Table 1
Spectroscopic constants of 
in the ground vibronic state and the 
dyad.
| Parameter | Calculated(a) | Measured(b) |
|---|---|---|
| v+ = 0 | ||
| B | 9.3744217(2) | 9.36123(15) |
| C | 4.611433(3) | 4.615768(49) |
| DJ × 103 | 0.7543(2) | 0.7263(17) |
| DJK × 103 | −1.3595(5) | −1.3072(25) |
| DK × 103 | 0.6506(4) | 0.6296(44) |
| HJ × 103 | −0.189(63) | |
| Fit rms | 4. × 10−6 | |
 |
||
 |
[1405.72390] | 1405.743(58) |
| B | 9.35850(9) | 9.3489(28) |
| C | 4.63516(12) | 4.6340(19) |
| DJ × 103 | [0.75425] | 0.398(28) |
| DJK × 103 | [−1.35945] | −0.720(53) |
| DK × 103 | [0.65058] | 0.375(33) |
 |
||
 |
[1394.97609] | 1395.238(39) |
| B | 9.46055(7) | 9.4488(22) |
| C | 4.56755(9) | 4.57126(76) |
| ζ4 | −0.10817(2) | −0.10295(44) |
| DJ × 103 | [0.75425] | 0.809(24) |
| DJK × 103 | [−1.35945] | −1.370(46) |
| DK × 103 | [0.65058] | 0.616(25) |
 |
||
| Fab | −8.96069(19) | −8.9070(21) |
| Fab,c | 0.02178(3) | 0.02232(20) |
| (Fab)J ×103 | 1.75(2) | [0] |
| (Fab)K ×103 | −1.38(2) | [0] |
| Fit rms | 5. × 10−4 | 0.064(c) |
All values are in cm−1 except that of ζ4, which is dimensionless. Parameters for 
are reported in Appendix C. (a)Calculated uncertainties (values in parentheses) reflect twice the standard parameter fit error. The 
and 
vibrational energies were fixed to the J = 0 pure vibrational energies. The DJ, DJK, and DK parameters for 
and 
were constrained to the calculated v+ = 0 values. (b)Errors on parameters (values in parentheses) are equal to 1σ. (c)Value for the combined fit.
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