%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Lambdacyhalothrin CONF402 gas 0 1 Cl -3.1348448947 1.5664369902 -2.6649188682 F -1.5552904963 -0.5695420692 -3.9429193499 F -2.4755302485 -1.4421000414 -2.2082191380 F -0.3506964817 -1.1015027552 -2.2396387790 O 1.6345501322 1.6221937269 0.2315673236 O 2.4618272605 3.6872834475 0.0523724375 O 0.6944888638 -3.3126240571 0.6982377102 N 3.9294568225 1.2108484516 2.6666767643 C -1.0180059563 2.9088056966 0.9322538450 C -1.0675292627 2.6543365600 -0.5503028817 C 0.1092112023 3.4148814466 0.0613686034 C -1.9400609450 3.9849160908 1.4594078510 C -0.8454219353 1.7697458655 1.9097417408 C -0.9288386434 1.3129611114 -1.1277900410 C 1.5164319741 2.9554052652 0.1130642918 C -1.7368142556 0.7788631604 -2.0362110460 C 2.9281081727 1.0378276150 0.2562138941 C -1.5243206767 -0.5900752929 -2.6120373040 C 2.7572152364 -0.4046403623 -0.1509941018 C 3.4881190161 1.1503475657 1.6079958049 C 1.8265544090 -1.1866306400 0.5270001162 C 3.4783052842 -0.9237947142 -1.2103992947 C 1.6021945487 -2.4911279429 0.1175321514 C 3.2642250693 -2.2434424212 -1.5939793699 C 2.3302105108 -3.0246474550 -0.9447330941 C -0.1469551294 -2.7985458954 1.6538779038 C -1.3623472761 -2.2539629935 1.2684105690 C 0.2194633961 -2.8534659233 2.9892992748 C -2.2235988877 -1.7651025611 2.2394876705 C -0.6480972670 -2.3566300229 3.9510492528 C -1.8681776901 -1.8103552888 3.5798725883 H -1.7417332044 3.3010229342 -1.1004497144 H 0.0851873364 4.4805885023 -0.1330039401 H -2.0683336901 4.8027922349 0.7498807965 H -2.9272232728 3.5729641322 1.6731070883 H -1.5460314231 4.4078973534 2.3848245517 H -0.2973508181 2.0998994339 2.7932257008 H -1.8282209949 1.4320822740 2.2404967142 H -0.3377219775 0.8994630939 1.5073780868 H -0.1021872805 0.6979377871 -0.8060081277 H 3.6026071871 1.5544032471 -0.4329331580 H 1.2843236365 -0.7752909058 1.3687035722 H 4.1969799995 -0.3122075314 -1.7401825620 H 3.8238034319 -2.6602325567 -2.4203011018 H 2.1488236535 -4.0457215707 -1.2529814182 H -1.6372257032 -2.2278403193 0.2228598536 H 1.1718676693 -3.2838942436 3.2703441517 H -3.1774319243 -1.3490124671 1.9432979584 H -0.3668192834 -2.3980902890 4.9947746360 H -2.5426712870 -1.4284093619 4.3342581342 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Lambdacyhalothrin CONF402 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 Lambdacyhalothrin CONF402 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Lambdacyhalothrin CONF402 gas 0 1