Ground state rotational constants (in MHz), fitted to observed transitions at mass 78 u (C6H6) and 84 u (C6D6 or 13C6H6). Numbers in round brackets give the 1 − σ standard deviation in the corresponding last digits.
| C6H6 | C6D6 | 13C6H6 | |
|---|---|---|---|
| B 0 | 5689.2855(54) | 4707.3175(34) | 5337.884(51) |
| D J | 0.79(19) × 10−3 | 0.64(10) × 10−3 | 0.84(74) × 10−3 |
| D JK | −0.78(51) × 10−3 | −0.93(27) × 10−3 | −4.1(23) × 10−3 |
| D K | a[0.935 × 10−3] | a[0.536 × 10−3] | a[0.838 × 10−3] |
| H J | −5.1(20) × 10−6 | −1.38(92) × 10−6 | |
| H JK | −8.1(91) × 10−6 | −5.2(41) × 10−6 | |
| H KJ | 55(17) × 10−6 | 0.221(74) × 10−6 | |
| Lines | 16 | 18 | 16 |
Values from MP2 aug-cc-pVTZ calculation.