molparm::molparam_ods
Modes?
Molecule ID | Molecule Name | Number of Isotopes | Isotope ID | Isotope Name | Molecular Weight | ntpwid a | expmol b | nmode |
---|---|---|---|---|---|---|---|---|
1 | H2O | 3 | 1 | H (16)O H | 18.01 | -1 | 1.5 | 3 |
2 | H (18)O H | 20.01 | -1 | 1.5 | 3 | |||
3 | H (17)O H | 19.01 | -1 | 1.5 | 3 | |||
2 | CO2 | 8 | 1 | (16)O (12)C (16)O | 43.99 | -1 | 1 | 3 |
2 | (16)O (13)C (16)O | 44.99 | -1 | 1 | 3 | |||
3 | (16)O (12)C (18)O | 45.99 | -1 | 1 | 3 | |||
4 | (16)O (12)C (17)O | 44.99 | -1 | 1 | 3 | |||
5 | (16)O (13)C (18)O | 47 | -1 | 1 | 3 | |||
6 | (16)O (13)C (17)O | 46 | -1 | 1 | 3 | |||
7 | (18)O (12)C (18)O | 48 | -1 | 1 | 3 | |||
8 | (17)O (12)C (18)O | 47 | -1 | 1 | 3 | |||
3 | O3 | 5 | 1 | (16)O (16)O (16)O | 47.98 | -1 | 1.5 | 3 |
2 | (16)O (16)O (18)O | 49.99 | -1 | 1.5 | 3 | |||
3 | (16)O (18)O (16)O | 49.99 | -1 | 1.5 | 3 | |||
4 | (16)O (16)O (17)O | 48.99 | -1 | 1.5 | 3 | |||
5 | (16)O (17)O (16)O | 48.99 | -1 | 1.5 | 3 | |||
4 | N2O | 8 | 1 | (14)N (14)N (16)O | 44 | -1 | 1 | 3 |
2 | (14)N (15)N (16)O | 45 | -1 | 1 | 3 | |||
3 | (15)N (14)N (16)O | 45 | -1 | 1 | 3 | |||
4 | (14)N (14)N (18)O | 46.01 | -1 | 1 | 3 | |||
5 | (14)N (14)N (17)O | 45.01 | -1 | 1 | 3 | |||
6 | (15)N (15)N (16)O | 46 | -1 | 1 | 3 | |||
7 | (14)N (15)N (18)O | 47 | -1 | 1 | 3 | |||
8 | (15)N (14)N (18)O | 47 | -1 | 1 | 3 | |||
5 | CO | 5 | 1 | (12)C (16)O | 27.99 | -1 | 1 | 1 |
2 | (13)C (16)O | 29 | -1 | 1 | 1 | |||
3 | (12)C (18)O | 30 | -1 | 1 | 1 | |||
4 | (12)C (17)O | 29 | -1 | 1 | 1 | |||
5 | (13)C (18)O | 31 | -1 | 1 | 1 | |||
6 | CH4 | 3 | 1 | (12)C H4 | 16.03 | -1 | 1.5 | 4 |
2 | (13)C H4 | 17.03 | -1 | 1.5 | 4 | |||
3 | (12)C H3 D | 17.04 | -1 | 1.5 | 4 | |||
7 | O2 | 3 | 1 | (16)O (16)O | 31.99 | -1 | 1 | 1 |
2 | (16)O (18)O | 33.99 | -1 | 1 | 1 | |||
3 | (16)O (17)O | 32.99 | -1 | 1 | 1 | |||
8 | NO | 3 | 1 | (14)N (16)O | 30 | -1 | 1 | 1 |
2 | (15)N (16)O | 30.99 | -1 | 1 | 1 | |||
3 | (14)N (18)O | 32 | -1 | 1 | 1 | |||
9 | SO2 | 2 | 1 | (32)S (16)O2 | 63.96 | -1 | 1.5 | 3 |
2 | (34)S (16)O2 | 65.96 | -1 | 1.5 | 3 | |||
10 | NO2 | 1 | 1 | (14)N (16)O2 | 45.99 | -1 | 1.5 | 3 |
11 | NH3 | 2 | 1 | (14)N H3 | 17.03 | -1 | 1.5 | 4 |
2 | (15)N H3 | 18.02 | -1 | 1.5 | 4 | |||
12 | HNO3 | 1 | 1 | H (14)N (16)O3 | 63 | -1 | 1.5 | 9 |
13 | OH | 3 | 1 | (16)O H | 17 | -1 | 1 | 1 |
2 | (18)O H | 19.01 | -1 | 1 | 1 | |||
3 | (16)O D | 18.01 | -1 | 1 | 1 | |||
14 | HF | 1 | 1 | H (19)F | 20.01 | -1 | 1 | 1 |
15 | HCl | 2 | 1 | H (35)Cl | 35.98 | -1 | 1 | 1 |
2 | H (37)Cl | 37.97 | -1 | 1 | 1 | |||
16 | HBr | 2 | 1 | H (79)Br | 79.93 | -1 | 1 | 1 |
2 | H (81)Br | 81.92 | -1 | 1 | 1 | |||
