NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3078	3.249	28.4	A	0.958
3078	3.249	43.2	A	0.958
3077	3.249	83.7	A	0.958
3077	3.25	67.2	A	0.958
3077	3.25	12.3	A	0.958
3061	3.267	2.9	A	0.958
3060	3.268	5.87	A	0.958
3060	3.268	2.79	A	0.958
3060	3.268	6.65	A	0.958
3059	3.269	18.2	A	0.958
3059	3.269	0.673	A	0.958
3058	3.27	28.7	A	0.958
3058	3.271	29.6	A	0.958
3056	3.272	4.46	A	0.958
3056	3.272	21.1	A	0.958
3056	3.272	3.52	A	0.958
3055	3.273	0.126	A	0.958
3055	3.273	1.03	A	0.958
3041	3.288	7.97	A	0.958
3025	3.306	3.75	A	0.958
1659	6.029	17	A	0.958
1630	6.135	62.7	A	0.958
1606	6.229	2.9	A	0.958
1599	6.255	61.4	A	0.958
1597	6.263	9.07	A	0.958
1584	6.313	88.2	A	0.958
1583	6.316	40.6	A	0.958
1580	6.329	9.25	A	0.958
1576	6.346	37.9	A	0.958
1573	6.355	45.9	A	0.958
1565	6.389	18.8	A	0.958
1559	6.415	18.4	A	0.958
1555	6.429	11.3	A	0.958
1547	6.464	23.3	A	0.958
1538	6.501	3.98	A	0.958
1531	6.532	7.9	A	0.958
1521	6.574	7.97	A	0.958
1516	6.595	29.4	A	0.958
1508	6.633	38.7	A	0.958
1503	6.655	16.3	A	0.958
1493	6.699	35.5	A	0.958
1486	6.731	9.29	A	0.958
1478	6.766	4.3	A	0.958
1477	6.773	55.7	A	0.958
1471	6.8	22.2	A	0.958
1469	6.805	19.9	A	0.958
1468	6.813	34.5	A	0.958
1459	6.856	89.9	A	0.958
1454	6.879	16.5	A	0.958
1449	6.902	34.3	A	0.958
1444	6.926	6.93	A	0.958
1440	6.946	9.16	A	0.958
1438	6.952	15.5	A	0.958
1433	6.979	5.83	A	0.958
1429	6.997	0.365	A	0.958
1425	7.016	14.9	A	0.958
1419	7.046	11.1	A	0.958
1415	7.066	13.5	A	0.958
1408	7.104	1.28	A	0.958
1406	7.113	3.65	A	0.958
1400	7.141	4.26	A	0.958
1399	7.145	2.56	A	0.958
1393	7.18	13.9	A	0.958
1386	7.217	2.16	A	0.958
1383	7.23	5.65	A	0.958
1380	7.245	11.5	A	0.958
1376	7.265	0.348	A	0.958
1370	7.298	8.09	A	0.958
1368	7.308	2.74	A	0.958
1361	7.346	1.38	A	0.958
1360	7.355	13.9	A	0.958
1355	7.381	18.4	A	0.958
1344	7.441	9.88	A	0.958
1342	7.451	13.3	A	0.958
1341	7.455	51.3	A	0.958
1335	7.493	21.8	A	0.958
1331	7.514	91.9	A	0.958
1324	7.555	62.4	A	0.958
1315	7.605	61.6	A	0.958
1314	7.609	246	A	0.958
1308	7.647	62.3	A	0.958
1301	7.687	0.411	A	0.958
1289	7.758	78.1	A	0.958
1280	7.811	59.6	A	0.958
1279	7.817	30.3	A	0.958
1276	7.837	26.7	A	0.958
1269	7.878	109	A	0.958
1266	7.896	8.94	A	0.958
1260	7.933	70.2	A	0.958
1251	7.993	34.4	A	0.958
1250	7.999	25.8	A	0.958
1223	8.175	1.31	A	0.958
1217	8.215	21	A	0.958
1214	8.235	3.59	A	0.958
1201	8.326	48.5	A	0.958
1198	8.347	5.59	A	0.958
1189	8.414	82.7	A	0.958
1185	8.442	36.8	A	0.958
1179	8.484	76.9	A	0.958
1172	8.536	25.1	A	0.958
1167	8.565	35.8	A	0.958
1160	8.624	7.08	A	0.958
1157	8.641	21	A	0.958
1149	8.704	4.04	A	0.958
1144	8.745	0.857	A	0.958
1133	8.825	2.05	A	0.958
1132	8.832	13.8	A	0.958
1104	9.062	3.48	A	0.958
1090	9.171	1.03	A	0.958
1080	9.258	29.8	A	0.958
1058	9.451	17.1	A	0.958
1047	9.552	17.5	A	0.958
1033	9.68	3.3	A	0.958
1017	9.83	15.6	A	0.958
1012	9.882	0.596	A	0.958
1009	9.913	3.6	A	0.958
992.2	10.08	2.27	A	0.958
987.6	10.13	0.0001	A	0.958
985.4	10.15	0.0078	A	0.958
984.8	10.15	0.0203	A	0.958
983.8	10.16	2.49	A	0.958
982.7	10.18	0.0201	A	0.958
979	10.21	9.87	A	0.958
970.2	10.31	12.4	A	0.958
964.4	10.37	0.201	A	0.958
953.8	10.48	0.668	A	0.958
924.7	10.81	84	A	0.958
920.6	10.86	5.06	A	0.958
914.9	10.93	92.6	A	0.958
908.9	11	0.281	A	0.958
901.6	11.09	11.4	A	0.958
899.6	11.12	22.7	A	0.958
898.7	11.13	1.89	A	0.958
887.1	11.27	4.99	A	0.958
880.2	11.36	0.62	A	0.958
