%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization fenpropimorph CONF79 water 0 1 O 0.8122022137 3.5770878379 -0.7641424618 N 2.2462045187 1.1516835552 -0.3641219441 C 2.6127863184 -0.0065523411 0.4391957559 C 2.6724121879 -1.3164906429 -0.3645726833 C 0.8137642644 1.1630179748 -0.6101361631 C 2.6179185599 2.3875624686 0.3016017504 C 0.3839723444 2.3851054425 -1.4026543305 C 2.2110828100 3.5911902096 -0.5305792226 C 1.9808734109 -2.4741679038 0.3719971163 C 4.1129854464 -1.6847841865 -0.7005348382 C -1.1223890143 2.4420716556 -1.5399278842 C 2.5649942825 4.8947983003 0.1508784490 C 0.4936147291 -2.2852118922 0.4672813992 C -3.7878018222 -1.4504411507 0.5666270242 C -2.2968483015 -1.7652442275 0.5671184299 C -0.1401180041 -1.9718139245 1.6618612525 C -0.2992198139 -2.3592322041 -0.6787770612 C -1.5086370553 -1.7194260182 1.7124044093 C -1.6576585860 -2.1022489081 -0.6304545938 C -4.3150048872 -1.1417546269 1.9665155402 C -4.5705288257 -2.6465381749 0.0121517548 C -4.0338459730 -0.2255016570 -0.3240273931 H 1.9265999732 -0.1067003070 1.2957306925 H 3.5972729727 0.1840499810 0.8749565356 H 2.1398111836 -1.1688764915 -1.3092923235 H 0.2471043856 1.1304218071 0.3380656973 H 0.5289275827 0.2739308779 -1.1753874644 H 3.7008551546 2.4066049755 0.4436578343 H 2.1598206557 2.4721723646 1.3030286000 H 0.8379261909 2.3290502890 -2.4031926636 H 2.7390396954 3.5362428372 -1.4945523977 H 2.1972563187 -3.4046534644 -0.1607345111 H 2.4114983162 -2.5812404308 1.3719033850 H 4.6249249617 -0.8673485217 -1.2107612486 H 4.1601980714 -2.5602721990 -1.3502474958 H 4.6798154501 -1.9127861686 0.2052699736 H -1.6040245736 2.5135288075 -0.5629053856 H -1.4366874305 3.2965496978 -2.1399133413 H -1.4904004051 1.5399959003 -2.0293233352 H 2.2833881286 5.7512826783 -0.4625305886 H 2.0697215049 4.9883598453 1.1188106147 H 3.6408269251 4.9491674887 0.3172397651 H 0.4402721641 -1.9155074385 2.5757040059 H 0.1580563021 -2.6092165922 -1.6298567198 H -1.9471853838 -1.4768588729 2.6711465506 H -2.2283200393 -2.1607081564 -1.5497679792 H -3.8246597843 -0.2731883888 2.4098726812 H -4.1886316880 -1.9845247677 2.6486519589 H -5.3825267453 -0.9208569947 1.9163539384 H -4.4159343933 -3.5384851123 0.6221434370 H -4.2820707674 -2.8885564483 -1.0115369747 H -5.6407968808 -2.4295458042 0.0068009660 H -3.7153743673 -0.3986302616 -1.3531648727 H -3.4949537642 0.6481991009 0.0484744327 H -5.0969759325 0.0235604364 -0.3469329884 --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 CONF79 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 CONF79 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 CONF79 water 0 1