%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Pyridaben CONF31 water 0 1 Cl -1.6026967157 -2.7992835555 1.9790808831 S -0.2602918034 -3.2977242957 -0.9573606436 O -2.5729301423 -0.0988984694 2.2809454036 N -1.9855236801 0.6828186085 0.2057501700 N -1.5071497802 0.4689318868 -1.0103725500 C 2.9179737436 2.4599435492 -0.9374161286 C -2.3914414613 2.1031156775 0.5006403187 C 2.5759959861 1.0038793110 -0.6461026623 C 4.4273204125 2.5907235521 -1.1705496913 C 2.1670703976 2.9099208689 -2.1971492537 C 2.5203980112 3.3886170111 0.2083176023 C -2.1018432114 2.9778778464 -0.7152831832 C -1.5633280390 2.6395195576 1.6690600938 C -3.8910897478 2.1663227592 0.7861813353 C 2.7919288521 0.0292533127 -1.6271224803 C 2.0386264486 0.5788999655 0.5644595349 C 1.8666006463 -1.7013413206 -0.2231608829 C 2.4401818172 -1.2927777519 -1.4260726345 C 1.6906228221 -0.7514058929 0.7736220842 C -2.0923672137 -0.2945780170 1.1731248496 C 1.3384366579 -3.0867316849 -0.0525715882 C -1.0357148497 -1.8003447266 -0.4514199969 C -1.5656844765 -1.5927674276 0.7756260557 C -1.0607984597 -0.6938874268 -1.3398719589 H 4.9909443062 2.2953955071 -0.2836427967 H 4.7668624226 1.9730577631 -2.0032375398 H 4.6886867478 3.6256357324 -1.4009098746 H 1.0865863066 2.8179466539 -2.0667294462 H 2.3884700136 3.9564448061 -2.4157907038 H 2.4475164660 2.3274860708 -3.0755238511 H 3.0464185117 3.1533550277 1.1351052425 H 2.7681890980 4.4187364520 -0.0523760766 H 1.4476235388 3.3527357297 0.4101658637 H -2.6684827800 2.6806114363 -1.5958642581 H -1.0436555310 3.0014710973 -0.9749881340 H -2.3998357123 3.9944349409 -0.4584155028 H -0.4955832260 2.5542175835 1.4591234351 H -1.7707598749 2.1448884091 2.6134012271 H -1.7892283462 3.6982617870 1.7972538708 H -4.4640366867 1.7754929089 -0.0555550404 H -4.1772985365 3.2094703737 0.9222002827 H -4.1832514748 1.6277526745 1.6831717515 H 3.2317184415 0.3062506565 -2.5775091065 H 1.8624855739 1.2825187207 1.3667317204 H 2.5945529510 -2.0134661512 -2.2206399744 H 1.2576265996 -1.0424397180 1.7236381011 H 1.9908507316 -3.8400847466 -0.4953387107 H 1.1876392365 -3.3401325357 0.9955065569 H -0.6787741848 -0.7914460541 -2.3465135687 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx Wavefunction Pyridaben CONF31 water 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Pyridaben CONF31 water 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) geom=check guess=read Single Point Pyridaben CONF31 water 0 1