877.4	11.4	0.608	A	0.958
867	11.53	2.99	A	0.958
853.2	11.72	10.2	A	0.958
848.2	11.79	4.39	A	0.958
835.8	11.96	7.03	A	0.958
833.1	12	0.0599	A	0.958
820.6	12.19	4.28	A	0.958
819.9	12.2	0.837	A	0.958
813.6	12.29	1	A	0.958
808.9	12.36	6.26	A	0.958
800.7	12.49	5.5	A	0.958
795.7	12.57	3.33	A	0.958
793	12.61	42.7	A	0.958
790.3	12.65	0.248	A	0.958
782.4	12.78	4.78	A	0.958
780.1	12.82	0.311	A	0.958
776.1	12.89	1.05	A	0.958
773.6	12.93	3.83	A	0.958
772.3	12.95	8.83	A	0.958
771.1	12.97	0.479	A	0.958
765.4	13.07	1.5	A	0.958
764.7	13.08	2.84	A	0.958
760.9	13.14	9.15	A	0.958
745.6	13.41	3.47	A	0.958
741.5	13.49	0.113	A	0.958
739.8	13.52	0.108	A	0.958
730.6	13.69	0.204	A	0.958
716.1	13.96	0.21	A	0.958
715.7	13.97	2.17	A	0.958
707.7	14.13	1.09	A	0.958
705.8	14.17	9.6	A	0.958
700.4	14.28	0.556	A	0.958
690.2	14.49	0.667	A	0.958
687.6	14.54	0.553	A	0.958
686	14.58	0.735	A	0.958
679.1	14.72	1.31	A	0.958
675.5	14.8	0.834	A	0.958
673.8	14.84	4.26	A	0.958
657.5	15.21	1.91	A	0.958
652	15.34	0.318	A	0.958
644.1	15.53	0.264	A	0.958
641.5	15.59	0.403	A	0.958
637.6	15.68	0.0409	A	0.958
629.9	15.87	2.33	A	0.958
620.5	16.12	0.0083	A	0.958
614.7	16.27	1.44	A	0.958
607.4	16.46	0.6	A	0.958
603.5	16.57	9.25	A	0.958
600.6	16.65	0.355	A	0.958
597.8	16.73	0.373	A	0.958
597	16.75	0.2	A	0.958
593.6	16.85	0.0415	A	0.958
588.5	16.99	3.22	A	0.958
583.1	17.15	0.497	A	0.958
569.1	17.57	0.21	A	0.958
567.4	17.62	7.07	A	0.958
560.1	17.85	10.8	A	0.958
557.8	17.93	0.114	A	0.958
550.1	18.18	0.178	A	0.958
549	18.21	1.21	A	0.958
543.6	18.4	0.0388	A	0.958
543.3	18.41	0.231	A	0.958
534.2	18.72	0.514	A	0.958
526.7	18.99	0.602	A	0.958
514.5	19.44	0.0095	A	0.958
513.1	19.49	2.8	A	0.958
502.9	19.89	0.0221	A	0.958
489.8	20.42	0.471	A	0.958
485.8	20.58	0.769	A	0.958
485.2	20.61	3.09	A	0.958
481.2	20.78	0.0419	A	0.958
473.6	21.12	0.68	A	0.958
453.5	22.05	0.0028	A	0.958
434.6	23.01	1.54	A	0.958
423.4	23.62	0.0122	A	0.958
421.4	23.73	0.0994	A	0.958
417.9	23.93	0.299	A	0.958
412.3	24.26	0.0632	A	0.958
404.8	24.71	0.516	A	0.958
403.2	24.8	0.368	A	0.958
396.5	25.22	0.0108	A	0.958
392.9	25.45	1.26	A	0.958
379.1	26.38	1.1	A	0.958
363.8	27.49	0.8	A	0.958
357.4	27.98	0.0608	A	0.958
354.3	28.23	0.629	A	0.958
347.1	28.81	0.666	A	0.958
330.1	30.29	0.79	A	0.958
329.5	30.35	0.155	A	0.958
317.2	31.52	0.534	A	0.958
311.6	32.09	1.24	A	0.958
311.3	32.13	0.34	A	0.958
301	33.22	0.0586	A	0.958
292.9	34.14	0.0837	A	0.958
268.3	37.27	0.0759	A	0.958
266	37.6	0.0902	A	0.958
259.8	38.49	8.88	A	0.958
252.2	39.64	0.387	A	0.958
240.7	41.55	0.385	A	0.958
233.8	42.77	0.0551	A	0.958
228.8	43.71	0.801	A	0.958
225.6	44.33	1.58	A	0.958
218	45.86	2.46	A	0.958
202.6	49.36	4.32	A	0.958
183	54.66	0.157	A	0.958
181.2	55.18	0.567	A	0.958
165.7	60.36	0.97	A	0.958
155.2	64.45	1.61	A	0.958
133.5	74.93	0.0002	A	0.958
114.6	87.27	0.381	A	0.958
112	89.28	0.239	A	0.958
86.32	115.8	0.0057	A	0.958
78.53	127.3	0.0907	A	0.958
66.54	150.3	0.0032	A	0.958
42.32	236.3	0.208	A	0.958
38.6	259.1	0.0001	A	0.958
13.6	735.3	3.71	A	0.958

Vibrations

Note(s):

C66h20 7_5 defect site 2 aromatic c-OV-d3+

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

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, 282, 7, 2025 10.3847/1538-4365/ae1c38 — 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
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