%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Fenhexamid CONF9 water 0 1 Cl -1.1748820418 -1.1829936771 -1.6939406443 Cl -4.0042058894 0.1184282198 -1.5995481562 O 1.2742893802 0.7288897198 -0.8470500069 O -4.5659334970 1.5320732466 0.9747324408 N 0.5207434745 -0.6836131921 0.7223561197 C 2.8377172844 -0.9324580212 -0.0187979039 C 3.9169301782 -0.1474397989 -0.7761229506 C 3.3175224902 -1.1375799784 1.4277338350 C 4.3411411374 1.1505958217 -0.0940479755 C 3.6681357157 0.1723233123 2.1220427690 C 4.7527414417 0.9178499790 1.3546286715 C 2.6310301681 -2.2937745822 -0.6955301837 C 1.4972061971 -0.1993229354 -0.0834986705 C -0.7730187985 -0.1352458963 0.7571668477 C -1.6494811249 -0.2807558536 -0.3146122966 C -1.2141443824 0.5477076390 1.8831002148 C -2.9228356401 0.2784699577 -0.2656537676 C -2.4839280091 1.0838834295 1.9491025773 C -3.3513467571 0.9696149725 0.8686505463 H 3.5994293501 0.0441768210 -1.8030918294 H 4.7908819953 -0.8035275330 -0.8471683015 H 4.2125286994 -1.7669765563 1.3835933890 H 2.5956870923 -1.7085484760 2.0178153138 H 3.5295647329 1.8815039844 -0.1256801284 H 5.1695322619 1.5932007331 -0.6529226450 H 3.9987137736 -0.0322867321 3.1428467997 H 2.7764819173 0.8031306775 2.2102133974 H 5.6758603459 0.3290945768 1.3821591595 H 4.9772118741 1.8701619791 1.8406607361 H 3.5790037676 -2.8330304676 -0.7282990833 H 1.9156005733 -2.9163260266 -0.1562490835 H 2.2758874963 -2.1830377972 -1.7216515368 H 0.7387542985 -1.4042359890 1.3958221961 H -0.5423174262 0.6604126102 2.7234438564 H -2.8094735193 1.6123616422 2.8352504857 H -5.0940520844 1.4065886933 0.1754998485 --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 Fenhexamid CONF9 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 Fenhexamid CONF9 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 Fenhexamid CONF9 water 0 1