%chk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/imidazolinone/imazamethabenz_methyl_m/octanol/CONF22/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq Optimization imazamethabenz_methyl_m CONF22 octanol 0 1 O -3.6848957211 -1.6424040496 1.0273290786 O 1.6111022593 1.5383690290 -1.7265869409 O 0.9829784635 2.2245908044 0.3087251534 N -1.0006534372 0.0551640851 -0.5381782424 N -1.3858227346 -1.5607227966 0.9565861391 C -2.4439574553 -0.0799352343 -0.4299675820 C -3.1100440574 1.2267753856 0.0631969624 C -2.6471789591 -1.1834710161 0.6037152748 C -3.0152332353 -0.5533056243 -1.7668208417 C -2.6131648144 1.6513030012 1.4415660938 C -2.9408048528 2.3715894635 -0.9272735939 C -0.4719656904 -0.7887742504 0.2551078149 C 0.9713480381 -0.9747513238 0.4204654551 C 1.8629688069 0.0265850472 0.0212605877 C 1.4926785659 -2.1648662303 0.9170051186 C 3.2288324140 -0.1792041706 0.1106704873 C 3.7526177938 -1.3708770792 0.6106890857 C 2.8615763288 -2.3569783453 1.0151477235 C 1.4016511289 1.3745142928 -0.4336683260 C 5.2343033607 -1.5705337558 0.6843207798 C 1.2620368183 2.8022774963 -2.2921295331 H -4.1786935559 0.9998813555 0.1428760991 H -2.7533480081 0.1379001015 -2.5660101760 H -2.6202417932 -1.5338546385 -2.0371344921 H -4.1020828318 -0.6264061849 -1.7164544251 H -3.1497783597 2.5424792449 1.7707799066 H -2.7738761415 0.8892881747 2.2065693237 H -1.5512533357 1.9003376181 1.4309876154 H -3.4440295242 3.2639919500 -0.5511037574 H -3.3717255461 2.1514198379 -1.9041081579 H -1.8891695285 2.6260228255 -1.0701554177 H -1.1734189685 -2.2423646717 1.6713446321 H 0.8368683803 -2.9726660259 1.2154122776 H 3.9080643118 0.6054604244 -0.2034120691 H 3.2377344104 -3.2943684650 1.4054027410 H 5.4923235698 -2.4721590408 1.2378330163 H 5.6646167329 -1.6604197205 -0.3151999792 H 5.7251780469 -0.7248723136 1.1674013275 H 1.8111210287 3.6162008345 -1.8215964018 H 0.1910306199 2.9876449645 -2.2100294897 H 1.5356181936 2.7443909399 -3.3416121712 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/imidazolinone/imazamethabenz_methyl_m/octanol/CONF22/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx Wavefunction imazamethabenz_methyl_m CONF22 octanol 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/imidazolinone/imazamethabenz_methyl_m/octanol/CONF22/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum imazamethabenz_methyl_m CONF22 octanol 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/imidazolinone/imazamethabenz_methyl_m/octanol/CONF22/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read Single Point imazamethabenz_methyl_m CONF22 octanol 0 1