NASA Ames PAH IR Spectroscopic Database

Transitions

ν_k [cm^-1]	λ [μm]	int [km/mol]	symm.	f_scale
3093	3.233	0	A_G	0.958
3093	3.233	3.95	B_2U	0.958
3093	3.233	1.47	B_1U	0.958
3093	3.233	0	B_3G	0.958
3093	3.233	0	A_G	0.958
3093	3.233	0.519	B_2U	0.958
3079	3.248	0.463	B_1U	0.958
3079	3.248	0	B_3G	0.958
3079	3.248	0	A_G	0.958
3079	3.248	0.94	B_2U	0.958
3079	3.248	0.999	B_1U	0.958
3079	3.248	0	B_3G	0.958
3073	3.254	0	A_G	0.958
3073	3.254	0.491	B_2U	0.958
3073	3.254	0.114	B_1U	0.958
3073	3.254	0	B_3G	0.958
3071	3.257	0	A_G	0.958
3071	3.257	1.39	B_1U	0.958
3069	3.259	0	B_3G	0.958
3069	3.259	0.0002	B_2U	0.958
1591	6.283	0	A_G	0.958
1581	6.326	0	A_G	0.958
1570	6.367	615	B_2U	0.958
1569	6.373	0	B_3G	0.958
1569	6.375	659	B_1U	0.958
1565	6.391	0	B_3G	0.958
1557	6.422	122	B_1U	0.958
1551	6.448	0	B_3G	0.958
1548	6.458	846	B_2U	0.958
1547	6.466	147	B_1U	0.958
1545	6.472	0	A_G	0.958
1542	6.484	0	B_3G	0.958
1532	6.526	0	A_G	0.958
1532	6.526	44.8	B_2U	0.958
1526	6.552	146	B_1U	0.958
1517	6.592	39.7	B_2U	0.958
1515	6.602	0	A_G	0.958
1496	6.683	599	B_1U	0.958
1486	6.73	912	B_2U	0.958
1485	6.733	0	A_G	0.958
1481	6.75	0	B_3G	0.958
1481	6.754	0	A_G	0.958
1474	6.786	0	B_3G	0.958
1472	6.793	215	B_1U	0.958
1465	6.826	79.1	B_1U	0.958
1459	6.854	107	B_2U	0.958
1458	6.86	0	B_3G	0.958
1443	6.929	905	B_2U	0.958
1439	6.948	459	B_1U	0.958
1438	6.952	0	B_3G	0.958
1437	6.959	0	A_G	0.958
1433	6.98	121	B_2U	0.958
1432	6.984	0	B_3G	0.958
1431	6.987	10.9	B_1U	0.958
1422	7.035	0	A_G	0.958
1417	7.057	0.0078	B_1U	0.958
1416	7.061	471	B_2U	0.958
1410	7.09	0	A_G	0.958
1408	7.102	0	B_3G	0.958
1395	7.17	0	B_3G	0.958
1391	7.187	0	A_G	0.958
1388	7.205	121	B_2U	0.958
1382	7.237	74.8	B_1U	0.958
1379	7.251	0	A_G	0.958
1379	7.253	1.1	B_2U	0.958
1376	7.266	0	A_G	0.958
1376	7.267	72.9	B_1U	0.958
1374	7.278	0	B_3G	0.958
1365	7.329	0	B_3G	0.958
1364	7.33	22.9	B_1U	0.958
1360	7.351	355	B_2U	0.958
1358	7.363	0	A_G	0.958
1354	7.386	0	A_G	0.958
1347	7.426	1.25e+3	B_2U	0.958
1341	7.459	0	B_3G	0.958
1339	7.47	1.24e+3	B_1U	0.958
1337	7.478	8.05	B_2U	0.958
1330	7.518	0	A_G	0.958
1326	7.54	38.3	B_1U	0.958
1322	7.564	0	B_3G	0.958
1320	7.575	0.179	B_2U	0.958
1316	7.597	43	B_2U	0.958
1284	7.79	0	B_3G	0.958
1283	7.797	0	A_G	0.958
