NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3081	3.246	28.76	?A	0.958
3079	3.247	49.09	?A	0.958
3079	3.248	5.817	?A	0.958
3078	3.248	49.4	?A	0.958
3077	3.25	22.52	?A	0.958
3063	3.265	1.327	?A	0.958
3062	3.266	0.835	?A	0.958
3061	3.266	3.712	?A	0.958
3061	3.267	4.806	?A	0.958
3060	3.268	5.368	?A	0.958
3060	3.268	7.592	?A	0.958
3059	3.269	6.08	?A	0.958
3058	3.27	3.514	?A	0.958
3057	3.271	16.21	?A	0.958
3053	3.275	15.89	?A	0.958
2964	3.374	46.41	?A	0.958
2964	3.374	11.32	?A	0.958
2897	3.452	0.8453	?A	0.958
2893	3.457	24.74	?A	0.958
2881	3.471	14.2	?A	0.958
2876	3.477	0.445	?A	0.958
1610	6.211	36.14	?A	0.958
1601	6.245	56.84	?A	0.958
1596	6.266	29.46	?A	0.958
1591	6.284	2.755	?A	0.958
1584	6.313	119.1	?A	0.958
1582	6.321	62.2	?A	0.958
1576	6.344	308.3	?A	0.958
1568	6.376	4.497	?A	0.958
1565	6.392	36.15	?A	0.958
1562	6.402	92.17	?A	0.958
1553	6.441	26.92	?A	0.958
1544	6.478	134.7	?A	0.958
1533	6.523	1.736	?A	0.958
1515	6.602	51.92	?A	0.958
1509	6.629	18.85	?A	0.958
1504	6.651	5.028	?A	0.958
1492	6.701	20.81	?A	0.958
1486	6.728	0.3336	?A	0.958
1474	6.785	1.964	?A	0.958
1469	6.809	1.633	?A	0.958
1466	6.822	4.464	?A	0.958
1462	6.838	12.82	?A	0.958
1462	6.842	2.427	?A	0.958
1458	6.858	3.381	?A	0.958
1452	6.889	1.292	?A	0.958
1448	6.907	13.68	?A	0.958
1437	6.96	12.73	?A	0.958
1430	6.991	7.628	?A	0.958
1423	7.028	1.083	?A	0.958
1419	7.049	10.87	?A	0.958
1413	7.079	8.041	?A	0.958
1412	7.083	8.305	?A	0.958
1401	7.137	21.23	?A	0.958
1397	7.158	1.145	?A	0.958
1393	7.176	3.345	?A	0.958
1388	7.206	13.07	?A	0.958
1386	7.213	13.59	?A	0.958
1383	7.233	0.7483	?A	0.958
1375	7.272	14.94	?A	0.958
1374	7.276	4.773	?A	0.958
1366	7.32	8.227	?A	0.958
1365	7.328	16.85	?A	0.958
1360	7.352	22.8	?A	0.958
1359	7.36	11.34	?A	0.958
1357	7.37	14.98	?A	0.958
1347	7.424	89.08	?A	0.958
1339	7.469	5.619	?A	0.958
1335	7.492	43.82	?A	0.958
1329	7.524	199.5	?A	0.958
1320	7.577	165.6	?A	0.958
1317	7.594	11.26	?A	0.958
1316	7.598	142.4	?A	0.958
1307	7.653	29.8	?A	0.958
1300	7.694	33.78	?A	0.958
1283	7.794	16.78	?A	0.958
1279	7.816	82.43	?A	0.958
1278	7.827	63.59	?A	0.958
1270	7.871	4.312	?A	0.958
1260	7.935	138.9	?A	0.958
1251	7.992	73.94	?A	0.958
1236	8.092	39.99	?A	0.958
1231	8.122	1.744	?A	0.958
1221	8.187	5.918	?A	0.958
1212	8.248	0.4687	?A	0.958
1202	8.32	44.04	?A	0.958
1198	8.349	4.769	?A	0.958
1196	8.361	0.0064	?A	0.958
1195	8.367	27.48	?A	0.958
1192	8.389	23.52	?A	0.958
1188	8.42	122.9	?A	0.958
1182	8.462	17.48	?A	0.958
1179	8.485	15.28	?A	0.958
1176	8.501	5.925	?A	0.958
1171	8.543	15.07	?A	0.958
1153	8.671	3.527	?A	0.958
1144	8.741	3.588	?A	0.958
1117	8.951	4.112	?A	0.958
1110	9.011	0.8787	?A	0.958
1101	9.079	7.016	?A	0.958
1095	9.133	5.509	?A	0.958
1080	9.257	0.2814	?A	0.958
1034	9.667	3.104	?A	0.958
1026	9.746	4.115	?A	0.958
1005	9.953	2.565	?A	0.958
998.6	10.01	0.6132	?A	0.958
989.5	10.11	1.788	?A	0.958
988.5	10.12	0.0164	?A	0.958
987.7	10.12	0.0918	?A	0.958
984.2	10.16	0.1927	?A	0.958
983.2	10.17	0.016	?A	0.958
981.2	10.19	0.1521	?A	0.958
980.8	10.2	0.0103	?A	0.958
