 C -1.3113992385 0.3001031417 0.7765611725 C -1.4215166005 1.5581109647 0.2076098764 C 0.8724553291 -2.1222832485 0.1686752776 C -2.6740401162 -0.6337176426 -0.9900118222 C -2.1779600164 1.7107318180 -0.9542576190 C -2.8038759826 0.6253598288 -1.5462076817 C 1.3412093932 -1.4366491255 -0.9564831571 C 1.5593161627 -1.9840455604 1.3699904033 C -0.7278906498 2.7277086360 0.8460312284 C 3.1127444893 -0.5150596966 0.3251798464 C 2.4699021586 -0.6447324328 -0.8936122148 C 2.6697848324 -1.1686605409 1.4625829828 H -0.7449385216 0.1668019018 1.6872195964 H -0.4764523028 -3.3309637251 -0.8085746191 H -3.1559512919 -1.4754662252 -1.4681562523 H -3.3882662821 0.7590419426 -2.4454259148 H 1.2311037834 -2.5335424210 2.2396480154 H 2.8203464182 -0.1298099436 -1.7763443921 H 3.1840051174 -1.0741212685 2.4072286388 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_mode_of_action/flusulfamide/gaussian/water/CONF5/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction flusulfamide CONF5 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_mode_of_action/flusulfamide/gaussian/water/CONF5/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 flusulfamide CONF5 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_mode_of_action/flusulfamide/gaussian/water/CONF5/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point flusulfamide CONF5 water 0 1