NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3079	3.248	24.8	A₁	0.958
3079	3.248	160	B₂	0.958
3077	3.25	12.6	A₁	0.958
3077	3.25	32	B₂	0.958
3076	3.251	55.1	A₁	0.958
3076	3.251	32.8	B₂	0.958
3061	3.267	0.112	A₁	0.958
3061	3.267	2.01	B₂	0.958
3060	3.268	9.58	A₁	0.958
3060	3.268	1.71	B₂	0.958
3059	3.269	27.3	A₁	0.958
3058	3.27	6.97	A₁	0.958
3058	3.27	1.62	B₂	0.958
3057	3.271	8.09	A₁	0.958
3057	3.271	0.0961	B₂	0.958
3056	3.272	17.2	B₂	0.958
3056	3.273	2.45	A₁	0.958
3055	3.273	0.03	A₁	0.958
3055	3.273	0.0442	B₂	0.958
3054	3.274	0.854	A₁	0.958
3054	3.275	1.27	B₂	0.958
1608	6.221	101	B₂	0.958
1606	6.227	35.2	A₁	0.958
1602	6.241	9.75	B₂	0.958
1598	6.257	50.8	A₁	0.958
1593	6.278	0.104	A₁	0.958
1586	6.305	2.54	A₁	0.958
1584	6.312	171	B₂	0.958
1578	6.338	253	B₂	0.958
1573	6.358	328	B₂	0.958
1570	6.367	9	A₁	0.958
1569	6.375	0.0604	A₁	0.958
1563	6.396	458	B₂	0.958
1555	6.431	35.1	A₁	0.958
1549	6.455	423	B₂	0.958
1538	6.501	1.6	A₁	0.958
1538	6.501	54	B₂	0.958
1524	6.563	0.537	A₁	0.958
1515	6.599	87.7	B₂	0.958
1503	6.652	4.52	A₁	0.958
1498	6.677	3.58	B₂	0.958
1492	6.703	0.0467	A₁	0.958
1488	6.72	0.0476	B₂	0.958
1482	6.747	2.59	B₂	0.958
1481	6.752	6.94	A₁	0.958
1477	6.769	7.27	A₁	0.958
1467	6.816	25.2	A₁	0.958
1464	6.833	9.48	B₂	0.958
1452	6.886	26.8	B₂	0.958
1449	6.902	4.37	A₁	0.958
1446	6.916	0.434	B₂	0.958
1441	6.941	3.39	A₁	0.958
1435	6.968	8.42	B₂	0.958
1433	6.98	160	B₂	0.958
1429	6.997	0.59	A₁	0.958
1426	7.012	0.209	A₁	0.958
1420	7.04	0.0017	B₂	0.958
1417	7.058	22.2	A₁	0.958
1410	7.09	11.8	B₂	0.958
1410	7.091	13.8	A₁	0.958
1404	7.12	2.72	A₁	0.958
1404	7.124	4.96	B₂	0.958
1398	7.151	2.76	B₂	0.958
1390	7.193	0.381	B₂	0.958
1390	7.195	0.613	A₁	0.958
1387	7.21	16.5	B₂	0.958
1381	7.242	2.84	A₁	0.958
1378	7.255	2.38	A₁	0.958
1376	7.266	0.863	B₂	0.958
1374	7.277	22.2	B₂	0.958
1372	7.286	9.78	A₁	0.958
1365	7.325	1.43	A₁	0.958
1365	7.326	6.59	B₂	0.958
1361	7.346	0.91	B₂	0.958
1361	7.349	13.6	A₁	0.958
1355	7.378	132	B₂	0.958
1346	7.429	0.0096	A₁	0.958
1343	7.444	1.06	B₂	0.958
1341	7.457	3.18	A₁	0.958
1334	7.495	37.3	B₂	0.958
1334	7.499	19	A₁	0.958
1317	7.592	75.8	B₂	0.958
1314	7.608	89.6	A₁	0.958
1310	7.636	232	B₂	0.958
1306	7.658	35.1	A₁	0.958
1291	7.748	2.28	A₁	0.958
1283	7.795	83.3	B₂	0.958
