2-Chlorothiophene　adsorbed　on　Rh(111)　surface　was　investigated　by　the　density　functional　theory.　The　results　showed　that　2-chlorothiophene　was　adsorbed　preferably　at　the　hol　and　bridge　sites　with　the　adsorbate　molecular　plane　parallel　to　the　Rh(l　I　I)　surface.　After　adsorption,　the　molecular　plane　of　the　adsorbate　was　distorted　along　with　the　corresponding　changes　of　bond　lengths.　The　C-H(C),　S)　bonds　tilted　away　from　the　surface.　The　upright　adsorption　was　less　stable　than　the　parallel　adsorption;　however,　the　2-thiophene　ring　remained　flat.　After　the　2-chlorothiophene　molecule　was　adsorbed　on　the　surface　at　the　hol　and　bridge　sites,　its　aromaticity　was　damaged　and　the　C　atoms　were　a　characteristic　of　sp(3)　hybrid.　The　2-chlorothiophene　molecule　altogether　obtained　0.77　electrons　after　the　adsorption,　while　the　metal　surface　altogether　lost　1.19　electrons.