NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3064	3.264	69.17	?A	0.958
3063	3.265	104.6	?A	0.958
3060	3.268	6.579	?A	0.958
3044	3.285	4.503	?A	0.958
3042	3.287	1.035	?A	0.958
3041	3.288	54.74	?A	0.958
3039	3.29	2.532	?A	0.958
3039	3.291	7.622	?A	0.958
2930	3.412	58.55	?A	0.958
2929	3.415	22	?A	0.958
2840	3.521	69.53	?A	0.958
2827	3.537	38.49	?A	0.958
2800	3.572	77.78	?A	0.958
2799	3.572	127.2	?A	0.958
2774	3.604	34.14	?A	0.958
2773	3.606	113.9	?A	0.958
1630	6.135	97.81	?A	0.958
1619	6.175	0.4714	?A	0.958
1613	6.199	0.0966	?A	0.958
1591	6.287	0.4332	?A	0.958
1574	6.355	0.2376	?A	0.958
1557	6.423	0.8507	?A	0.958
1542	6.485	40.61	?A	0.958
1507	6.634	2.738	?A	0.958
1488	6.72	0.1287	?A	0.958
1463	6.833	2.803	?A	0.958
1458	6.859	1.238	?A	0.958
1456	6.868	0.9922	?A	0.958
1439	6.947	0.3719	?A	0.958
1437	6.958	1.337	?A	0.958
1431	6.99	0.0859	?A	0.958
1421	7.036	0.6275	?A	0.958
1410	7.094	0.3493	?A	0.958
1394	7.174	0.7266	?A	0.958
1373	7.285	39.34	?A	0.958
1370	7.301	1.085	?A	0.958
1358	7.364	4.987	?A	0.958
1349	7.414	0.1752	?A	0.958
1332	7.51	11.12	?A	0.958
1325	7.545	2.528	?A	0.958
1316	7.599	13.56	?A	0.958
1280	7.813	28.52	?A	0.958
1267	7.893	0.1597	?A	0.958
1241	8.059	1.265	?A	0.958
1237	8.087	8.294	?A	0.958
1226	8.16	2.522	?A	0.958
1219	8.204	0.9324	?A	0.958
1198	8.347	1.9	?A	0.958
1192	8.39	0.5165	?A	0.958
1178	8.486	1.114	?A	0.958
1159	8.63	4.193	?A	0.958
1156	8.654	0.1658	?A	0.958
1144	8.739	3.363	?A	0.958
1135	8.811	1.657	?A	0.958
1130	8.848	0.0135	?A	0.958
1108	9.028	2.032	?A	0.958
1098	9.11	4.368	?A	0.958
1054	9.491	5.459	?A	0.958
1026	9.747	1.332	?A	0.958
1015	9.851	40.01	?A	0.958
973.3	10.27	0.079	?A	0.958
970.7	10.3	0.2543	?A	0.958
963.4	10.38	0.5541	?A	0.958
961.5	10.4	3.718	?A	0.958
951.4	10.51	14.43	?A	0.958
940.7	10.63	0.6053	?A	0.958
936.7	10.68	7.535	?A	0.958
930.2	10.75	0.01	?A	0.958
920.8	10.86	0.03	?A	0.958
907.2	11.02	0.0168	?A	0.958
855.1	11.69	107	?A	0.958
822.4	12.16	0.255	?A	0.958
807.8	12.38	18.43	?A	0.958
791.8	12.63	26.05	?A	0.958
787.9	12.69	0.0001	?A	0.958
767.6	13.03	3.819	?A	0.958
766.3	13.05	0.0081	?A	0.958
760.4	13.15	9.914	?A	0.958
751.7	13.3	0.7535	?A	0.958
747	13.39	0.3583	?A	0.958
725.2	13.79	1.412	?A	0.958
702.8	14.23	0.5455	?A	0.958
697.2	14.34	0.2186	?A	0.958
666.8	15	5.084	?A	0.958
650.2	15.38	1.545	?A	0.958
624.1	16.02	0	?A	0.958
612.7	16.32	2.832	?A	0.958
602.3	16.6	2.366	?A	0.958
557.2	17.95	0.177	?A	0.958
553.5	18.07	2.39	?A	0.958
527.8	18.95	0.6988	?A	0.958
509	19.65	6.814	?A	0.958
482.1	20.74	0.5986	?A	0.958
470.5	21.25	0.0207	?A	0.958
467.2	21.41	5.545	?A	0.958
462.8	21.61	0.331	?A	0.958
449.7	22.24	0.0305	?A	0.958
440.3	22.71	2.885	?A	0.958
364.5	27.44	0.1087	?A	0.958
363.6	27.5	15.62	?A	0.958
351	28.49	0.0163	?A	0.958
346.9	28.83	7.874	?A	0.958
338.2	29.57	1.132	?A	0.958
338.1	29.57	2.178	?A	0.958
293.5	34.08	0.0044	?A	0.958
269.6	37.09	0.3727	?A	0.958
262.9	38.03	0.4823	?A	0.958
219	45.67	3.554	?A	0.958
198.4	50.41	0.0258	?A	0.958
154.1	64.89	0.0074	?A	0.958
120.5	83.01	3.908	?A	0.958
118.6	84.34	1.162	?A	0.958
78.12	128	0.0516	?A	0.958
59.21	168.9	0.0161	?A	0.958

Vibrations

Note(s):

Coronene with 4 extra Hs a position [c+4Ha breaks symmetry]

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

C.W. Bauschlicher, Jr., A. Ricca, C. Boersma, L.J. Allamandola, "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
C. Boersma, C.W. Bauschlicher, Jr., A. Ricca, A.L. Mattioda, J. Cami, E. Peeters, F. Sánchez de Armas, G. Puerta Saborido, D.M. Hudgins, and L.J. Allamandola, "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