NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3103	3.223	0.014	A₁	0.958
3102	3.224	78.75	B₂	0.958
3096	3.23	23.74	B₁	0.958
3096	3.23	0	A₂	0.958
3073	3.255	0.0111	A₁	0.958
3071	3.256	54.55	B₁	0.958
3070	3.258	23.7	B₂	0.958
3069	3.259	0	A₂	0.958
3067	3.261	0.0268	A₁	0.958
3066	3.261	513.7	B₁	0.958
3048	3.281	152.1	B₂	0.958
3048	3.281	0	A₂	0.958
3039	3.29	0.0305	A₁	0.958
3039	3.291	128.8	B₂	0.958
3034	3.296	11.42	B₁	0.958
3034	3.296	0.0026	A₁	0.958
3026	3.304	0	A₂	0.958
3026	3.305	1.155	B₂	0.958
1563	6.396	0	A₂	0.958
1561	6.405	0.0224	A₁	0.958
1560	6.411	31.98	B₂	0.958
1553	6.44	0.4369	B₂	0.958
1547	6.465	0	A₂	0.958
1533	6.522	106.1	B₁	0.958
1530	6.536	0.0169	A₁	0.958
1523	6.565	1122	B₁	0.958
1522	6.572	0	A₂	0.958
1493	6.698	0.0183	A₁	0.958
1481	6.751	375	B₂	0.958
1474	6.783	17.92	B₁	0.958
1472	6.792	0	A₂	0.958
1459	6.852	0.0006	A₁	0.958
1446	6.913	31.63	B₂	0.958
1439	6.947	90.08	B₁	0.958
1425	7.02	0	A₂	0.958
1418	7.052	21.64	B₁	0.958
1399	7.148	0.0088	A₁	0.958
1388	7.205	33.74	B₂	0.958
1375	7.272	0.0298	A₁	0.958
1364	7.329	1284	B₁	0.958
1356	7.373	0.0068	A₁	0.958
1356	7.373	0	A₂	0.958
1344	7.443	960.6	B₁	0.958
1328	7.533	43.98	B₁	0.958
1313	7.615	0.0056	A₁	0.958
1304	7.668	149.1	B₂	0.958
1303	7.675	0	A₂	0.958
1297	7.71	0	A₂	0.958
1292	7.741	64.26	B₂	0.958
1272	7.862	0	A₂	0.958
1259	7.945	529.9	B₁	0.958
1258	7.948	0.001	A₁	0.958
1233	8.11	5.03	B₂	0.958
1230	8.129	138.5	B₁	0.958
1228	8.142	0.0011	A₁	0.958
1218	8.213	0	A₂	0.958
1204	8.303	98.4	B₂	0.958
1185	8.44	0	A₂	0.958
1182	8.462	24.88	B₁	0.958
1162	8.608	0	A₁	0.958
1160	8.622	186.5	B₁	0.958
1124	8.898	0	A₂	0.958
1118	8.941	0.6071	B₂	0.958
1109	9.016	55.34	B₂	0.958
1099	9.103	0.0046	A₁	0.958
1079	9.271	42.54	B₁	0.958
1050	9.525	0	A₂	0.958
1027	9.737	0.0008	A₁	0.958
1019	9.809	41.29	B₁	0.958
1016	9.841	0.0017	A₁	0.958
979.8	10.21	101.5	B₂	0.958
946.1	10.57	4.338	B₂	0.958
918.6	10.89	0.0448	B₂	0.958
917.6	10.9	0	A₂	0.958
917.2	10.9	0.0232	B₂	0.958
916.9	10.91	1.032	A₁	0.958
914.8	10.93	0	A₂	0.958
870.6	11.49	0.0204	B₁	0.958
870.4	11.49	14.74	A₁	0.958
865.6	11.55	0.3548	B₂	0.958
837.4	11.94	31.67	B₁	0.958
833.8	11.99	0	A₂	0.958
832.2	12.02	0.0307	B₂	0.958
816.2	12.25	0.0021	B₁	0.958
807.9	12.38	0	A₂	0.958
800.9	12.49	0.084	A₁	0.958
787.1	12.7	148.5	A₁	0.958
783.3	12.77	0.0514	B₂	0.958
778.3	12.85	0	A₂	0.958
777.9	12.86	0.1093	B₁	0.958
760.5	13.15	0.0405	B₂	0.958
757.7	13.2	13.56	B₁	0.958
755.6	13.23	0.4989	A₁	0.958
751.4	13.31	61.22	A₁	0.958
734.1	13.62	0.0088	B₂	0.958
726	13.77	0	A₂	0.958
716.5	13.96	0	A₂	0.958
706.7	14.15	23.57	A₁	0.958
705.8	14.17	0.0013	B₁	0.958
695.2	14.38	0.1717	B₂	0.958
682.9	14.64	0	A₂	0.958
664.8	15.04	0.1763	B₂	0.958
661.1	15.13	39.67	A₁	0.958
653.1	15.31	0.0535	B₂	0.958
644.4	15.52	0.002	A₁	0.958
632.6	15.81	0	A₂	0.958
627.4	15.94	11.68	B₁	0.958
587.6	17.02	0.007	A₁	0.958
585.9	17.07	0.0038	B₁	0.958
570.6	17.52	33.58	B₁	0.958
566.1	17.67	0	A₂	0.958
563	17.76	3.885	B₂	0.958
553.5	18.07	0	A₂	0.958
548.8	18.22	0	B₂	0.958
543.4	18.4	1.096	B₂	0.958
538.7	18.56	0.0051	B₂	0.958
495.2	20.19	1.597	A₁	0.958
491.2	20.36	0	A₂	0.958
451.8	22.13	10.27	A₁	0.958
451.8	22.14	0	A₂	0.958
446.9	22.38	0.0004	B₁	0.958
421.9	23.7	0.0004	A₁	0.958
417.2	23.97	113.3	B₁	0.958
405.2	24.68	0.351	A₁	0.958
390.7	25.59	0.4363	B₁	0.958
334	29.94	0.002	B₂	0.958
326.7	30.61	0	A₂	0.958
315.1	31.73	30.28	B₁	0.958
311.8	32.07	1.705	B₂	0.958
310.7	32.19	1.3	A₁	0.958
275.3	36.32	0.0251	B₁	0.958
221.4	45.17	0	A₂	0.958
217.9	45.9	0	A₁	0.958
209	47.85	0	B₂	0.958
172.8	57.88	0	A₂	0.958
167.4	59.73	0.0066	A₁	0.958
145.3	68.81	0	A₂	0.958
138.9	71.97	0	B₁	0.958
105.1	95.11	0.2531	B₂	0.958
72.81	137.3	0.9818	A₁	0.958
61.98	161.3	0.001	B₁	0.958
47.55	210.3	0.0001	B₂	0.958
34.69	288.3	0	A₂	0.958
3.192	3133	0.1118	A₁	0.958

