Table 2.
Vibrational subsystem analysis and BNM results for butane in the global minimum (i.e., anti conformation). All frequencies are listed in cm−1.
| VSA Freq. | Full NMA Freq. (% overlap) | BNM freq. | Full NMA Freq. (% overlap) |
|---|---|---|---|
| 122 | 122 (100) | 128 | 122 (100) |
| 294 | 290 (100) | 308 | 290 (100) |
| 397 | 392 (100) | 445 | 392 (98) |
| 993 | 866 (77) | 511 | 219 (82) |
| 1107 (56) | 743 (51) | ||
| 1047 | 1012 (80) | 711 | 256 (72) |
| 985 (52) | 829 (49) | ||
| 1058 (35) | |||
| 1161 (36) | |||
| 1146 | 1036 (83) | 991 | 866 (72) |
| 1351 (45) | 1036 (34) | ||
| 1107 (58) |