1282	7.799	21.2	B_1U	0.958
1274	7.85	343	B_2U	0.958
1271	7.868	0	B_3G	0.958
1268	7.884	0	A_G	0.958
1262	7.924	277	B_1U	0.958
1261	7.928	0	A_G	0.958
1253	7.982	1.06e+3	B_2U	0.958
1229	8.135	0	B_3G	0.958
1224	8.173	135	B_1U	0.958
1212	8.253	0	A_G	0.958
1209	8.271	64.3	B_2U	0.958
1199	8.343	0	A_G	0.958
1197	8.356	0	B_3G	0.958
1191	8.397	762	B_1U	0.958
1191	8.398	11.7	B_2U	0.958
1181	8.466	0	B_3G	0.958
1180	8.476	0	A_G	0.958
1172	8.533	0.0164	B_1U	0.958
1162	8.602	535	B_2U	0.958
1162	8.603	0	B_3G	0.958
1150	8.699	424	B_2U	0.958
1148	8.707	0	A_G	0.958
1140	8.771	41.4	B_1U	0.958
1130	8.847	1.3e+3	B_2U	0.958
1111	9.001	0	A_G	0.958
1086	9.21	0.269	B_1U	0.958
1085	9.213	0.113	B_2U	0.958
1056	9.473	0	B_3G	0.958
1042	9.596	0	A_G	0.958
1030	9.707	0	B_3G	0.958
1015	9.853	0	A_G	0.958
1005	9.948	0	B_2G	0.958
1005	9.954	0	A_U	0.958
1003	9.971	1.15	B_2U	0.958
1003	9.973	0.0216	B_3U	0.958
1001	9.989	0	B_1G	0.958
999.8	10	0	B_2G	0.958
998.7	10.01	0	A_U	0.958
994.9	10.05	10.5	B_1U	0.958
981.9	10.18	0	B_3G	0.958
980.7	10.2	56.7	B_1U	0.958
956.5	10.46	136	B_3U	0.958
956	10.46	0	B_2G	0.958
935.6	10.69	0	B_1G	0.958
932.5	10.72	89.4	B_3U	0.958
923.8	10.83	0	A_U	0.958
919.3	10.88	0	B_2G	0.958
912.4	10.96	0.0001	B_1U	0.958
904.6	11.05	0	B_1G	0.958
902.2	11.08	0	A_U	0.958
889.7	11.24	0	A_G	0.958
881.5	11.34	3.59	B_2U	0.958
876.6	11.41	0	B_3G	0.958
854.8	11.7	3.73	B_1U	0.958
848.2	11.79	0	A_G	0.958
837.1	11.95	0	B_3G	0.958
835.9	11.96	4.94	B_3U	0.958
832.6	12.01	0	B_1G	0.958
827.1	12.09	0.549	B_1U	0.958
822.7	12.16	12.8	B_2U	0.958
822.2	12.16	0	B_2G	0.958
816.2	12.25	0	A_U	0.958
809.2	12.36	76.7	B_3U	0.958
806.2	12.4	0	B_1G	0.958
780.5	12.81	0	B_3G	0.958
777.1	12.87	0	B_2G	0.958
776	12.89	17.7	B_2U	0.958
775.1	12.9	0	A_G	0.958
770.3	12.98	0.703	B_3U	0.958
768	13.02	0	B_1G	0.958
767.7	13.03	0	A_U	0.958
762.7	13.11	1.18	B_1U	0.958
761.8	13.13	0	B_2G	0.958
758.7	13.18	0	A_U	0.958
744.3	13.43	7.22	B_3U	0.958
741.7	13.48	0	B_2G	0.958
730.3	13.69	5.83	B_2U	0.958
727.6	13.74	0	B_2G	0.958
720.1	13.89	0	A_U	0.958
715	13.99	0	B_3G	0.958
706.9	14.15	9.02	B_3U	0.958
704.7	14.19	0	B_1G	0.958
693.3	14.42	0	A_G	0.958
689.8	14.5	0	B_2G	0.958
689.8	14.5	0	B_1G	0.958
685.5	14.59	1.13	B_1U	0.958
