%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization imazethapyr CONF5 gas 0 1 O 3.2690576673 2.4621072744 0.1581528703 O -0.2919517396 -2.5066699903 0.9194329993 O -1.0570466031 -2.8336634203 -1.1594800830 N 1.2611521710 -0.4048576135 -0.4312278110 N 1.0937888760 1.7129681170 0.2726835069 N -1.6216655344 1.5240859669 0.3271764804 C 2.6104893119 0.1466881604 -0.4385998610 C 3.4957937194 -0.6839702103 0.5230843144 C 2.4413137053 1.5978837322 0.0333652663 C 3.1430427463 0.1346159198 -1.8702710626 C 4.9653156533 -0.2753356199 0.5000077415 C 2.9640474330 -0.6698952789 1.9537226169 C 0.4839640617 0.5119212774 -0.0230576956 C -0.9719252711 0.3870610400 0.1177894061 C -1.6298510364 -0.8345160299 -0.0137134923 C -3.7072284276 0.3592983269 0.2246814619 C -3.0152554569 -0.8252207423 0.0127247655 C -2.9399213184 1.5070813501 0.3931054543 C -5.2057793900 0.4147198472 0.2303639388 C -0.9395492945 -2.1484234704 -0.1851368496 C -5.7740539665 0.6078104621 -1.1745338773 H 3.4213616771 -1.7108055044 0.1479943919 H 2.4312372302 0.6005545603 -2.5513744101 H 4.0829071049 0.6782268387 -1.9443363349 H 3.2995728697 -0.8917086129 -2.2023451550 H 5.5331248953 -0.9174520287 1.1747315237 H 5.4111766644 -0.3779053421 -0.4886186410 H 5.1069176350 0.7541274181 0.8260180369 H 3.0369443473 0.3228184538 2.4030740795 H 3.5546721335 -1.3426519652 2.5768463747 H 1.9274702555 -0.9993080799 2.0114379057 H 0.6042202695 2.5452318814 0.5591935880 H -3.5594022194 -1.7541910358 -0.1134779102 H -3.4219310682 2.4605506194 0.5857033129 H -5.6057075035 -0.5033728402 0.6661003664 H -5.5390442223 1.2304228891 0.8758628779 H -5.4840290887 -0.2102343721 -1.8339396025 H -5.4121097158 1.5339540172 -1.6209848078 H -6.8627525439 0.6497193002 -1.1512029690 H 0.1783955986 -3.3329069123 0.7449464919 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction imazethapyr CONF5 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) Electronic spectrum imazethapyr CONF5 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point imazethapyr CONF5 gas 0 1