Optimized geometries of ail 24 isolated pentagon rule (IPR) abiding isomers of fullerene C-84 have been calculated using density-functional theory (DFT) at the B3LYP/6-31G* level. C-13 NMR chemical shieldings are obtained employing the gauge-independent atomic orbital method. The calculated chemical shifts are in good agreement with experimental values for isomers 4, 22, and 23, all of which have been experimentally assigned without ambiguity. The calculated NMR spectra allow us to confirm earlier assignment and validate the DFT approach. The previously temporarily assigned isomers D-2(II), C-2, C-s(a), and C-s(b) are isomers 5, 11, 16, and 14, respectively. Discrepancies exist between the experimental and theoretical NMR spectra for isomers 19 and 24. The predicted NMR spectra for other isomers are also presented. The local geometry is determined largely by connectivity. The relationship between the chemical shift and the,pi -orbital axis vector (POAV) angle is far from linear, although the chemical shift generally increases when the POAV angle increases. The pyrene-type carbons form five distinct groups in the chemical shift vs POAV angle graph according to the local connectivity, providing a usable tool for their identification. Similarly, two and three groups can be identified for corannulene and pyracylene types of carbons, but these are not sufficiently distinct to be useful.