680.7	14.69	0	A_U	0.958
680.4	14.7	0	B_3G	0.958
672.7	14.87	3.49	B_3U	0.958
654.9	15.27	0	B_3G	0.958
642.2	15.57	0	A_G	0.958
640.7	15.61	1.92	B_2U	0.958
637.9	15.68	0	A_G	0.958
634.1	15.77	0.975	B_1U	0.958
622	16.08	0	B_2G	0.958
616.9	16.21	1.44	B_2U	0.958
607.7	16.46	0	B_3G	0.958
607.3	16.47	0	B_1G	0.958
604.3	16.55	0	B_2G	0.958
603.9	16.56	0	A_U	0.958
601	16.64	22.4	B_3U	0.958
597.1	16.75	0	A_U	0.958
596.6	16.76	0.0318	B_2U	0.958
587.2	17.03	0.197	B_3U	0.958
577.3	17.32	0.801	B_1U	0.958
574.4	17.41	0	A_G	0.958
567.7	17.61	0	B_2G	0.958
565.9	17.67	0	B_3G	0.958
565.4	17.69	0	B_1G	0.958
556.5	17.97	17.3	B_3U	0.958
554.7	18.03	0	B_2G	0.958
549.5	18.2	0	B_1G	0.958
547.9	18.25	0.523	B_1U	0.958
536.9	18.63	0	A_U	0.958
530	18.87	0	A_G	0.958
518.9	19.27	4.27	B_1U	0.958
517.2	19.34	5.63	B_2U	0.958
507.6	19.7	0	B_3G	0.958
502.2	19.91	0.133	B_3U	0.958
488.9	20.46	2.18	B_2U	0.958
479	20.88	0.0108	B_1U	0.958
471.5	21.21	0	B_3G	0.958
446.5	22.39	0	A_U	0.958
445.7	22.44	0	B_2G	0.958
439.4	22.76	4.04	B_2U	0.958
434.6	23.01	4.65	B_1U	0.958
428.5	23.34	0	B_1G	0.958
417.8	23.94	0	A_G	0.958
411	24.33	0	B_3G	0.958
405.3	24.68	0	B_1G	0.958
401.5	24.91	0	A_U	0.958
396.3	25.24	0	B_2G	0.958
395.3	25.3	5.79	B_3U	0.958
383.6	26.07	0	A_U	0.958
362.1	27.61	0	B_2G	0.958
357.8	27.95	0	B_3G	0.958
354.3	28.23	1.64	B_3U	0.958
351.8	28.43	0	A_U	0.958
348.5	28.69	2.99	B_1U	0.958
330	30.3	0	A_G	0.958
313.8	31.87	0.228	B_3U	0.958
313.3	31.92	0	B_1G	0.958
310.5	32.21	0.132	B_2U	0.958
308.8	32.38	0	B_2G	0.958
290.7	34.4	0	A_G	0.958
269.9	37.05	0	B_2G	0.958
267.1	37.44	8.88	B_2U	0.958
265	37.73	0	B_1G	0.958
248	40.32	0	B_1G	0.958
245.8	40.68	0	A_U	0.958
243.7	41.03	5.49	B_3U	0.958
228.2	43.83	0	A_G	0.958
222.6	44.92	0	B_3G	0.958
217.1	46.05	1.69	B_3U	0.958
210.3	47.56	0.0544	B_1U	0.958
177.3	56.41	0	B_2G	0.958
173.1	57.76	0	B_1G	0.958
170.6	58.62	5.15	B_3U	0.958
170.2	58.75	0	A_U	0.958
125.4	79.76	0	A_U	0.958
117.5	85.1	0	B_2G	0.958
110.2	90.72	0.5	B_3U	0.958
94.1	106.3	0	B_1G	0.958
77.96	128.3	0	B_2G	0.958
63.8	156.7	0	B_1G	0.958
45.42	220.2	8.94	B_3U	0.958
32.46	308.1	0	A_U	0.958
31.86	313.9	2.41	B_3U	0.958

Vibrations

Note(s):

C66H20+++

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