%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization desmedipham CONF9 gas 0 1 O 1.2992897451 1.4707733507 0.4988130104 O -4.9038861621 -1.5778215927 0.2479611075 O 1.6236245439 -0.3757176546 -0.7741480502 O -5.2092833238 0.5865267705 -0.2870828196 N -3.1344045758 -0.2797011094 0.1717942187 N 3.3102348758 0.6056892733 0.4312027276 C -2.2821005861 0.8121588018 0.0071473208 C -0.0234028082 1.6204238365 0.1489402212 C -0.9373276844 0.5969604506 0.3106342644 C -2.6955333062 2.0668092731 -0.4388357418 C -0.4158529665 2.8696198657 -0.2991330317 C -1.7557576956 3.0745964374 -0.5804278876 C 4.4211994791 -0.2046933054 0.1766543393 C 4.3849149806 -1.3622002576 -0.5984010404 C 5.6288923016 0.1906028662 0.7528480490 C 2.0410968376 0.4683083633 -0.0329289028 C -4.4882781329 -0.3282826554 0.0124455337 C 5.5472565666 -2.0973823750 -0.7780317970 C 6.7787584205 -0.5537727278 0.5635026219 C 6.7467486919 -1.7072892573 -0.2051788871 C -6.3047460675 -1.8240530815 0.1228664863 C -6.5371463299 -3.2917696877 0.3910047268 H -0.6115692987 -0.3708048357 0.6695364108 H -3.7296171349 2.2580957956 -0.6710653982 H 0.3114925989 3.6611428442 -0.4159621162 H -2.0819870055 4.0459770048 -0.9271767334 H -2.6920202466 -1.1486816223 0.4230184427 H 3.4737301762 1.3968742581 1.0328926393 H 3.4675926165 -1.6891897970 -1.0595213453 H 5.6707818485 1.0906704123 1.3561772347 H 5.5050899427 -2.9943137729 -1.3819004716 H 7.7033215379 -0.2266911231 1.0201338684 H 7.6439612451 -2.2918920716 -0.3553101850 H -6.6440206609 -1.5521713457 -0.8790830520 H -6.8569800306 -1.2044224049 0.8330084443 H -6.2196318393 -3.5720537970 1.3948786522 H -6.0065085771 -3.9185490501 -0.3250034419 H -7.6005210687 -3.5131195815 0.3036542408 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction desmedipham CONF9 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 desmedipham CONF9 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point desmedipham CONF9 gas 0 1