%chk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/imidazolinone/imazethapyr/water/CONF9/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization imazethapyr CONF9 water 0 1 O 3.3366090625 2.5568651396 -0.1060087129 O -0.1911250945 -2.2656177345 1.2568668807 O -0.8748692649 -2.8341219794 -0.7968784643 N 1.3038325560 -0.3183264479 -0.4981844923 N 1.1501052821 1.8483148395 0.0444382944 N -1.5999528305 1.6422775415 0.0704653027 C 2.6545475266 0.2218389309 -0.5307594907 C 3.5487938580 -0.4713396046 0.5256372989 C 2.4835258625 1.6950248673 -0.1744257747 C 3.2382923982 0.1191372356 -1.9374621622 C 3.0399466082 -0.2634128891 1.9492947180 C 3.7192993959 -1.9585468667 0.2412044373 C 0.5294144373 0.6285385972 -0.1476593149 C -0.9197534484 0.5029966991 0.0279417789 C -1.5411482892 -0.7410533900 0.1061344013 C -3.6481007805 0.4113666004 0.2128303890 C -2.9258231769 -0.7732936214 0.1775370518 C -2.9180478644 1.5949553680 0.1677493965 C -5.1450163286 0.4229250833 0.2507879063 C -0.8117646558 -2.0438621499 0.1114470641 C -5.7387404051 0.3821372544 -1.1552084438 H 4.5291264165 0.0095042300 0.4429596129 H 3.2404422875 -0.9129950377 -2.2820035146 H 2.6569109326 0.7065448287 -2.6489493753 H 4.2643462320 0.4865751928 -1.9505284459 H 2.0544513507 -0.7064778820 2.0986495839 H 3.7190963124 -0.7401234876 2.6570424002 H 2.9830032981 0.7893646857 2.2305805300 H 2.7621167693 -2.4815182059 0.2587034984 H 4.3527852577 -2.4099653590 1.0059562964 H 4.1925438748 -2.1504650432 -0.7213054190 H 0.6800262793 2.7061186076 0.2972198231 H -3.4450604614 -1.7232209800 0.2302622077 H -3.4304677986 2.5496387391 0.2122693346 H -5.5017227714 -0.4339374649 0.8247351829 H -5.4901918223 1.3198390833 0.7682720110 H -5.4234210708 -0.5139201066 -1.6910216580 H -5.4275527218 1.2486156203 -1.7398360743 H -6.8279239717 0.3805274282 -1.1127339561 H 0.2706230983 -3.1196521324 1.2325205523 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/imidazolinone/imazethapyr/water/CONF9/opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction imazethapyr CONF9 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/imidazolinone/imazethapyr/water/CONF9/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 imazethapyr CONF9 water 0 1 --Link1-- %oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/herbicidas/imidazolinone/imazethapyr/water/CONF9/opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point imazethapyr CONF9 water 0 1