%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Imiprothrin_RR CONF290 gas 0 1 O 0.1556730740 0.6907612448 0.0763555637 O -0.9227230506 2.6380898139 0.2235401597 O 2.1782559837 -0.0162003964 -2.5515933365 O 3.0405675756 0.2874631531 1.9152752681 N 2.3934217525 0.4274030024 -0.3038350527 N 3.9602535145 -1.0267251639 0.2601274232 C -3.0869617773 0.7793252033 1.6004932372 C -3.5131129947 1.1741774097 0.2280418615 C -2.1348874456 0.5811464464 0.4306559367 C -3.6381427999 -0.4912655344 2.2017104487 C -2.8254872583 1.8576388558 2.6232622744 C -4.5489331351 0.4244144761 -0.5284739571 C -0.9459430498 1.4346099522 0.2420835765 C -4.5409583282 0.2207120237 -1.8467197152 C -5.6488840304 -0.5242293233 -2.5280837962 C -3.4515231652 0.7120857632 -2.7504264765 C 1.3640922453 1.3981583544 -0.1491987780 C 2.6731649554 -0.2268274689 -1.4812879490 C 3.1297016882 -0.0801252794 0.7755335532 C 3.7358588425 -1.2524534246 -1.1404398949 C 4.7832667664 -1.8760376291 1.0786288447 C 4.3199485919 -3.2616122458 1.0821147935 C 3.9374243191 -4.3978448485 1.0538528296 H -3.4953462630 2.2467368683 0.0482226589 H -2.0008891888 -0.4486957192 0.1199013705 H -3.8013884478 -1.2695634990 1.4563012030 H -2.9519016123 -0.8880207678 2.9515410875 H -4.5925449597 -0.3000997733 2.6967397905 H -2.4662131118 2.7829009306 2.1793288273 H -3.7484814820 2.0839787459 3.1602508830 H -2.0893929211 1.5284196861 3.3590338697 H -5.3896642535 0.0446171972 0.0455039751 H -6.4004403904 -0.8772608503 -1.8229013185 H -6.1502407423 0.1076090980 -3.2652858189 H -5.2633967185 -1.3901745132 -3.0720118037 H -2.9388009495 -0.1243323111 -3.2322140125 H -3.8672340666 1.3238303424 -3.5545875878 H -2.7040233917 1.3097538066 -2.2342573097 H 1.2983804078 1.9990679496 -1.0563650739 H 1.6054033041 2.0423459226 0.6956809596 H 3.3652604177 -2.2613344153 -1.3480892150 H 4.6329008335 -1.0904893615 -1.7447664216 H 4.7758929964 -1.4737279763 2.0925647597 H 5.8195755452 -1.8403740244 0.7297555335 H 3.5934887897 -5.4042539456 1.0429551255 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Imiprothrin_RR CONF290 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 Imiprothrin_RR CONF290 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Imiprothrin_RR CONF290 gas 0 1