1278	7.825	4.92	A₁	0.958
1266	7.901	27.7	B₂	0.958
1260	7.939	111	B₂	0.958
1255	7.967	0.0765	A₁	0.958
1245	8.033	1.02	A₁	0.958
1235	8.096	5.78	B₂	0.958
1227	8.148	4.88	A₁	0.958
1226	8.157	0.685	B₂	0.958
1218	8.208	0.0575	A₁	0.958
1216	8.227	0.097	B₂	0.958
1206	8.29	4.75	B₂	0.958
1205	8.298	0.533	A₁	0.958
1189	8.408	20.7	A₁	0.958
1189	8.413	7.37	B₂	0.958
1187	8.425	470	B₂	0.958
1184	8.446	4.29	A₁	0.958
1178	8.487	0.581	A₁	0.958
1173	8.523	9.12	B₂	0.958
1171	8.542	13.2	B₂	0.958
1159	8.632	23.1	B₂	0.958
1156	8.647	0.792	A₁	0.958
1144	8.738	2.69	A₁	0.958
1143	8.751	17.9	B₂	0.958
1116	8.964	17.3	A₁	0.958
1096	9.123	6.01	B₂	0.958
1083	9.235	21.7	B₂	0.958
1082	9.243	3.91	A₁	0.958
1071	9.337	5.6	A₁	0.958
1045	9.571	9.7	B₂	0.958
1035	9.663	0.734	A₁	0.958
1034	9.672	15.2	B₂	0.958
1021	9.791	7.5	A₁	0.958
989.8	10.1	0.0267	B₁	0.958
989.7	10.1	0	A₂	0.958
985.9	10.14	0.0105	B₁	0.958
985.7	10.15	0	A₂	0.958
975.1	10.26	0.0783	B₁	0.958
975	10.26	0	A₂	0.958
968.8	10.32	2.24	B₂	0.958
943.5	10.6	0.214	A₁	0.958
942.6	10.61	56.8	B₁	0.958
933.7	10.71	8.27	B₂	0.958
925.6	10.8	94.8	B₁	0.958
916.4	10.91	0.0003	A₁	0.958
915.9	10.92	0	A₂	0.958
907.6	11.02	0	A₂	0.958
905.2	11.05	77.6	B₁	0.958
904.9	11.05	1.22	B₂	0.958
899.6	11.12	0.141	A₁	0.958
893.4	11.19	0	A₂	0.958
886.4	11.28	17.2	B₁	0.958
878.5	11.38	28.5	B₂	0.958
861.3	11.61	0	A₂	0.958
858.1	11.65	0.609	B₂	0.958
856.6	11.67	0.448	B₁	0.958
854.6	11.7	0.853	A₁	0.958
850.7	11.76	1.78	A₁	0.958
842.7	11.87	41.2	B₁	0.958
841.2	11.89	0	A₂	0.958
818.3	12.22	1.8	A₁	0.958
810.1	12.34	0.0219	B₂	0.958
803.5	12.44	0	A₂	0.958
800.9	12.49	23.4	B₁	0.958
796.2	12.56	0.369	A₁	0.958
788.8	12.68	0.352	B₁	0.958
788.5	12.68	0	A₂	0.958
787.6	12.7	4.06	B₁	0.958
779.8	12.82	0	A₂	0.958
777.7	12.86	0.0026	B₁	0.958
771.4	12.96	0.967	B₁	0.958
770.9	12.97	0	A₂	0.958
766.2	13.05	3.91	B₂	0.958
759.2	13.17	2.72	B₁	0.958
754.4	13.26	1.55	A₁	0.958
752.5	13.29	0	A₂	0.958
744.9	13.42	1.8	B₂	0.958
734	13.62	0	A₂	0.958
734	13.62	0.0105	B₁	0.958
733.5	13.63	0	B₂	0.958
726.7	13.76	0.378	A₁	0.958
721.2	13.87	0.174	B₁	0.958
721.1	13.87	0	A₂	0.958
709.9	14.09	1.55	B₁	0.958
703.6	14.21	13.1	B₂	0.958
694.6	14.4	0	A₂	0.958
686.5	14.57	0.0004	A₁	0.958
686.3	14.57	0.149	A₁	0.958
