%chk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sulfonylurea/metsulfuron-methyl/gas/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization metsulfuron-methyl CONF1 gas 0 1 S -1.5550016103 0.4057623259 1.4933330267 O -1.9503130769 1.3912234357 2.4655462674 O -1.4750604622 -0.9979905465 1.8376488883 O -2.5369205373 -2.7622516935 -0.9004048037 O -0.6411457655 -1.5772290862 -0.9441650646 O -0.4434052525 2.9281777990 0.3259954710 O 3.3939786680 -2.0851128628 0.6402742585 N -0.0279605796 0.7693079689 0.9241923058 N 1.6157603929 2.0953514242 -0.0561601795 N 3.7638930262 1.6389637540 -0.6430312012 N 2.4397751869 -0.0449489772 0.3299292604 N 4.6631736900 -0.5068336087 -0.2830469927 C -2.6116027509 0.5809202902 0.0721858445 C -2.7334289256 -0.4433254902 -0.8664923067 C -3.3912988199 1.7226889416 -0.0104233700 C -3.6687934069 -0.3051364014 -1.8829630209 C -4.2994653169 1.8571128647 -1.0490128704 C -4.4410027737 0.8427122964 -1.9796910260 C -1.8384237988 -1.6399735511 -0.8822852027 C 0.3054986468 1.9896311479 0.4058574124 C 2.6351677148 1.1885817283 -0.1187662903 C 4.7475562647 0.7460452082 -0.7003869528 C 3.4878548704 -0.8477734428 0.2223108743 C -1.7970641362 -3.9776343474 -0.9285445703 C 6.0515706578 1.2050455516 -1.2578681914 C 2.1543768770 -2.5395500019 1.1715077730 H -3.2912364570 2.4994954140 0.7331077567 H 0.6385485474 -0.0014867409 0.8290005949 H -3.7887507948 -1.0944952739 -2.6126648836 H -4.9013118845 2.7525439563 -1.1199477399 H -5.1573065246 0.9383746650 -2.7845108880 H 1.8417770421 3.0064003901 -0.4282193780 H 6.6055672060 1.7442239950 -0.4869345108 H 5.8966245734 1.8941087824 -2.0853010831 H 6.6545282546 0.3600465381 -1.5782589194 H -1.1815104720 -4.0810069488 -0.0348652571 H -1.1582130845 -4.0416234636 -1.8094886150 H -2.5347191362 -4.7743055356 -0.9534284086 H 1.8568964893 -1.9700133266 2.0528564232 H 1.3572576386 -2.4899066966 0.4300232891 H 2.3240896350 -3.5739130242 1.4570284969 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sulfonylurea/metsulfuron-methyl/gas/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction metsulfuron-methyl CONF1 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sulfonylurea/metsulfuron-methyl/gas/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) Electronic spectrum metsulfuron-methyl CONF1 gas 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/2_grupo/sulfonylurea/metsulfuron-methyl/gas/CONF1/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point metsulfuron-methyl CONF1 gas 0 1