NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3049	3.28	160	A₁	0.958
3048	3.281	234.4	B₂	0.958
3048	3.281	68.94	A₁	0.958
3047	3.282	171.5	B₂	0.958
3045	3.284	138.9	A₁	0.958
3045	3.284	34.68	B₂	0.958
3031	3.299	12.52	A₁	0.958
3029	3.302	13.41	A₁	0.958
3029	3.302	3.954	B₂	0.958
3026	3.304	96.87	B₂	0.958
3026	3.305	18.49	A₁	0.958
3023	3.307	4.663	B₂	0.958
3023	3.308	1.697	A₁	0.958
3021	3.31	2.857	B₂	0.958
3021	3.31	0.3982	A₁	0.958
3014	3.318	97.39	A₁	0.958
3013	3.319	1.475	B₂	0.958
2815	3.552	52.95	B₁	0.958
2813	3.555	223.3	A₁	0.958
1613	6.2	0.5431	A₁	0.958
1607	6.223	0.0701	B₂	0.958
1595	6.269	15.79	A₁	0.958
1592	6.281	0.0032	B₂	0.958
1591	6.286	135.1	A₁	0.958
1583	6.315	249	A₁	0.958
1575	6.349	186.9	B₂	0.958
1572	6.362	27.8	B₂	0.958
1564	6.393	50.15	A₁	0.958
1560	6.411	77.8	A₁	0.958
1556	6.429	8.107	B₂	0.958
1550	6.45	43.22	A₁	0.958
1539	6.5	354.9	B₂	0.958
1522	6.572	15.38	B₂	0.958
1511	6.617	0.0824	A₁	0.958
1504	6.648	25.09	B₂	0.958
1487	6.724	0.4204	B₂	0.958
1486	6.729	13.95	A₁	0.958
1480	6.757	4.997	A₁	0.958
1473	6.79	33.37	B₂	0.958
1469	6.808	12.43	A₁	0.958
1455	6.871	2.603	A₁	0.958
1455	6.875	0.6034	B₂	0.958
1452	6.889	0.3586	A₁	0.958
1439	6.949	10.15	A₁	0.958
1437	6.957	6.419	B₂	0.958
1430	6.994	0.0504	B₂	0.958
1429	6.999	0.0269	A₁	0.958
1413	7.076	18.31	B₂	0.958
1411	7.086	4.173	A₁	0.958
1409	7.096	20.07	B₂	0.958
1394	7.173	0.0009	B₂	0.958
1387	7.209	4.672	A₁	0.958
1382	7.236	2.937	A₁	0.958
1381	7.24	27.95	B₂	0.958
1380	7.247	7.561	A₁	0.958
1379	7.25	7.258	B₂	0.958
1372	7.289	0.3545	B₂	0.958
1371	7.297	0.1848	B₂	0.958
1359	7.357	0.3867	A₁	0.958
1355	7.382	3.061	A₁	0.958
1352	7.396	6.071	B₂	0.958
1346	7.431	22.26	A₁	0.958
1346	7.432	6.922	B₂	0.958
1333	7.5	97.63	A₁	0.958
1331	7.512	174.8	B₂	0.958
1321	7.573	143.3	A₁	0.958
1318	7.588	145.1	B₂	0.958
1314	7.611	8.117	A₁	0.958
1306	7.656	9.994	B₂	0.958
1296	7.715	15.23	A₁	0.958
1288	7.766	101.9	B₂	0.958
1275	7.843	3.455	A₁	0.958
1275	7.845	103.2	B₂	0.958
1271	7.867	181.3	A₁	0.958
1268	7.889	312	B₂	0.958
1267	7.896	8.64	A₁	0.958
1252	7.99	5.484	B₂	0.958
1232	8.117	0.453	A₁	0.958
1232	8.118	16.02	B₂	0.958
1210	8.264	6.499	A₁	0.958
1207	8.283	0	A₂	0.958
1204	8.304	18.48	B₂	0.958
1191	8.393	75.83	B₂	0.958
1190	8.403	79.55	B₂	0.958
1189	8.412	19.73	A₁	0.958
1185	8.44	122.1	A₁	0.958
1169	8.553	97.96	B₂	0.958
1168	8.56	0.0196	A₁	0.958
1159	8.629	2.829	B₂	0.958
1158	8.635	9.268	A₁	0.958
1148	8.712	0.6568	A₁	0.958
1140	8.769	13.24	B₂	0.958
1110	9.005	0.1718	A₁	0.958
1105	9.049	10.52	B₂	0.958
1095	9.133	0.0129	A₁	0.958
1089	9.184	0.1102	B₂	0.958
1080	9.259	0.8523	B₂	0.958
1017	9.833	0.7519	A₁	0.958
1013	9.87	3.439	B₂	0.958
986	10.14	0.6324	A₁	0.958
979.1	10.21	5.504	A₁	0.958
978.1	10.22	0.1524	B₂	0.958
978.1	10.22	0.8814	B₁	0.958
959.8	10.42	1.903	B₂	0.958
958.3	10.44	0.0052	B₁	0.958
957.9	10.44	0	A₂	0.958
955.3	10.47	3.562	A₁	0.958
