| Version | 2023.11 |
| Tag | 60802 |
| Molecule - Descriptor | Methyl Formate (HCOOCH3) - vt=0, 1 |
| Isotope | parent |
| Hyperfine | N/A |
| Lines in DB | 123769 |
| Frequency max. (MHz) | 999999.1798 |
| J max. | 65 |
| Cite these data as | Tudorie M., Ilyushin V., Auwera J.V., Pirali O., Roy P., Huet T.R. 2012, J. Chem. Phys., 137, 064304 https://doi.org/10.1063/1.4740250 |
Note: The partition function Qrot contains the contribution from the torsional mode. It is calculated from first principles including the states up to vt = 8.
| T(K) | Qt | Qrot | Qvib |
|---|---|---|---|
| 300.0 | 155594.579 | 155594.579 | 1.0 |
| 290.0 | 144144.558 | 144144.558 | 1.0 |
| 280.0 | 133180.297 | 133180.297 | 1.0 |
| 270.0 | 122701.083 | 122701.083 | 1.0 |
| 260.0 | 112705.683 | 112705.683 | 1.0 |
| 250.0 | 103192.323 | 103192.323 | 1.0 |
| 240.0 | 94158.652 | 94158.652 | 1.0 |
| 230.0 | 85601.707 | 85601.707 | 1.0 |
| 220.0 | 77517.878 | 77517.878 | 1.0 |
| 210.0 | 69902.856 | 69902.856 | 1.0 |
| 200.0 | 62751.589 | 62751.589 | 1.0 |
| 190.0 | 56058.220 | 56058.22 | 1.0 |
| 180.0 | 49816.023 | 49816.023 | 1.0 |
| 170.0 | 44017.323 | 44017.323 | 1.0 |
| 160.0 | 38653.418 | 38653.418 | 1.0 |
| 150.0 | 33714.475 | 33714.475 | 1.0 |
| 140.0 | 29189.427 | 29189.427 | 1.0 |
| 130.0 | 25065.857 | 25065.857 | 1.0 |
| 120.0 | 21329.872 | 21329.872 | 1.0 |
| 110.0 | 17965.990 | 17965.99 | 1.0 |
| 100.0 | 14957.030 | 14957.03 | 1.0 |
| 90.0 | 12284.051 | 12284.051 | 1.0 |
| 80.0 | 9926.348 | 9926.348 | 1.0 |
| 70.0 | 7861.567 | 7861.567 | 1.0 |
| 60.0 | 6065.990 | 6065.99 | 1.0 |
| 50.0 | 4515.125 | 4515.125 | 1.0 |
| 40.0 | 3184.974 | 3184.974 | 1.0 |
| 30.0 | 2055.267 | 2055.267 | 1.0 |
| 20.0 | 1118.142 | 1118.142 | 1.0 |
| 10.0 | 396.754 | 396.7538 | 1.0 |
Details: Each level is characterized by the usual asymmetric top quantum numbers
J, Ka, and Kc, and the free rotor quantum number m.
When table includes hyperfine levels, standard F = J+I quantum number is added to the labeling.
The correspondence between
m quantum number in .cat file and the vibrational torsional quantum number vt and symmetry species Γ = A or E
of C3v symmetry point group is given in the table →
| m | vt | Γ |
|---|---|---|
| 0 | 0 | A |
| 1 | 0 | E |
| -3 | 1 | A |
| -2 | 1 | E |
| 3 | 2 | A |
| 4 | 2 | E |
| -6 | 3 | A |
| -5 | 3 | E |
| 6 | 4 | A |
| 7 | 4 | E |
Lille Spectroscopic Database