Species & isotopologues

Every molecule below can be named with the species notation — mol = :CO2 / "CO2" / 2, and isotopologues with iso = :main / an id / :ALL. The mapping is overridable with register_molecule! / register_isotopologue!. Molar mass / abundance are blank for the heavy molecules that ship only as tabulated cross-sections.

id	molecule	iso	isotopologue	molar mass [g/mol]	abundance
1	:H2O	1	H2(16O)	18.011	0.99732
1	:H2O	2	H2(18O)	20.015	0.0019998
1	:H2O	3	H2(17O)	19.015	0.000372
1	:H2O	4	HD(16O)	19.017	0.00031069
1	:H2O	5	HD(18O)	21.021	6.23e-7
1	:H2O	6	HD(17O)	20.021	1.16e-7
1	:H2O	7	D2(16O)	20.023	2.4197e-8
2	:CO2	1	(12C)(16O)2	43.99	0.9842
2	:CO2	2	(13C)(16O)2	44.993	0.011057
2	:CO2	3	(16O)(12C)(18O)	45.994	0.0039471
2	:CO2	4	(16O)(12C)(17O)	44.994	0.000734
2	:CO2	5	(16O)(13C)(18O)	46.997	4.434e-5
2	:CO2	6	(16O)(13C)(17O)	45.997	8.25e-6
2	:CO2	7	(12C)(18O)2	47.998	3.9573e-6
2	:CO2	8	(17O)(12C)(18O)	46.998	1.47e-6
2	:CO2	9	(12C)(17O)2	45.998	1.368e-7
2	:CO2	10	(13C)(18O)2	49.002	4.4967e-8
2	:CO2	11	(18O)(13C)(17O)	48.002	1.654e-8
2	:CO2	12	(13C)(17O)2	47.002	1.5375e-9
3	:O3	1	(16O)3	47.985	0.9929
3	:O3	2	(16O)(16O)(18O)	49.989	0.0039819
3	:O3	3	(16O)(18O)(16O)	49.989	0.001991
3	:O3	4	(16O)(16O)(17O)	48.989	0.00074
3	:O3	5	(16O)(17O)(16O)	48.989	0.00037
4	:N2O	1	(14N)2(16O)	44.001	0.99033
4	:N2O	2	(14N)(15N)(16O)	44.998	0.0036409
4	:N2O	3	(15N)(14N)(16O)	44.998	0.0036409
4	:N2O	4	(14N)2(18O)	46.005	0.0019858
4	:N2O	5	(14N)2(17O)	45.005	0.000369
5	:CO	1	(12C)(16O)	27.995	0.98654
5	:CO	2	(13C)(16O)	28.998	0.01108
5	:CO	3	(12C)(18O)	29.999	0.0019782
5	:CO	4	(12C)(17O)	28.999	0.000368
5	:CO	5	(13C)(18O)	31.003	2.222e-5
5	:CO	6	(13C)(17O)	30.002	4.13e-6
6	:CH4	1	(12C)H4	16.031	0.98827
6	:CH4	2	(13C)H4	17.035	0.0111
6	:CH4	3	(12C)H3D	17.037	0.00061575
6	:CH4	4	(13C)H3D	18.041	4.9203e-6
7	:O2	1	(16O)2	31.99	0.99526
7	:O2	2	(16O)(18O)	33.994	0.0039914
7	:O2	3	(16O)(17O)	32.994	0.000742
8	:NO	1	(14N)(16O)	29.998	0.99397
8	:NO	2	(15N)(16O)	30.995	0.0036543
8	:NO	3	(14N)(18O)	32.002	0.0019931
9	:SO2	1	(32S)(16O)2	63.962	0.94568
9	:SO2	2	(34S)(16O)2	65.958	0.04195
9	:SO2	3	(33S)(16O)2	—	—
9	:SO2	4	(16O)(32S)(18O)	—	—
10	:NO2	1	(14N)(16O)2	45.993	0.99162
10	:NO2	2	(15N)(16O)2	—	—
10	:NO2	3	(14N)(16O)(18O)	—	—
11	:NH3	1	(14N)H3	17.027	0.99587
11	:NH3	2	(15N)H3	18.024	0.0036613
12	:HNO3	1	H(14N)(16O)3	62.996	0.98911
12	:HNO3	2	H(15N)(16O)3	63.993	0.003636
13	:OH	1	(16O)H	17.003	0.99747
13	:OH	2	(18O)H	19.007	0.0020001
13	:OH	3	(16O)D	18.009	0.00015537
14	:HF	1	H(19F)	20.006	0.99984
14	:HF	2	D(19F)	21.013	0.000115
15	:HCl	1	H(35Cl)	35.977	0.75759
15	:HCl	2	H(37Cl)	37.974	0.24226
15	:HCl	3	D(35Cl)	36.983	0.00011801
15	:HCl	4	D(37Cl)	38.98	3.7735e-5
16	:HBr	1	H(79Br)	79.926	0.50678
16	:HBr	2	H(81Br)	81.924	0.49306
16	:HBr	3	D(79Br)	80.932	5.8293e-5
16	:HBr	4	D(81Br)	82.93	5.6706e-5
17	:HI	1	H(127I)	127.91	0.99984
17	:HI	2	D(127I)	128.92	0.000115
