%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Phenothrin_RS CONF85 water 0 1 O -1.6788293333 0.9888793144 -0.5967924704 O -3.8335947384 1.5226346325 -0.7427203020 O 3.2366029230 0.7308432625 0.3017218294 C -2.5383703268 -1.9452135840 -0.8134982063 C -2.5131839778 -1.6425280337 0.6442601829 C -3.2868542464 -0.7245330940 -0.3004087038 C -3.4339633657 -3.0686013147 -1.2821840818 C -1.2813101838 -1.8218197896 -1.6376878379 C -1.2684067743 -1.2507334239 1.3564596306 C -2.9682661684 0.6879297241 -0.5696160687 C -1.1925799130 -0.3543801284 2.3431219477 C 0.1015669110 -0.0638488983 3.0377153777 C -2.3604178246 0.4531629033 2.8183364211 C -1.3129823889 2.3486461072 -0.7995423662 C 0.1834838105 2.4730373337 -0.7567289656 C 1.0047593992 1.4747437117 -0.2487132830 C 0.7475764051 3.6611158530 -1.2157519720 C 2.3822706237 1.6667922015 -0.2220797170 C 2.1188618522 3.8459338079 -1.1629250232 C 2.9494585701 2.8470388778 -0.6751645215 C 2.9662803190 -0.6077608493 0.1561752967 C 2.5452174043 -1.1462271299 -1.0535122626 C 3.1886838386 -1.4221339488 1.2572090623 C 2.3294622635 -2.5137061966 -1.1457407180 C 2.9773737434 -2.7894988976 1.1478016136 C 2.5402669322 -3.3398001428 -0.0492315013 H -3.1916770929 -2.2434460940 1.2456831496 H -4.3617337064 -0.8559351039 -0.2559227316 H -3.7485175345 -2.9121103542 -2.3156717353 H -4.3316292910 -3.1555750552 -0.6692938588 H -2.9066295223 -4.0234084846 -1.2368367969 H -1.5188696384 -1.5560945879 -2.6692417418 H -0.7734652220 -2.7882003715 -1.6588334686 H -0.5689814918 -1.0938938060 -1.2596505888 H -0.3611167771 -1.7771735898 1.0670893827 H 0.9207004716 -0.6706485144 2.6533140383 H 0.0191703051 -0.2474905421 4.1120327509 H 0.3784764017 0.9879284546 2.9244834114 H -2.4773603336 0.3619214355 3.9003040626 H -3.3034139856 0.1660653033 2.3585278566 H -2.1969908302 1.5152828785 2.6179750003 H -1.7598960829 2.9764552133 -0.0236999837 H -1.6863695271 2.7025270164 -1.7635281580 H 0.5823240945 0.5526809545 0.1287870511 H 0.1116077795 4.4414273339 -1.6155648629 H 2.5517764269 4.7708940875 -1.5199331694 H 4.0228166852 2.9827729954 -0.6450064056 H 2.3863664006 -0.5132631838 -1.9174158813 H 3.5239979224 -0.9881229952 2.1905739738 H 1.9979465760 -2.9337643710 -2.0862678257 H 3.1496896951 -3.4235758760 2.0074040665 H 2.3706615777 -4.4050003249 -0.1299547998 --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 Phenothrin_RS CONF85 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 Phenothrin_RS CONF85 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 Phenothrin_RS CONF85 water 0 1