%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Imiprothrin_RR CONF285 gas 0 1 O 0.1771376062 0.8929128173 -0.3519391461 O -1.1154370262 2.0616828318 -1.7444020749 O 3.3226237892 1.9831710574 0.5964339225 O 1.8899965003 -1.7113507634 -1.6576871885 N 2.3704615328 0.3469450771 -0.7125560633 N 3.6850262930 -1.3707251975 -0.2523338220 C -3.0282394372 2.1904625171 0.7428214855 C -3.4960304725 1.1331573081 -0.1973760831 C -2.0499644864 1.1322447268 0.2570685846 C -3.4104769247 2.0846627813 2.2004029143 C -2.9254309203 3.6154374094 0.2573450059 C -4.4224283746 0.0552067325 0.2357987242 C -0.9909558340 1.4336792777 -0.7251607470 C -4.3366290560 -1.2320766048 -0.1032615991 C -5.3422966604 -2.2323598406 0.3823838208 C -3.2596874063 -1.7902634541 -0.9822979997 C 1.2648450946 1.0686693324 -1.2450647647 C 3.2746714422 0.8575352166 0.1901034451 C 2.5710845274 -1.0192877340 -0.9512326517 C 4.1940715743 -0.2927236629 0.5486841198 C 4.1319427219 -2.7320334936 -0.1270942846 C 3.9425302560 -3.2569345665 1.2234779837 C 3.8010116524 -3.6631708419 2.3429249833 H -3.6245186018 1.4724626820 -1.2229347381 H -1.7791032029 0.3847095177 0.9936180241 H -4.3891426168 2.5368335984 2.3747358750 H -3.4575103227 1.0518286589 2.5453747898 H -2.6881543738 2.6125210647 2.8249825549 H -3.8717572846 4.1300368099 0.4345921195 H -2.1499452078 4.1585818711 0.8009539442 H -2.7032789509 3.6869183491 -0.8041719408 H -5.2541274452 0.3650924655 0.8627963929 H -6.0915616101 -1.7803856384 1.0311078354 H -5.8625644398 -2.7048036754 -0.4543805590 H -4.8563913173 -3.0372730208 0.9395341562 H -2.5850930751 -1.0311902478 -1.3700153132 H -2.6600073863 -2.5289230970 -0.4445322902 H -3.6964577011 -2.3118144078 -1.8373282134 H 1.0242427355 0.6782918049 -2.2335552290 H 1.5356275678 2.1212925614 -1.3276223110 H 5.2315399971 -0.0410395010 0.3108165949 H 4.1337863585 -0.5028103328 1.6212336414 H 5.1886280633 -2.8053926635 -0.4009172283 H 3.5755506050 -3.3345549894 -0.8462969820 H 3.6645030353 -4.0403260818 3.3280081688 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Imiprothrin_RR CONF285 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 CONF285 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 CONF285 gas 0 1