%chk=/home/apulgar/almacen/pesticidas/unknown_mode_of_action/flusulfamide/gaussian/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization flusulfamide CONF8 water 0 1 Cl -2.3671324683 3.0809722347 -2.1074020500 Cl 0.4991205078 -1.5759400032 -2.2493071239 S -1.7003793870 -2.2749191126 1.0121178451 F 0.2001751649 3.2690787683 -0.5480594718 F -1.4430735433 3.7575919466 0.7543903371 F 0.1493969836 2.4960880864 1.4521925135 O -2.7411341627 -3.2111527595 0.6399580798 O -1.4289200202 -1.9800094451 2.4042931284 O 4.7248324703 0.6275032856 1.6846945518 O 4.7427955321 0.7774935211 -0.4452328350 N -0.2954871428 -2.8922657491 0.3457729125 N 4.2750852158 0.3715352251 0.5927491729 C -1.9464490872 -0.7407500529 0.1666234887 C -1.2592775237 0.3782475556 0.6127733860 C -1.3601789925 1.5684319872 -0.0887136562 C 0.8589219713 -2.0890302945 0.3884953863 C -2.7440455548 -0.6953596760 -0.9650039065 C -2.1758608412 1.6200484299 -1.2188477956 C -2.8644481482 0.4981111962 -1.6528380331 C 1.3319537194 -1.4243299165 -0.7482047360 C 1.5422617270 -1.9320223565 1.5893686093 C -0.6102690936 2.7777088213 0.3929684521 C 3.0977030088 -0.4800584768 0.5249956538 C 2.4597985240 -0.6298487859 -0.6941069999 C 2.6536065638 -1.1161516918 1.6720809772 H -0.6514042112 0.3280481765 1.5051361389 H -0.4812339529 -3.3457059262 -0.5461595336 H -3.2771488407 -1.5666529876 -1.3198976149 H -3.4937093434 0.5525147162 -2.5298045299 H 1.2080138201 -2.4650519687 2.4673835370 H 2.8120182361 -0.1277379121 -1.5838525025 H 3.1656381161 -1.0058518429 2.6164956063 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_mode_of_action/flusulfamide/gaussian/water/CONF8/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 CONF8 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_mode_of_action/flusulfamide/gaussian/water/CONF8/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 CONF8 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/unknown_mode_of_action/flusulfamide/gaussian/water/CONF8/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point flusulfamide CONF8 water 0 1