Vibrations

Note(s):

NPN- BP86

You are kindly asked to consider the following references for citation when using the database:

Bauschlicher, Jr., C.W., Ricca, A., Boersma, C., Allamandola, L.J., "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: COMPUTATIONAL VERSION 3.00 WITH UPDATED CONTENT AND THE INTRODUCTION OF MULTIPLE SCALING FACTORS", The Astrophysical Journal Supplement Series, 234, 32, 2018 10.3847/1538-4365/aaa019 — BibTeX - RIS
Boersma, C., Bauschlicher, Jr., C.W., Ricca, A., Mattioda, A.L., Cami, J., Peeters, E., Sánchez de Armas, F., Puerta Saborido, G., Hudgins, D.M., Allamandola, L.J., "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE VERSION 2.00: UPDATED CONTENT, WEBSITE AND ON/OFFLINE TOOLS", The Astrophysical Journal Supplement Series, 211, 8, 2014 10.1088/0067-0049/211/1/8 — BibTeX - RIS
Mattioda, A.L., Hudgins, D. M., Boersma, C., Ricca, A., Peeters, E., Cami, J., Sánchez de Armas, F., Puerta Saborido, G., Bauschlicher, C.W., J., and Allamandola, L.J. "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: THE LABORATORY SPECTRA", The Astrophysical Journal Supplement Series, 251, 22, 2020 10.3847/1538-4365/abc2c8 — BibTeX - RIS
Ricca, A., Boersma, C., Maragkoudakis, A., Roser, J.E., Shannon, M.J., Allamandola, L.J., Bauschlicher Jr., C.W., "THE NASA AMES PAH IR SPECTROSCOPIC DATABASE: COMPUTATIONAL VERSION 4.00, SOFTWARE TOOLS, WEBSITE, AND DOCUMENTATION", The Astrophysical Journal Supplement Series, XXX, YYY, 2025 10.3847/1538-4365/ae1c38 — BibTeX - RIS