%chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq Optimization Cyfluthrin CONF29 gas 0 1 Cl -4.6895885928 3.1572864707 1.1251198823 Cl -5.5003683436 3.8616032174 -1.5516803567 F 5.0620982299 -3.5766983980 -0.1802759094 O 1.2372884183 1.3379160014 -0.7962407304 O 0.1452023714 1.4681129373 1.1611357378 O 2.4644428227 -3.4967522813 0.2469720745 N 3.8241226688 3.3478787886 -1.2849192089 C -2.0547662753 0.0868430569 -0.6470029798 C -2.4343119381 1.4946820035 -0.2905790460 C -1.0719381126 1.2203242033 -0.8845865390 C -2.6307099716 -0.5595387152 -1.8838467865 C -1.8386421324 -0.8926802422 0.4803868145 C -3.4139793132 2.2627904879 -1.0702969308 C 0.1245119984 1.3691710942 -0.0337130442 C -4.3987323146 2.9922421712 -0.5595664650 C 2.4949819196 1.4102617936 -0.1428849248 C 3.2100286447 0.0756536171 -0.2054412723 C 3.2425971328 2.4879964550 -0.7939725532 C 2.4784233256 -1.0808085015 0.0513525559 C 4.5703086884 -0.0111830671 -0.4517412612 C 3.1007634355 -2.3180237505 0.0633578848 C 5.2007871660 -1.2485202731 -0.4414225514 C 4.4700274774 -2.3846277922 -0.1850868870 C 1.2902168972 -3.5654008729 0.9439569251 C 1.1310993277 -2.9638357437 2.1856419926 C 0.2717465464 -4.3269455930 0.3907263082 C -0.0636994805 -3.1278196971 2.8686658750 C -0.9125914710 -4.4945987633 1.0924041359 C -1.0884488941 -3.8913004301 2.3283535597 H -2.4216403545 1.7062550751 0.7724320673 H -0.9176617390 1.4844210050 -1.9250020988 H -2.0008589466 -1.3920997830 -2.2002924663 H -3.6267052639 -0.9544007144 -1.6781999989 H -2.7137868279 0.1225989127 -2.7290716226 H -1.4843200567 -0.4246470485 1.3954899432 H -2.7791565116 -1.3944030164 0.7122162743 H -1.1231967755 -1.6673812820 0.1965108575 H -3.3399746572 2.2432252287 -2.1506875118 H 2.3519110496 1.6949373889 0.9053386171 H 1.4153356203 -1.0339074811 0.2465334524 H 5.1554269366 0.8743881288 -0.6598699180 H 6.2616948276 -1.3304516502 -0.6348392438 H 1.9319447400 -2.3807883391 2.6220548656 H 0.4192342023 -4.7950153350 -0.5736804765 H -0.1883623572 -2.6589909906 3.8355539521 H -1.7033254654 -5.0959986816 0.6640146051 H -2.0154559260 -4.0181937368 2.8705282644 --Link1-- %oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx Wavefunction Cyfluthrin CONF29 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 CONF29 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 CONF29 gas 0 1