18	:ClO	1	(35Cl)(16O)	50.964	0.75591
18	:ClO	2	(37Cl)(16O)	52.961	0.24172
19	:OCS	1	(16O)(12C)(32S)	59.967	0.93739
19	:OCS	2	(16O)(12C)(34S)	61.963	0.04158
19	:OCS	3	(16O)(13C)(32S)	60.97	0.01053
19	:OCS	4	(16O)(12C)(33S)	60.966	0.01053
19	:OCS	5	(18O)(12C)(32S)	61.971	0.00188
19	:OCS	6	(16O)(13C)(34S)	—	—
20	:H2CO	1	H2(12C)(16O)	30.011	0.98624
20	:H2CO	2	H2(13C)(16O)	31.014	0.01108
20	:H2CO	3	H2(12C)(18O)	32.015	0.0019776
21	:HOCl	1	H(16O)(35Cl)	51.972	0.75579
21	:HOCl	2	H(16O)(37Cl)	53.969	0.24168
22	:N2	1	(14N)2	28.006	0.99269
22	:N2	2	(14N)(15N)	29.998	0.0072535
23	:HCN	1	H(12C)(14N)	27.011	0.98511
23	:HCN	2	H(13C)(14N)	28.014	0.01107
23	:HCN	3	H(12C)(15N)	28.008	0.0036217
24	:CH3Cl	1	(12C)H3(35Cl)	49.992	0.74894
24	:CH3Cl	2	(12C)H3(37Cl)	51.989	0.23949
25	:H2O2	1	H2(16O)2	34.005	0.99495
26	:C2H2	1	(12C)2H2	26.016	0.9776
26	:C2H2	2	(12C)(13C)H2	27.019	0.02197
26	:C2H2	3	(12C)2HD	27.022	0.00030455
27	:C2H6	1	(12C)2H6	30.047	0.97699
27	:C2H6	2	(12C)H3(13C)H3	31.05	0.021953
28	:PH3	1	(31P)H3	33.997	0.99953
29	:COF2	1	(12C)(16O)(19F)2	65.992	0.98654
29	:COF2	2	(13C)(16O)(19F)2	66.995	0.011083
30	:SF6	1	(32S)(19F)6	—	—
31	:H2S	1	H2(32S)	33.988	0.94988
31	:H2S	2	H2(34S)	35.984	0.04214
31	:H2S	3	H2(33S)	34.987	0.007498
32	:HCOOH	1	H(12C)(16O)(16O)H	46.005	0.9839
32	:HCOOH	2	H(13C)(16O)(16O)H	—	—
33	:HO2	1	H(16O)2	32.998	0.99511
34	:O	1	(16O)	15.995	0.99763
35	:ClONO2	1	(35Cl)(16O)(14N)(16O)2	—	—
35	:ClONO2	2	(37Cl)(16O)(14N)(16O)2	—	—
36	:NOp	1	(14N)(16O)+	29.998	0.99397
37	:HOBr	1	H(16O)(79Br)	95.921	0.5056
37	:HOBr	2	H(16O)(81Br)	97.919	0.4919
38	:C2H4	1	(12C)2H4	28.031	0.9773
38	:C2H4	2	(12C)H2(13C)H2	29.035	0.02196
39	:CH3OH	1	(12C)H3(16O)H	32.026	0.98593
40	:CH3Br	1	(12C)H3(79Br)	93.942	0.5013
40	:CH3Br	2	(12C)H3(81Br)	95.94	0.48766
41	:CH3CN	1	(12C)H3(12C)(14N)	41.027	0.97482
42	:CF4	1	(12C)(19F)4	—	—
43	:C4H2	1	(12C)4H2	50.016	0.956
44	:HC3N	1	H(12C)3(14N)	51.011	0.96461
45	:H2	1	H2	2.0157	0.99969
45	:H2	2	HD	3.0218	0.00031143
46	:CS	1	(12C)(32S)	43.971	0.93962
46	:CS	2	(12C)(34S)	45.967	0.041682
46	:CS	3	(13C)(32S)	44.974	0.010557
46	:CS	4	(12C)(33S)	44.97	0.0074167
47	:SO3	1	(32S)(16O)3	79.957	0.9424
48	:C2N2	1	(12C)2(14N)2	52.006	0.97075
49	:COCl2	1	(12C)(16O)(35Cl)2	97.933	0.56639
49	:COCl2	2	(12C)(16O)(35Cl)(37Cl)	99.93	0.36224
50	:SO	1	(32S)(16O)	—	—
50	:SO	2	(34S)(16O)	—	—
50	:SO	3	(32S)(18O)	—	—
51	:CH3F	1	(12C)H3(19F)	—	—
51	:CH3F	2	(13C)H3(19F)	—	—
52	:GeH4	1	(74Ge)H4	—	—
52	:GeH4	2	(72Ge)H4	—	—
52	:GeH4	3	(70Ge)H4	—	—
52	:GeH4	4	(73Ge)H4	—	—
52	:GeH4	5	(76Ge)H4	—	—
53	:CS2	1	(12C)(32S)2	—	—
53	:CS2	2	(32S)(12C)(34S)	—	—
53	:CS2	3	(32S)(12C)(33S)	—	—
53	:CS2	4	(13C)(32S)2	—	—
54	:CH3I	1	(12C)H3(127I)	—	—
55	:NF3	1	(14N)(19F)3	—	—
56	:H3p	1	H3+	—	—
57	:CH3	1	(12C)H3	—	—
58	:S2	1	(32S)2	—	—
59	:COFCl	1	(12C)(16O)(19F)(35Cl)	—	—
59	:COFCl	2	(12C)(16O)(19F)(37Cl)	—	—
60	:HONO	1	H(16O)(14N)(16O)	—	—
61	:ClNO2	1	(35Cl)(14N)(16O)2	—	—
61	:ClNO2	2	(37Cl)(14N)(16O)2	—	—