953.2	10.49	0.0077	B₁	0.958
951	10.52	0	A₂	0.958
928.8	10.77	0	A₂	0.958
918.3	10.89	1.676	B₁	0.958
881.3	11.35	1.732	A₁	0.958
881.1	11.35	130.1	B₁	0.958
879.1	11.38	0	A₂	0.958
858.1	11.65	19.37	B₁	0.958
856.2	11.68	0	A₂	0.958
855.6	11.69	0.076	B₂	0.958
853.4	11.72	50.38	B₁	0.958
838.2	11.93	2.814	A₁	0.958
835.3	11.97	0.1895	B₂	0.958
824.2	12.13	0.9424	B₂	0.958
821.5	12.17	5.096	A₁	0.958
806.1	12.41	0	A₂	0.958
802.7	12.46	4.369	A₁	0.958
802.2	12.47	10.3	B₂	0.958
799.4	12.51	0.6352	B₁	0.958
793.9	12.6	0	A₂	0.958
782.3	12.78	0.6969	B₁	0.958
775.4	12.9	0.4646	B₁	0.958
773.6	12.93	0.966	B₁	0.958
771.8	12.96	0	A₂	0.958
766	13.06	0	A₂	0.958
765.5	13.06	22.91	B₁	0.958
764.2	13.09	0	A₂	0.958
754.1	13.26	13.06	B₁	0.958
752.2	13.29	0.7205	B₂	0.958
749	13.35	0	A₂	0.958
744.3	13.44	0.3186	A₁	0.958
743.2	13.46	0.6603	B₂	0.958
724.4	13.8	2.798	B₁	0.958
715.4	13.98	4.486	A₁	0.958
710.4	14.08	9.115	B₁	0.958
694	14.41	0	A₂	0.958
693.3	14.42	0.3458	B₁	0.958
685.9	14.58	0	A₂	0.958
682.9	14.64	0.1373	B₁	0.958
653.7	15.3	0.1795	A₁	0.958
653.6	15.3	0.7931	B₂	0.958
650.2	15.38	4.219	B₂	0.958
643.5	15.54	7.338	A₁	0.958
624.8	16	2.686	A₁	0.958
624.3	16.02	2.13	B₂	0.958
615.6	16.24	0	A₂	0.958
614.8	16.27	5.377	A₁	0.958
609.6	16.4	0.0074	B₁	0.958
608.3	16.44	0.0107	B₁	0.958
607.7	16.46	0	A₂	0.958
596.2	16.77	3.845	B₂	0.958
594.6	16.82	2.163	B₁	0.958
589.7	16.96	0.0068	A₁	0.958
579.1	17.27	0	A₂	0.958
563.4	17.75	0	A₂	0.958
560.3	17.85	0	A₂	0.958
560.2	17.85	8.714	B₁	0.958
555	18.02	8.742	A₁	0.958
554.8	18.02	1.121	B₂	0.958
536.4	18.64	0.2075	B₂	0.958
533.3	18.75	5.452	B₁	0.958
532	18.8	0.0256	B₂	0.958
522.5	19.14	1.982	B₁	0.958
519.4	19.25	0	A₂	0.958
498	20.08	1.127	B₂	0.958
497.4	20.1	1.54	A₁	0.958
490	20.41	0.7102	B₂	0.958
478	20.92	0.4469	A₁	0.958
462.9	21.6	0.0475	B₂	0.958
456.6	21.9	0.0992	A₁	0.958
455.4	21.96	0.127	B₁	0.958
444.4	22.5	0	A₂	0.958
401.2	24.92	0.0171	B₁	0.958
387.3	25.82	0	A₂	0.958
384.6	26	0.1259	B₁	0.958
383.5	26.08	0.002	A₁	0.958
377	26.53	0	A₂	0.958
371.1	26.95	4.178	B₂	0.958
369.2	27.09	4.038	A₁	0.958
367.2	27.23	0.0078	B₁	0.958
346.2	28.89	0.1016	B₁	0.958
343.1	29.15	0	A₂	0.958
340.3	29.39	3.5	B₂	0.958
317.7	31.48	0.6966	B₁	0.958
315.8	31.67	0.3722	A₁	0.958
306.9	32.58	0	A₂	0.958
279.2	35.82	0	A₂	0.958
264.6	37.8	15.04	B₂	0.958
260.2	38.43	10.95	A₁	0.958
256.8	38.94	1.647	B₁	0.958
248.5	40.24	3.871	B₂	0.958
246.7	40.53	4.185	A₁	0.958
232.2	43.06	0	A₂	0.958
228.5	43.77	1.38	B₁	0.958
221.9	45.06	2.346	B₁	0.958
213	46.94	0	A₂	0.958
171.8	58.2	0.1037	B₁	0.958
140.5	71.18	0	A₂	0.958
132.1	75.7	0.0278	B₁	0.958
130.1	76.85	0	A₂	0.958
112.5	88.93	0.1214	B₁	0.958
73.59	135.9	0	A₂	0.958
64.92	154	1.554	B₁	0.958
48.07	208	0.0004	B₁	0.958
38.01	263.1	0	A₂	0.958
13.28	752.9	0.1322	B₁	0.958

Vibrations

Note(s):

C-corhm_c2v

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