The first ab initio potential energy surface for Kr-HCCCN was calculated using the coupled-cluster singles and doubles with noniterative inclusion of connected triples [CCSD(T)] with a large basis set containing bond functions. The potential has a T-shaped global minimum and a local linear minimum with the Kr atom facing the H atom. The radial discrete variables representation (DVR)/angular finite basis representation (FBR) method and the Lanczos algorithm were employed to calculate the rovibrational energy levels for three isotopomers Kr-84-HCCCN, Kr-82-HCCCN, and Kr-86-HCCCN. The spectroscopic constants for the ground and the first excited states of Kr-HCCCN were predicted. (c) 2013 Elsevier B.V. All rights reserved.