%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Pyrifluquinazon CONF41 gas 0 1 F 3.4410306464 1.2558229296 1.2834300898 F 4.5101828026 -1.0821241949 0.5069751161 F 2.7073977343 -1.6623263524 -0.5057807078 F 2.6861007076 -1.2932953666 1.6181295139 F 3.0766697487 2.4760167251 -1.1494434470 F 3.0960948070 0.5569785230 -2.1296194377 F 4.7945385616 1.2005859192 -0.9796041950 O -4.7543958544 0.4946373706 0.3899274381 O -2.5320725228 3.8321820881 0.9655847527 N -3.0872643199 -0.2514817699 -0.9407172398 N -2.7818741245 1.6870395306 0.2918253330 N -3.7672422598 -1.3977736849 -1.3094860370 N -0.3874655230 -4.0002488448 -0.4885751017 C -0.8687982273 0.5961384198 -0.6416980151 C -1.8465347380 0.0442400285 -1.6292543632 C -1.3875555205 1.4226415874 0.3460255387 C 1.3411380724 0.8332578338 0.2792417348 C 2.8377598965 0.5980486222 0.2406157770 C 0.4806660848 0.2965297895 -0.6732103508 C -0.5466237998 1.9129450417 1.3353766232 C 0.8071972596 1.6245416941 1.2887331622 C -3.6390178401 0.6170914810 -0.0593913757 C 3.1980495669 -0.8880976110 0.4584235530 C 3.4688967148 1.2133433007 -1.0311550204 C -3.2744332384 2.9792588899 0.5569328912 C -3.7839286824 -2.4138190679 -0.2572810496 C -2.3828120480 -2.8076872693 0.1014905446 C -4.7224576543 3.2709072283 0.2616979129 C -1.7543115936 -2.3118935434 1.2346318674 C -1.6392461692 -3.6452297769 -0.7249415035 C -0.4413857120 -2.6702501060 1.4928505480 C 0.1948716195 -3.5199396526 0.6019138316 H -2.0136461451 0.7531604520 -2.4502683697 H -1.4861031714 -0.8834854724 -2.0668309658 H 0.8350275805 -0.3559626732 -1.4578586114 H -0.9237737766 2.5235644709 2.1388177997 H 1.4394495919 2.0371449047 2.0601895899 H -4.7123491426 -1.1539346468 -1.5804320572 H -4.3271305258 -3.2675576450 -0.6685643539 H -4.3231988628 -2.0891847571 0.6385006143 H -5.0554172855 2.8796730164 -0.6977961315 H -4.8381717333 4.3515105255 0.2646161408 H -5.3712796768 2.8456570054 1.0244596744 H -2.2881010637 -1.6534357342 1.9100214970 H -2.0905913977 -4.0496432968 -1.6267989117 H 0.0784986209 -2.2992044616 2.3645664443 H 1.2180118312 -3.8318005311 0.7755172049 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Pyrifluquinazon CONF41 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 Pyrifluquinazon CONF41 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Pyrifluquinazon CONF41 gas 0 1