%chk=/home/apulgar/almacen/pesticidas/unknown_mode_of_action/flusulfamide/gaussian/water/CONF6/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization flusulfamide CONF6 water 0 1 Cl -2.3273349812 3.3250515168 -1.5550636691 Cl 0.3993083599 -1.6087567276 -2.5509269583 S -1.6378255587 -2.3783255501 0.8647788523 F -0.3784457814 2.4192812425 2.2803775868 F 0.0848636531 3.3687930921 0.4110470498 F -1.8161780037 3.7137049243 1.3549051223 O -2.7095754877 -3.2521138433 0.4317737460 O -1.3071619080 -2.2549545103 2.2700706765 O 4.8674512696 0.4689413286 1.1858979610 O 4.7336967815 0.7063633981 -0.9306462975 N -0.2827881218 -2.9363049275 0.0610770408 N 4.3355239957 0.2635805233 0.1209366969 C -1.8942564007 -0.7473713721 0.2244879535 C -1.3442340723 0.3322398277 0.8969649526 C -1.4768333978 1.6074808161 0.3700225130 C 0.8746709679 -2.1409516924 0.0632755647 C -2.5868401317 -0.5830935896 -0.9647713187 C -2.1595780766 1.7715708335 -0.8346328601 C -2.7195863095 0.6874437768 -1.4922057803 C 1.3005981879 -1.4713817845 -1.0882240532 C 1.6191859729 -2.0078800404 1.2300465912 C -0.8936765376 2.7811849799 1.1057674442 C 3.1420908957 -0.5672679665 0.1047349329 C 2.4404563312 -0.6931889668 -1.0818934334 C 2.7463196682 -1.2106388113 1.2650907636 H -0.8172239582 0.1826030624 1.8283600560 H -0.5311365713 -3.3552833921 -0.8315698731 H -3.0238667227 -1.4215933601 -1.4900075370 H -3.2560360185 0.8321172311 -2.4192879411 H 1.3248423563 -2.5502842284 2.1163088026 H 2.7550370060 -0.1862105349 -1.9826457104 H 3.3086839861 -1.1235617502 2.1827125893 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_mode_of_action/flusulfamide/gaussian/water/CONF6/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 CONF6 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_mode_of_action/flusulfamide/gaussian/water/CONF6/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 CONF6 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_mode_of_action/flusulfamide/gaussian/water/CONF6/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point flusulfamide CONF6 water 0 1