%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization fenpropimorph CONF22 water 0 1 O 0.2863865909 3.0631142198 -0.2394214672 N 1.9859811590 0.8723230242 0.3299675057 C 3.2075229457 0.0953934326 0.3115549785 C 3.0589020338 -1.3657713600 -0.1140607996 C 2.1778180627 2.1611155601 0.9645192462 C 1.4234122654 1.0711934127 -0.9898374311 C 0.8614708072 2.9176353863 1.0492596888 C 0.1048338614 1.8184371856 -0.8959306478 C 2.0775471396 -2.1642753093 0.7590111885 C 4.4380444487 -2.0178395697 -0.0662643197 C 1.0384924471 4.2960914496 1.6463056914 C -0.4938817971 2.0804494639 -2.2597470609 C 0.6139155605 -1.9215925792 0.5063909755 C -3.5986808210 -1.1166874120 -0.3223852577 C -2.1405366729 -1.4206140902 0.0014156547 C 0.0534181700 -2.1470975039 -0.7508995746 C -0.2405993172 -1.4848683039 1.5098750882 C -1.2869596270 -1.8979580530 -0.9975135508 C -1.5869134413 -1.2368237387 1.2651960116 C -4.3448451614 -0.5276152064 0.8734687386 C -4.3063293602 -2.4080084970 -0.7486996069 C -3.6602308390 -0.1002910823 -1.4692731209 H 3.6208447349 0.1074712256 1.3259157905 H 3.9694055228 0.5677640590 -0.3345996719 H 2.7175832629 -1.4097036404 -1.1534715400 H 2.9209172363 2.7797737329 0.4283348163 H 2.5594389861 2.0107079712 1.9775149061 H 1.2345895363 0.1091580304 -1.4657314728 H 2.1156118429 1.6276717519 -1.6490893437 H 0.1760668006 2.3366702403 1.6848496696 H -0.5939268105 1.2001461737 -0.3111783512 H 2.2796210333 -3.2280775914 0.5957017776 H 2.3039983919 -1.9743417175 1.8126306412 H 4.4039240247 -3.0401124974 -0.4451000919 H 4.8216904607 -2.0570625312 0.9560601787 H 5.1617339537 -1.4670661709 -0.6694095800 H 1.4407292549 4.2174700308 2.6563497826 H 1.7280030804 4.9020535249 1.0560113957 H 0.0868805863 4.8246676417 1.7117444366 H -1.4392742656 2.6185036056 -2.1818800424 H 0.1811848998 2.6625858497 -2.8897153643 H -0.6939199405 1.1346833993 -2.7644873924 H 0.6769853931 -2.5113688901 -1.5599415906 H 0.1538934830 -1.3088864909 2.5042669112 H -1.6697085240 -2.0789403037 -1.9951192660 H -2.1963689079 -0.8806939651 2.0850271350 H -3.8969414799 0.4068813116 1.2168289688 H -4.3804608895 -1.2155440115 1.7201565417 H -5.3759628201 -0.3096187827 0.5900801625 H -3.8436998264 -2.8563346077 -1.6294232118 H -5.3518489700 -2.2082179881 -0.9934028295 H -4.2883835284 -3.1502359920 0.0516358047 H -4.6982352820 0.1394001357 -1.7098669063 H -3.1933138533 -0.4777888475 -2.3798395422 H -3.1586302447 0.8315616707 -1.1987317048 --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 fenpropimorph CONF22 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 fenpropimorph CONF22 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 fenpropimorph CONF22 water 0 1