%chk=/home/apulgar/almacen/pesticidas/G1_new2/Omethoate/gaussian/gas/CONF30/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Omethoate CONF30 gas 0 1 S 0.2103198568 -1.3369135423 -0.7067852284 P 0.9812541140 0.5818330641 -0.5950587137 O 1.6287161329 0.8135950911 -2.0302677016 O 2.2898501223 0.4026863964 0.3069011529 O 0.0155333296 1.6079983827 -0.1362774586 O -2.8002110499 -1.9827170709 0.9925529381 N -2.1321799298 0.1617549138 1.2536279876 C -1.5842983918 -0.9808561060 -0.8028382096 C -2.2358273300 -0.9946098850 0.5743199524 C 2.2340642893 2.0695628193 -2.3412396270 C 2.1472320995 0.2879475306 1.7194859459 C -2.6450720737 0.2931460578 2.5927466511 H -1.7471294388 -0.0465256113 -1.3381752898 H -2.0034881308 -1.7933538332 -1.3926859838 H -1.5544186198 0.8984147849 0.8715486063 H 2.4588826139 2.0532670032 -3.4044689465 H 3.1613233868 2.2067313485 -1.7842796817 H 1.5592568838 2.8999345212 -2.1319302785 H 3.1285578063 0.0422027179 2.1166469942 H 1.4493130353 -0.5090099876 1.9854606480 H 1.8038355513 1.2250107338 2.1574772226 H -2.0618300559 -0.2753772791 3.3206684226 H -3.6755339380 -0.0534977145 2.6494515944 H -2.6198201417 1.3430556927 2.8749227392 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1_new2/Omethoate/gaussian/gas/CONF30/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Omethoate CONF30 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1_new2/Omethoate/gaussian/gas/CONF30/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Omethoate CONF30 gas 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/G1_new2/Omethoate/gaussian/gas/CONF30/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Omethoate CONF30 gas 0 1