Millimeter-wave spectroscopy combined with a pulsed supersonic jet technique was used to observe rotational lines of the H-2-HCN cluster containing the ortho as well as para hydrogen molecule. The Sigma symmetry in the ground state was confirmed for both species. From the observed rotational constants, the average distance between the center of mass of H-2 and that of HCN was derived to be 3.9613 (35) A for the ortho species and 4.229 (11) A for the para species. The results suggest totally different configurations in the ortho and para species: H-2 is attached to the hydrogen end of HCN in the para species, while to the nitrogen end in the ortho species. The nuclear quadrupole interaction constants show that the HCN part executes a floppy motion with a large mean amplitude of about 30 degrees in the ortho, as well as para, species. <(C)> 2001 American Institute of Physics.