976.8	10.24	15.26	?A	0.958
962.7	10.39	0.1223	?A	0.958
930.8	10.74	2.593	?A	0.958
927.6	10.78	76.32	?A	0.958
916.2	10.92	70.31	?A	0.958
914	10.94	6.114	?A	0.958
905.7	11.04	12.59	?A	0.958
900.9	11.1	3.054	?A	0.958
896.5	11.15	0.4426	?A	0.958
888.9	11.25	0.773	?A	0.958
863.3	11.58	1.26	?A	0.958
846.9	11.81	0.4855	?A	0.958
836.1	11.96	3.662	?A	0.958
830.9	12.04	1.577	?A	0.958
829.9	12.05	0.4622	?A	0.958
823.9	12.14	0.562	?A	0.958
822.6	12.16	4.165	?A	0.958
815.2	12.27	0.2643	?A	0.958
808.8	12.36	2.089	?A	0.958
802.9	12.45	17.28	?A	0.958
795.7	12.57	4.722	?A	0.958
794.7	12.58	21.08	?A	0.958
781.2	12.8	2.043	?A	0.958
773.4	12.93	0.4707	?A	0.958
772.6	12.94	0.1109	?A	0.958
769.9	12.99	0.3208	?A	0.958
760.3	13.15	0.0631	?A	0.958
751.9	13.3	7.199	?A	0.958
751	13.32	3.338	?A	0.958
746.7	13.39	0.1521	?A	0.958
740.2	13.51	0.6407	?A	0.958
730.5	13.69	3.483	?A	0.958
726.2	13.77	3.002	?A	0.958
714.1	14	3.993	?A	0.958
703.6	14.21	0.4361	?A	0.958
698.6	14.31	0.1164	?A	0.958
689.5	14.5	1.644	?A	0.958
679.7	14.71	1.814	?A	0.958
671.2	14.9	0.3494	?A	0.958
654.6	15.28	1.951	?A	0.958
653.8	15.3	0.2074	?A	0.958
644.8	15.51	0.8144	?A	0.958
634.4	15.76	1.492	?A	0.958
624.3	16.02	0.5374	?A	0.958
623.6	16.04	0.1789	?A	0.958
617.4	16.2	3.477	?A	0.958
615.2	16.25	0.1541	?A	0.958
610.4	16.38	0.5573	?A	0.958
607.8	16.45	0.5803	?A	0.958
592.6	16.88	0.6264	?A	0.958
590.1	16.95	2.209	?A	0.958
586.3	17.06	2.205	?A	0.958
579.8	17.25	3.468	?A	0.958
569	17.58	2.462	?A	0.958
560.8	17.83	9.187	?A	0.958
557.5	17.94	0.0117	?A	0.958
554.9	18.02	0.1754	?A	0.958
548.4	18.23	0.282	?A	0.958
538.8	18.56	2.989	?A	0.958
533.4	18.75	0.8165	?A	0.958
531.9	18.8	2.513	?A	0.958
524.1	19.08	1.063	?A	0.958
514.5	19.44	0.7528	?A	0.958
501.3	19.95	2.265	?A	0.958
497.8	20.09	1.336	?A	0.958
489.7	20.42	0.1388	?A	0.958
482	20.75	1.511	?A	0.958
466.9	21.42	0.2854	?A	0.958
462.4	21.63	0.0121	?A	0.958
451.8	22.13	0.3195	?A	0.958
442.9	22.58	0.0252	?A	0.958
414.7	24.11	0.7884	?A	0.958
394.5	25.35	0.5372	?A	0.958
385.3	25.95	0.3229	?A	0.958
384.7	26	0.0855	?A	0.958
379.4	26.36	0.2755	?A	0.958
371.3	26.93	0.1427	?A	0.958
370	27.03	0.3106	?A	0.958
363.4	27.52	0.3965	?A	0.958
362.3	27.6	0.4912	?A	0.958
344	29.07	0.2019	?A	0.958
339.3	29.47	0.0525	?A	0.958
321.5	31.11	0.306	?A	0.958
316.4	31.6	0.069	?A	0.958
313.1	31.94	0.5915	?A	0.958
277.6	36.02	0.2767	?A	0.958
266	37.59	3.592	?A	0.958
260.9	38.33	3.647	?A	0.958
256	39.06	6.546	?A	0.958
249.6	40.06	4.838	?A	0.958
247.9	40.34	3.355	?A	0.958
244.2	40.95	1.156	?A	0.958
223.8	44.69	0.1156	?A	0.958
222.8	44.89	1.581	?A	0.958
212.7	47.01	1.349	?A	0.958
188.7	52.99	0.4198	?A	0.958
169.9	58.85	1.393	?A	0.958
133.6	74.86	0.0474	?A	0.958
127.5	78.45	0.01	?A	0.958
125.8	79.48	0.04	?A	0.958
114.5	87.34	0.771	?A	0.958
79.7	125.5	1.539	?A	0.958
69.59	143.7	0.022	?A	0.958
55.76	179.3	3.952	?A	0.958
36.37	275	0.0079	?A	0.958
33.68	296.9	0.1304	?A	0.958

Vibrations

Note(s):

Circumcoronene with 3 hydrogens

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