%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Cyfluthrin CONF28 gas 0 1 Cl -4.6957545963 3.0713682363 1.2143119512 Cl -5.5289897466 3.8798448474 -1.4252974855 F 5.0693887917 -3.5658966148 -0.2367179924 O 1.2525361018 1.3688890117 -0.7893118035 O 0.1561709984 1.4542392560 1.1676256892 O 2.4655202480 -3.4921366079 0.1516120034 N 3.8518914245 3.3769789490 -1.2253198041 C -2.0347725256 0.1204900977 -0.6905801069 C -2.4196783416 1.5117635881 -0.2782579339 C -1.0581543939 1.2676921572 -0.8860731791 C -2.6126710222 -0.4783108271 -1.9501799364 C -1.8107651045 -0.9013424443 0.3969622923 C -3.4108266652 2.3009090179 -1.0218128575 C 0.1378489659 1.3872176242 -0.0296658078 C -4.4069106216 2.9887605782 -0.4765611232 C 2.5080003014 1.4228001687 -0.1296819856 C 3.2205156895 0.0880987146 -0.2147209248 C 3.2637337950 2.5106144897 -0.7542533578 C 2.4843752281 -1.0726212900 0.0067542650 C 4.5842950095 0.0048778321 -0.4432303419 C 3.1055877909 -2.3105069992 0.0020950036 C 5.2135869153 -1.2331060676 -0.4496228213 C 4.4782787069 -2.3734588334 -0.2269411360 C 1.2862982339 -3.5755533723 0.8382784310 C 0.2759141996 -4.3335276468 0.2656397306 C 1.1135506895 -2.9915560076 2.0865099157 C -0.9143622437 -4.5145880459 0.9536660142 C -0.0870898727 -3.1687761931 2.7558905842 C -1.1040885980 -3.9284040414 2.1958202135 H -2.4033968417 1.6816229880 0.7921535150 H -0.9052121342 1.5714331794 -1.9157996347 H -1.9787488430 -1.2921784954 -2.3046839120 H -3.6046982513 -0.8884888313 -1.7557202316 H -2.7057959000 0.2382430072 -2.7652922484 H -1.4533442393 -0.4669787893 1.3273617353 H -2.7487951190 -1.4137997982 0.6146053680 H -1.0950217085 -1.6630225648 0.0805395942 H -3.3386494277 2.3320231749 -2.1019536294 H 2.3617396365 1.6864588718 0.9236950519 H 1.4187234649 -1.0285735559 0.1874708743 H 5.1732601165 0.8939852247 -0.6239863307 H 6.2771901865 -1.3120199942 -0.6290788009 H 0.4341453816 -4.7881016219 -0.7034816887 H 1.9076492895 -2.4112338349 2.5385213403 H -1.6987515421 -5.1130882919 0.5098448122 H -0.2225329287 -2.7133546816 3.7277638442 H -2.0358040255 -4.0656502531 2.7273505118 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Cyfluthrin CONF28 gas 0 1 opt-b3lyp-pople.wfx --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) Electronic spectrum Cyfluthrin CONF28 gas 0 1 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read Single Point Cyfluthrin CONF28 gas 0 1