%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Empenthrin_EZ CONF57 gas 0 1 O -1.1135643031 -1.1565544589 -0.3834665729 O -0.3670241888 -0.0972164701 1.4475212006 C 1.7368639747 1.0141789544 -0.5991504276 C 2.3506361419 -0.0611149881 0.2466669230 C 1.0496048455 -0.3345355394 -0.4638366763 C 1.1707639775 2.2398517808 0.0750574363 C 2.3514167397 1.3069141363 -1.9463139865 C 3.5745627738 -0.7897078636 -0.1664750969 C -0.1905452834 -0.4933422642 0.3257274634 C 4.8048347874 -0.5485033403 0.2886098912 C 5.1230203036 0.5250666055 1.2843603928 C 5.9783611653 -1.3579244695 -0.1737809652 C -2.4145122282 -1.3058005875 0.2067254074 C -3.2669202174 -0.1051045757 -0.1357036414 C -2.9670261586 -2.5534493267 -0.3094194127 C -3.6579645008 0.0296993672 -1.5751802252 C -3.5721091784 0.7490780337 0.8404087947 C -4.3323805279 2.0305515676 0.7316392878 C -3.4579358378 -3.5713550142 -0.7096068166 C -3.4189278678 3.2363603471 0.9497555665 H 2.2363666095 0.0942775351 1.3154453398 H 1.0999446095 -0.9622898272 -1.3473306852 H 1.9468902135 3.0036237725 0.1543253508 H 0.3521180238 2.6651430617 -0.5096277124 H 0.7964733566 2.0401675671 1.0757362431 H 2.7207942347 0.4109516133 -2.4434382059 H 1.6235520139 1.7807957684 -2.6071655430 H 3.1973408712 1.9880164862 -1.8362404680 H 3.4467155602 -1.5864122464 -0.8939213492 H 5.5438063875 0.0973247701 2.1978690596 H 5.8788743642 1.2065056415 0.8862059599 H 4.2565759148 1.1219969831 1.5615894563 H 5.6910306279 -2.1191893804 -0.8980384744 H 6.7375061455 -0.7223301005 -0.6367064536 H 6.4640563672 -1.8612476868 0.6659929899 H -2.3185706532 -1.3892282698 1.2928369980 H -4.3456137983 -0.7648626678 -1.8706941634 H -4.1382956781 0.9816241317 -1.7880988203 H -2.7849379980 -0.0515618312 -2.2247835428 H -3.1932890260 0.5308330236 1.8352019312 H -5.1215250478 2.0379877819 1.4891274515 H -4.8376256525 2.1187256222 -0.2305984599 H -3.8846770053 -4.4780006627 -1.0652502099 H -2.6470334762 3.2831044881 0.1813331743 H -3.9827503754 4.1689560300 0.9207219894 H -2.9146685002 3.1818358643 1.9151067623 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Empenthrin_EZ CONF57 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 Empenthrin_EZ CONF57 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Empenthrin_EZ CONF57 gas 0 1