%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq Optimization Phenothrin_RS CONF76 water 0 1 O -1.7242797758 1.0376865990 -0.5059294568 O -3.8572519703 1.6006572988 -0.2150045218 O 3.2648591044 0.7940272777 0.0714350809 C -2.5671539636 -1.8604636474 -0.7616215871 C -2.4326791995 -1.6365523582 0.7040955904 C -3.2969893895 -0.6867823658 -0.1311676487 C -3.4794569618 -2.9818339429 -1.2039512356 C -1.3906878289 -1.6773355802 -1.6886836090 C -1.1607607976 -1.2149680711 1.3447364319 C -2.9964408443 0.7462236962 -0.2859442397 C -1.0807815621 -0.4894150630 2.4632883592 C 0.2392176716 -0.1359311461 3.0752135948 C -2.2785733528 0.0469820988 3.1841685217 C -1.3496541786 2.4113783022 -0.5891162393 C 0.1330611204 2.4921330104 -0.8077646163 C 1.0016648816 1.5494271971 -0.2695599268 C 0.6476480175 3.5719384994 -1.5191449591 C 2.3698363012 1.6848960921 -0.4672690486 C 2.0171761251 3.7083421093 -1.6847807983 C 2.8893850304 2.7605450274 -1.1704533303 C 2.9892525702 -0.5506753353 0.0265870333 C 3.3299884525 -1.3056941306 1.1398735183 C 2.4413816554 -1.1530585799 -1.0992702589 C 3.1156803846 -2.6769422778 1.1258674414 C 2.2252979228 -2.5237973644 -1.0956515447 C 2.5569985811 -3.2910414140 0.0134936952 H -3.0477255523 -2.2842296262 1.3237326339 H -4.3636886643 -0.8354416805 -0.0106580296 H -4.3269271527 -3.1073641468 -0.5294307942 H -2.9350618766 -3.9275716779 -1.2339270799 H -3.8733179789 -2.7935838966 -2.2042980436 H -0.8938511552 -2.6397653681 -1.8261976085 H -0.6412841031 -0.9764766621 -1.3324629461 H -1.7241142139 -1.3410847168 -2.6719866321 H -0.2372614724 -1.5560014021 0.8824196977 H 0.2972650859 -0.4780597342 4.1117589125 H 0.3778071949 0.9483846893 3.0998820048 H 1.0759857955 -0.5703116882 2.5289945785 H -2.3292397772 -0.3554147507 4.1985461211 H -3.2200910673 -0.1803605945 2.6876927940 H -2.2074423857 1.1322260041 3.2888919931 H -1.6215035626 2.9248173529 0.3371801896 H -1.8773333985 2.9036063402 -1.4083321069 H 0.6202758838 0.7130900418 0.3034480341 H -0.0236207666 4.3070786612 -1.9454276132 H 2.4113065266 4.5505396704 -2.2377346301 H 3.9581570943 2.8540018964 -1.3131085617 H 3.7577342725 -0.8235177335 2.0096445281 H 2.1871342467 -0.5681495732 -1.9741255807 H 3.3802899708 -3.2637834281 1.9956248690 H 1.7976604337 -2.9922863089 -1.9723719997 H 2.3860602169 -4.3590796479 0.0077818502 --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 CONF76 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 CONF76 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 CONF76 water 0 1