682.4	14.65	7.22	B₁	0.958
681.2	14.68	0.0556	B₂	0.958
678.2	14.75	0	A₂	0.958
656.4	15.24	1.26	B₂	0.958
654.1	15.29	0.307	B₁	0.958
646.9	15.46	0.285	A₁	0.958
629	15.9	0.735	A₁	0.958
626.9	15.95	0.0501	B₂	0.958
624.6	16.01	0	A₂	0.958
620.1	16.13	18	B₁	0.958
614.6	16.27	0	A₂	0.958
613.3	16.31	0.0289	A₁	0.958
610.3	16.38	0.145	B₁	0.958
600	16.67	0.711	A₁	0.958
599.9	16.67	0.556	B₂	0.958
599	16.69	2.93	B₁	0.958
593.6	16.85	0	A₂	0.958
583.4	17.14	0.118	B₂	0.958
577.1	17.33	0	A₂	0.958
576.9	17.33	12.9	B₁	0.958
576.7	17.34	0.186	B₂	0.958
571.3	17.5	0	A₂	0.958
569.4	17.56	0.0002	A₁	0.958
560.8	17.83	0.221	A₁	0.958
559	17.89	0.981	B₁	0.958
550.9	18.15	0.159	B₁	0.958
546.5	18.3	0	A₂	0.958
541.6	18.46	1.17	B₂	0.958
535.1	18.69	0.559	A₁	0.958
534.4	18.71	0.0164	B₁	0.958
527	18.97	0.0312	B₂	0.958
518.1	19.3	6.83	B₂	0.958
511.1	19.57	0	A₂	0.958
497.3	20.11	1.15	B₂	0.958
483.3	20.69	0.285	B₁	0.958
479.9	20.84	1.63	A₁	0.958
474.3	21.09	0.405	A₁	0.958
466.2	21.45	0	A₂	0.958
451.5	22.15	1.7	B₂	0.958
449.1	22.27	0.669	A₁	0.958
434.4	23.02	0.0066	B₁	0.958
429.4	23.29	0.257	B₂	0.958
417.2	23.97	0	A₂	0.958
407.2	24.56	0.0114	B₁	0.958
406.8	24.58	0	A₂	0.958
399.1	25.06	3.57	B₂	0.958
397.6	25.15	0.164	B₁	0.958
389.4	25.68	1.57	A₁	0.958
386.2	25.9	0	A₂	0.958
358.3	27.91	0.119	B₁	0.958
350.1	28.56	0	A₂	0.958
346	28.9	0.765	A₁	0.958
344.3	29.04	26.9	B₂	0.958
335.2	29.84	0.224	A₁	0.958
330.2	30.29	0.445	B₁	0.958
326.7	30.6	0	A₂	0.958
322.3	31.02	2.11	B₁	0.958
315.4	31.71	8.15	B₁	0.958
313.5	31.9	0	A₂	0.958
313.3	31.92	0.671	B₂	0.958
305.8	32.71	0.0814	A₁	0.958
298.8	33.47	0.883	B₂	0.958
276.8	36.12	0.213	B₁	0.958
274	36.5	0	A₂	0.958
244.1	40.97	0	A₂	0.958
238.6	41.92	0.014	B₁	0.958
217.9	45.89	2.14	B₂	0.958
206.9	48.34	0	A₂	0.958
206.2	48.51	0.334	A₁	0.958
204.6	48.87	0.235	B₁	0.958
186.3	53.69	0	A₂	0.958
185.1	54.03	0.0913	B₁	0.958
166.2	60.16	0.499	B₁	0.958
151.6	65.95	2.18	A₁	0.958
148.5	67.34	0	A₂	0.958
136.9	73.07	1.51	B₁	0.958
118.4	84.49	0	A₂	0.958
99.62	100.4	1.2	B₁	0.958
85.58	116.9	0	A₂	0.958
66.55	150.3	2.01	B₁	0.958
60.96	164.1	1.85	B₁	0.958
57.97	172.5	0	A₂	0.958
28.17	355	0	A₂	0.958
23.02	434.5	0.642	B₁	0.958

Vibrations

Note(s):

C67H21

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