17 | HI | 1 | 1 | H (127)I | 127.91 | -1 | 1 | 1 |
18 | ClO | 2 | 1 | (35)Cl (16)O | 50.96 | -1 | 1 | 1 |
2 | (37)Cl (16)O | 52.96 | -1 | 1 | 1 | |||
19 | OCS | 4 | 1 | (16)O (12)C (32)S | 59.97 | -1 | 1 | 3 |
2 | (16)O (12)C (34)S | 61.96 | -1 | 1 | 3 | |||
3 | (16)O (13)C (32)S | 60.97 | -1 | 1 | 3 | |||
4 | (18)O (12)C (32)S | 61.97 | -1 | 1 | 3 | |||
20 | H2CO | 3 | 1 | H2 (12)C (16)O | 30.01 | -1 | 1.5 | 6 |
2 | H2 (13)C (16)O | 31.01 | -1 | 1.5 | 6 | |||
3 | H2 (12)C (18)O | 32.01 | -1 | 1.5 | 6 | |||
21 | HOCl | 2 | 1 | H (16)O (35)Cl | 51.97 | -1 | 1.5 | 3 |
2 | H (16)O (37)Cl | 53.97 | -1 | 1.5 | 3 | |||
22 | HO2 | 1 | 1 | H (16)O2 | 33 | -1 | 1.5 | 3 |
23 | H2O2 | 1 | 1 | H2 (16)O2 | 34.01 | -1 | 2 | 5 |
24 | HONO | 1 | 1 | H (16)O (14)N (16)O | 47 | -1 | 1.5 | 6 |
25 | HO2NO2 | 1 | 1 | H (16)O2 (14)N (16)O2 | 78.99 | -1 | 2 | 11 |
26 | N2O5 | 1 | 1 | (14)N2 (16)O5 | 107.98 | -1 | 2 | 9 |
27 | ClONO2 | 2 | 1 | (35)Cl (16)O N (16)O2 | 97.44 | -1 | 2.23 | 8 |
2 | (37)Cl (16)O N (16)O2 | 99.44 | -1 | 2.23 | 8 | |||
28 | HCN | 3 | 1 | H (12)C (14)N | 27.01 | -1 | 1 | 3 |
2 | H (13)C (14)N | 28.01 | -1 | 1 | 3 | |||
3 | H (12)C (15)N | 28.01 | -1 | 1 | 3 | |||
29 | CH3F | 1 | 1 | (12)C H3 (19)F | 34.02 | -1 | 1.5 | 6 |
30 | CH3Cl | 2 | 1 | (12)C H3 (35)Cl | 49.99 | -1 | 1.5 | 6 |
2 | (12)C H3 (37)Cl | 51.99 | -1 | 1.5 | 6 | |||
31 | CF4 | 1 | 1 | (12)C (19)F4 | 87.99 | -1 | 1.5 | 4 |
32 | CCl2F2 | 1 | 1 | (12)C Cl (19)F2 | 120.89 | -1 | 1.5 | 9 |
33 | CCl3F | 1 | 1 | (12)C Cl3 (19)F | 137.34 | -1 | 1.5 | 6 |
34 | CH3CCl3 | 1 | 1 | (12)C H3 (12)C Cl3 | 133.37 | -1 | 2 | 12 |
35 | CCl4 | 1 | 1 | (12)C Cl4 | 153.79 | -1 | 1.5 | 4 |
36 | COF2 | 1 | 1 | (12)C (16)O (19)F2 | 65.99 | -1 | 1.5 | 6 |
37 | CFClO | 1 | 1 | (12)C (19)F Cl (16)O | 82.44 | -1 | 1.5 | 6 |
38 | C2H6 | 1 | 1 | (12)C2 H6 | 30.05 | -1 | 1.9 | 11 |
39 | C2H4 | 1 | 1 | (12)C2 H4 | 28.03 | -1 | 1.5 | 12 |
40 | C2H2 | 2 | 1 | (12)C2 H2 | 26.02 | -1 | 1 | 5 |
2 | (12)C (13)C H2 | 27.02 | -1 | 1 | 5 | |||
41 | N2 | 1 | 1 | (14)N2 | 28.01 | -1 | 1 | 1 |
42 | CHF2Cl | 1 | 1 | (12)C H (19)F2 Cl | 86.45 | -1 | 1.5 | 9 |
43 | COCl2 | 1 | 1 | (12)C (16)O Cl2 | 98.89 | -1 | 1.5 | 6 |
44 | CH3Br | 2 | 1 | (12)C H3 (79)Br | 93.94 | -1 | 1.5 | 6 |
2 | (12)C H3 (81)Br | 95.94 | -1 | 1.5 | 6 | |||
45 | CH3I | 1 | 1 | (12)C H3 (127)I | 141.93 | -1 | 1.5 | 6 |
46 | HCOOH | 1 | 1 | H (12)C (16)O (16)O H | 46.01 | -1 | 1.5 | 9 |
47 | H2S | 1 | 1 | H2 (32)S | 33.99 | -1 | 1.5 | 3 |
48 | CHFCl2 | 1 | 1 | (12)C H (19)F Cl2 | 102.9 | -1 | 1.5 | 9 |
49 | HDO | 2 | 1 | H D (16)O | 19.02 | -1 | 1.5 | 3 |
2 | H D (18)O | 21.02 | -1 | 1.5 | 3 | |||
50 | SF6 | 1 | 1 | (32)S (19)F6 | 145.96 | -1 | 1.5 | 6 |