%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Flumethrin CONF7 water 0 1 Cl 0.8475650788 0.5168620210 2.1627934353 Cl 7.3970444911 -0.8071035520 0.2929834615 F -3.2941453633 -4.2866479121 -0.3729506677 O -3.0588733668 1.9167442817 0.1322068964 O -3.2132253924 1.3840537753 -2.0304410059 O -1.2452062338 -2.7125769065 0.3823266146 N -4.8606724210 1.7645560755 2.8844349877 C -0.6585904728 3.6511876819 -0.7056376759 C -0.2497736952 2.3644951405 -0.0507611631 C -1.1936439517 2.3417036297 -1.2481149894 C 0.3063029342 4.3742626072 -1.6145421270 C -1.5374343851 4.5955089929 0.0787608139 C 1.0968812569 1.8006308885 -0.1690494555 C -2.5749939718 1.8490956697 -1.1182625995 C 1.7129831203 1.0335627854 0.7351237275 C -4.2330279581 1.1748446980 0.4177202369 C 3.1080447675 0.5749538872 0.6485234827 C -4.0024712988 -0.3142213783 0.2785820850 C 3.5598588095 -0.5523567353 1.3349526484 C 4.0259337581 1.2714118563 -0.1426204257 C -4.5685308220 1.5173253001 1.8000947726 C 4.8716510789 -0.9833863307 1.2271713517 C 5.3375731505 0.8479099185 -0.2648148089 C -2.7380799307 -0.8384301724 0.5039445512 C -5.0409502305 -1.1430386740 -0.1192315436 C 5.7535219478 -0.2808347821 0.4240645022 C -2.4949739444 -2.1768616674 0.2546695337 C -4.8173367920 -2.4980987590 -0.3066800153 C -3.5414441952 -2.9959156559 -0.1405319299 C -0.2586008624 -2.2847524161 -0.4777442176 C -0.4965893412 -1.4830171349 -1.5874572727 C 1.0267733081 -2.7249311901 -0.1867051193 C 0.5723166740 -1.1140313530 -2.3957664377 C 2.0772316472 -2.3597558402 -1.0132520103 C 1.8599235337 -1.5461715081 -2.1178492450 H -0.7354945428 2.1844203171 0.8999402387 H -0.7575923478 2.0405426875 -2.1938237754 H -0.2376183951 5.0638488469 -2.2617439072 H 0.8735130909 3.7040340105 -2.2586786212 H 1.0155468605 4.9604424104 -1.0280372897 H -2.1301425251 4.1042637543 0.8464262990 H -2.2164405527 5.1337994327 -0.5845833898 H -0.9111711416 5.3361639036 0.5787379263 H 1.6566068119 2.0358062026 -1.0666747047 H -5.0729732418 1.4866116440 -0.2119582966 H 2.8886393735 -1.1247545191 1.9593343977 H 3.7322970051 2.1747070904 -0.6600181588 H -1.9146914366 -0.2157376308 0.8336494843 H 5.1940100288 -1.8635421401 1.7664067396 H 6.0290371663 1.4084263018 -0.8788690313 H -6.0272393573 -0.7347157873 -0.2969447740 H -5.6184199512 -3.1551335556 -0.6172534510 H -1.4900028852 -1.1386312239 -1.8412476858 H 1.1998182452 -3.3521331336 0.6784458493 H 0.3834979079 -0.4825972064 -3.2542010206 H 3.0752367472 -2.7089734934 -0.7846846170 H 2.6855577373 -1.2529842912 -2.7520066950 --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 Flumethrin CONF7 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 Flumethrin CONF7 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 Flumethrin CONF7 water 0 1