%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization fenpropimorph CONF20 water 0 1 O 0.2696351766 3.0857337007 0.0830181915 N 1.9816607442 0.8587636310 0.4383120871 C 3.2079719125 0.0938858954 0.3547622247 C 3.0662449659 -1.3147299109 -0.2216853392 C 2.1557181362 2.0740237545 1.2092015616 C 1.4359720709 1.1960007783 -0.8602949718 C 0.8323566357 2.8085958124 1.3556655739 C 0.1083175003 1.9160341794 -0.7042988657 C 2.0856811356 -2.1975278348 0.5665897797 C 4.4453649045 -1.9677154272 -0.2418865305 C 0.9945464629 4.1178203740 2.0966003933 C -0.4783754574 2.3197219862 -2.0384840141 C 0.6215472207 -1.9475470852 0.3254829424 C -3.5929430120 -1.1233744965 -0.4639999692 C -2.1371174516 -1.4499797302 -0.1534776803 C 0.0797021768 -2.0362948217 -0.9571048062 C -0.2517981052 -1.6459296522 1.3619350782 C -1.2627249480 -1.7888675486 -1.1902834542 C -1.6007975612 -1.3985805611 1.1296555179 C -3.6373282973 0.0915741187 -1.4000343279 C -4.3940005893 -0.7880543224 0.7937562408 C -4.2587654055 -2.3198037666 -1.1538812447 H 3.6089514457 0.0015067210 1.3699460198 H 3.9750175243 0.6336679565 -0.2291245278 H 2.7253500109 -1.2517556905 -1.2602201195 H 2.9007330610 2.7508364416 0.7512423072 H 2.5258100744 1.8197577511 2.2056348080 H 1.2653021724 0.2912238102 -1.4435528783 H 2.1314727588 1.8284598319 -1.4430427446 H 0.1445734118 2.1592394306 1.9185625887 H -0.5902093398 1.2308743290 -0.1981499544 H 2.2969500365 -3.2406459721 0.3082053784 H 2.3026681567 -2.1042794658 1.6351369422 H 5.1678854606 -1.3588470608 -0.7879202748 H 4.4103250959 -2.9469120493 -0.7211216941 H 4.8315621747 -2.1097000805 0.7704365764 H 1.3932315095 3.9357475310 3.0947266770 H 1.6821532897 4.7888178473 1.5783763486 H 0.0384435388 4.6291367833 2.2134302493 H -1.4339803948 2.8302319407 -1.9141991836 H 0.1944958447 2.9802305447 -2.5882860611 H -0.6547251348 1.4342272533 -2.6497800922 H 0.7194718706 -2.2896557825 -1.7952850955 H 0.1287546250 -1.5756049300 2.3746467921 H -1.6301637453 -1.8578179406 -2.2075551706 H -2.2267800269 -1.1517815841 1.9768201187 H -3.1294074289 -0.1027135768 -2.3462378321 H -3.1644307015 0.9617561000 -0.9389256014 H -4.6706476492 0.3595503634 -1.6318718840 H -4.4145658113 -1.6189904535 1.5016594010 H -5.4275549972 -0.5645811635 0.5241281157 H -3.9972235077 0.0870889584 1.3119400023 H -3.7572107245 -2.5878588152 -2.0853506682 H -5.2980380145 -2.0897660035 -1.3978792064 H -4.2556470198 -3.2004831207 -0.5083616729 --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 CONF20 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 CONF20 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 CONF20 water 0 1