%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Prallethrin_RS CONF24 gas 0 1 O -0.0210139854 -0.7219215874 1.1188879282 O -1.2762317614 1.1282955781 1.0018173900 O 4.1171901358 -1.2878049705 3.0849011504 C -3.5513663507 -0.7379543327 0.0175059428 C -2.7657701860 -0.4895717703 -1.2319716568 C -2.0511814034 -0.9369836158 0.0470979358 C -4.2198320867 0.4010035155 0.7470330823 C -4.3593496186 -2.0144977753 0.0653788362 C -2.5743597394 0.8492571542 -1.8182268055 C -1.1205187494 -0.0412808872 0.7624718243 C -2.6894368062 1.1608221327 -3.1125291681 C 1.0159918186 -0.0371978631 1.8195514679 C -2.4665943352 2.5699833491 -3.5764852827 C -3.0436556412 0.2021790264 -4.2092119355 C 1.7234830413 -0.9957837270 2.7689610994 C 2.0929653759 0.4410885947 0.8733511837 C 3.3058360828 0.0300624409 1.2637916149 C 3.1989819610 -0.8189607633 2.4630370328 C 1.7617060109 1.2935665839 -0.2962433302 C 4.6357417665 0.3422544749 0.6441436556 C 4.7638194770 -0.1624049076 -0.7165543726 C 4.8601281009 -0.5727561675 -1.8398894945 H -2.8188047207 -1.2941791336 -1.9566172577 H -1.7192441676 -1.9684160748 0.0349070123 H -4.3587351907 0.1490640781 1.7997286839 H -3.6715964401 1.3357342644 0.7037831922 H -5.2076417689 0.5710895172 0.3155675727 H -4.5086847748 -2.3442392327 1.0950945949 H -5.3432305409 -1.8607117491 -0.3813152405 H -3.8748433478 -2.8286458132 -0.4755068435 H -2.3232117108 1.6508788973 -1.1347924032 H 0.5926042659 0.8194987323 2.3509819178 H 1.4386005875 -2.0296770095 2.5634533437 H 1.5145823742 -0.8047060318 3.8215518157 H -3.3603674360 2.9717358080 -4.0607346628 H -2.2026378183 3.2350987801 -2.7554421337 H -1.6645599273 2.6171635295 -4.3176441622 H -3.9535805238 0.5273160318 -4.7192493626 H -2.2571856279 0.1759074780 -4.9672975132 H -3.2094974541 -0.8177811289 -3.8708111386 H 1.1749213289 0.7328717329 -1.0271750028 H 2.6529025704 1.6544077901 -0.8046989968 H 1.1528964655 2.1466683926 0.0055000518 H 4.8066276312 1.4229338111 0.6438620186 H 5.4221377030 -0.0905268007 1.2674972710 H 4.9491178307 -0.9448412061 -2.8315606872 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Prallethrin_RS CONF24 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 Prallethrin_RS CONF24 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Prallethrin_RS CONF24 gas 0 1