%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Fenamiphos CONF603 gas 0 1 S -4.7210358488 -0.8139023462 -0.5522948178 P 1.9195491387 0.7198388814 0.6875756881 O 0.7140332529 1.4640844550 -0.1103971082 O 3.0789002147 1.4682264848 -0.1189643991 O 1.9143957514 0.8316945188 2.1564025518 N 1.9206053248 -0.8530534683 0.1993625819 C 1.9137932989 -1.3620152393 -1.1655559823 C 0.7116143897 -2.2702363187 -1.3932853935 C 3.2217414900 -2.0785267585 -1.4816077425 C -0.5488258730 0.9456859241 -0.1548130859 C -2.4628347545 -0.0971340760 0.8868010342 C -1.1839322651 0.4438450861 0.9731315897 C 4.4327314025 1.3107812040 0.3149972841 C -1.1896687287 0.9445784236 -1.3834826105 C -3.0955921607 -0.1311930028 -0.3615954734 C -2.4617174276 0.4080385226 -1.4750892452 C -3.1302286324 -0.6211455780 2.1231586369 C 4.8310011796 2.3834360612 1.3030690330 C -4.2994035704 -2.5641391036 -0.7672693966 H 1.8234503495 -0.5011025288 -1.8327509825 H 1.8035021929 -1.5352129162 0.9323801881 H 0.7567924465 -3.1461821838 -0.7415144536 H -0.2241260410 -1.7487257813 -1.1974934787 H 0.6902110749 -2.6327808398 -2.4213728437 H 4.0743995311 -1.4102561587 -1.3627262131 H 3.2271457852 -2.4542550996 -2.5053004150 H 3.3679650792 -2.9314040995 -0.8156889876 H -0.6872645281 0.4894230843 1.9346751456 H 4.5902723593 0.3147539833 0.7418729150 H 5.0399777655 1.3712004167 -0.5890677868 H -0.6926653275 1.3533915171 -2.2532461166 H -2.9731929734 0.3950595277 -2.4286375753 H -3.3159044925 -1.6943879870 2.0585698750 H -2.5140672312 -0.4458597752 3.0035688658 H -4.0976581173 -0.1460741481 2.2826403460 H 4.2463767296 2.3119204841 2.2184812597 H 5.8847282484 2.2721591125 1.5613270058 H 4.6928139601 3.3773730707 0.8786232941 H -5.2324231141 -3.1086870305 -0.9047050567 H -3.7908100916 -2.9647922906 0.1078928516 H -3.6755054571 -2.7106304539 -1.6465637634 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Fenamiphos CONF603 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 Fenamiphos CONF603 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Fenamiphos CONF603 gas 0 1