Philosophical Magazine Letters, 65(6), 291-298 (1992)

Table 2

Frequencies, cm-1, for C60: MP denotes use of Musgrave-Pople potential.

mode LDF MP MNDO(1) Empirical(2)
Ag
1416 1472 1667 1830
582 538 610 510
T1g
1253 1350 1410 1662
820 955 865 1045
661 700 627 513
T3g
1310 1386 1483 1900
1129 1104 919 951
803 857 784 724
514 633 591 615
Gg
1466 1449 1650 2006
1326 1392 1404 1813
1094 1188 1235 1327
977 970 856 657
517 601 579 593
454 489 491 433
Hg
1516 1446 1722 2085
1395 1412 1596 1910
1193 1261 1407 1575
1106 1145 1261 1292
829 825 924 828
787 818 771 526
437 471 447 413
288 276 263 274
Au
991 1138 972 1243
T1u
1403 1445 1628 1868
1127 1232 1353 1462
647 656 719 618
614 632 577 478
T3u
1494 1433 1687 1954
1164 1319 1314 1543
1009 1062 1134 1122
850 844 776 526
363 370 348 358
Gu
1408 1427 1587 2004
1286 1354 1436 1845
1115 1102 1110 1086
936 990 914 876
749 804 750 663
374 384 362 360
Hu
1507 1449 1709 2086
1317 1395 1467 1797
1203 1195 1344 1464
909 914 822 849
634 762 706 569
510 542 546 470
303 404 403 405

(1) Stanton and Newton (1988).
(2) Newton and Stanton (1986).

Contents

[Abstract] [Introduction] [Method] [Vibrational modes] [Conclusions] [Acknowledgements] [References] [Table 1] [Table 2] [Table 3] [Table 4] [Figure 1] [Figure 2]

Christopher D. Latham HTML 3.2: [W3C][WDG]