Table A.1
Computed anharmonic fundamental vibrational transitions νi (in cm-1), estimated ground state vibrational corrections ΔB0 (in MHz), best estimates of the rotational constant 
(in MHz), and quartic centrifugal distortion rotational constants D0 (in kHz) for the isotopologues of HCO+.
| Species | ν1 | ν2 | ν3 | ΔB0 |
|
D0 |
|
|
||||||
| H12C16O+ | 3085.6 | 830.7 | 2179.1 | 243.7 | 44 605.1 | 81.9 |
| [3088.7]a | [829.7]b | [2183.9]c | [44 594.4]d | [82.4]e | ||
| H12C17O+ | 3083.1 | 829.6 | 2152.3 | 235.4 | 43 539.2 | 78.1 |
| [43 528.9]f | [79.1]f | |||||
| H12C18O+ | 3081.0 | 828.7 | 2128.2 | 228.1 | 42 591.2 | 74.7 |
| [42 581.3]d | [76]d | |||||
| H13C16O+ | 3063.0 | 823.2 | 2145.4 | 234.1 | 43 387.6 | 77.6 |
| [43 377.3]d | [79]d | |||||
| H13C17O+ | 3060.9 | 822.1 | 2117.5 | 225.8 | 42 305.6 | 73.8 |
| H13C18O+ | 3059.1 | 821.2 | 2092.5 | 218.5 | 41 343.1 | 70.5 |
| [41 333.6]d | [75]d | |||||
| D12C16O+ | 2580.5 | 667.5 | 1900.8 | 173.5 | 36 027.6 | 55.2 |
| [2584.6]d | [1904.1]d | [36 019.8]d | [55.8]e | |||
| D12C17O+ | 2566.3 | 666.1 | 1885.3 | 167.6 | 35 178.4 | 52.5 |
| D12C18O+ | 2554.2 | 665.0 | 2554.2 | 162.4 | 34 421.1 | 50.1 |
| [34 413.7]g | ||||||
| D13C16O+ | 2529.5 | 658.0 | 1893.8 | 168.8 | 35 374.4 | 52.8 |
| [35 366.6]g | ||||||
| D13C17O+ | 2515.8 | 656.7 | 1877.2 | 162.8 | 34 508.7 | 50.1 |
| D13C18O+ | 2504.1 | 655.4 | 1861.7 | 157.5 | 33 736.4 | 47.8 |
Notes. Experimental values are given in brackets.
Reference.
Taken from Puzzarini et al. (1996).
As given at http://physics.nist.gov/cgi-bin/MolSpec/triperiodic.pl
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