NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3089	3.237	0	A_G	0.958
3089	3.237	59.56	B_2U	0.958
3089	3.237	32.66	B_1U	0.958
3089	3.237	0	B_3G	0.958
3089	3.237	0	A_G	0.958
3089	3.237	5.096	B_2U	0.958
3074	3.253	0.0145	B_1U	0.958
3074	3.254	0	B_3G	0.958
3073	3.254	0	A_G	0.958
3073	3.254	1.676	B_2U	0.958
3073	3.254	0.3873	B_1U	0.958
3073	3.254	0	B_3G	0.958
3070	3.258	0	A_G	0.958
3070	3.258	16.78	B_2U	0.958
3069	3.258	1.954	B_1U	0.958
3069	3.258	0	B_3G	0.958
3066	3.262	0	A_G	0.958
3066	3.262	3.477	B_1U	0.958
3063	3.264	0	B_3G	0.958
3063	3.264	0.0494	B_2U	0.958
1601	6.244	0	A_G	0.958
1599	6.255	0	A_G	0.958
1596	6.266	24.77	B_2U	0.958
1583	6.318	1277	B_1U	0.958
1580	6.328	39.7	B_1U	0.958
1580	6.33	0	B_3G	0.958
1578	6.335	293	B_2U	0.958
1573	6.356	0	B_3G	0.958
1572	6.361	49.93	B_1U	0.958
1564	6.393	0	A_G	0.958
1563	6.399	0	B_3G	0.958
1556	6.426	2.815	B_2U	0.958
1547	6.463	0	A_G	0.958
1536	6.509	70.84	B_1U	0.958
1528	6.543	0	A_G	0.958
1524	6.56	24.44	B_2U	0.958
1521	6.573	0	B_3G	0.958
1514	6.606	149.2	B_1U	0.958
1510	6.622	135.5	B_2U	0.958
1488	6.719	0	A_G	0.958
1485	6.733	309.3	B_1U	0.958
1485	6.735	0	A_G	0.958
1480	6.758	0	B_3G	0.958
1472	6.793	0	B_3G	0.958
1468	6.813	20.33	B_2U	0.958
1467	6.814	85.03	B_1U	0.958
1453	6.883	26.9	B_2U	0.958
1452	6.885	0	B_3G	0.958
1445	6.921	140.9	B_1U	0.958
1442	6.934	0	A_G	0.958
1437	6.96	0	B_3G	0.958
1433	6.981	14.02	B_2U	0.958
1429	6.997	0	B_3G	0.958
1428	7.001	0.2093	B_1U	0.958
1428	7.001	0	A_G	0.958
1427	7.006	158.1	B_2U	0.958
1417	7.056	0.0092	B_1U	0.958
1413	7.078	0	A_G	0.958
1410	7.09	0	B_3G	0.958
1400	7.144	0	B_3G	0.958
1398	7.155	0.0676	B_2U	0.958
1396	7.166	0	A_G	0.958
1386	7.216	44.04	B_2U	0.958
1385	7.219	7.934	B_1U	0.958
1384	7.227	27.5	B_1U	0.958
1380	7.244	41.82	B_2U	0.958
1380	7.245	0	A_G	0.958
1378	7.257	0	A_G	0.958
1374	7.279	22.23	B_1U	0.958
1372	7.286	0	B_3G	0.958
1366	7.322	0	A_G	0.958
1363	7.337	0	B_3G	0.958
1361	7.347	55.33	B_2U	0.958
1353	7.394	0	A_G	0.958
1351	7.4	640.3	B_1U	0.958
1340	7.463	101.2	B_2U	0.958
1331	7.511	911.5	B_2U	0.958
1327	7.534	0	B_3G	0.958
1325	7.546	0	A_G	0.958
1325	7.549	33	B_1U	0.958
1319	7.58	46.54	B_2U	0.958
1308	7.648	0	B_3G	0.958
1285	7.781	0	A_G	0.958
1285	7.783	7.362	B_1U	0.958
1284	7.787	0	B_3G	0.958
1274	7.848	0	B_3G	0.958
1274	7.848	0	A_G	0.958
1272	7.859	23.02	B_2U	0.958
1271	7.871	284.3	B_2U	0.958
1265	7.903	112.3	B_1U	0.958
1260	7.939	0	A_G	0.958
1226	8.159	0	B_3G	0.958
1224	8.173	35.39	B_1U	0.958
1213	8.245	110.8	B_2U	0.958
1209	8.27	0	A_G	0.958
1206	8.295	217.2	B_1U	0.958
1199	8.339	293.6	B_2U	0.958
1196	8.36	0	A_G	0.958
1195	8.369	0	B_3G	0.958
1181	8.469	0	A_G	0.958
1180	8.474	0.0846	B_2U	0.958
1167	8.569	13.83	B_1U	0.958
1162	8.604	0	B_3G	0.958
1154	8.667	3.025	B_2U	0.958
1151	8.687	0	A_G	0.958
1139	8.777	0.4478	B_1U	0.958
1137	8.797	24.75	B_2U	0.958
1135	8.811	0	B_3G	0.958
1109	9.017	0	A_G	0.958
1088	9.195	7.29	B_2U	0.958
1084	9.226	4.624	B_1U	0.958
1050	9.524	0	B_3G	0.958
1040	9.619	0	A_G	0.958
1029	9.716	0	B_3G	0.958
1015	9.849	0	A_G	0.958
1001	9.985	0.2285	B_2U	0.958
998.3	10.02	0	B_2G	0.958
997.8	10.02	0	A_U	0.958
997.4	10.03	4.423	B_1U	0.958
995.5	10.05	0.0124	B_3U	0.958
994	10.06	0	B_1G	0.958
993.5	10.07	0	B_2G	0.958
992.3	10.08	0	A_U	0.958
986.2	10.14	0	B_3G	0.958
984.3	10.16	26.9	B_1U	0.958
950	10.53	120	B_3U	0.958
949.8	10.53	0	B_2G	0.958
924.9	10.81	0	B_1G	0.958
922	10.85	116	B_3U	0.958
915.4	10.92	0	A_U	0.958
912	10.96	1.381	B_1U	0.958
910.7	10.98	0	B_2G	0.958
899.8	11.11	0	B_1G	0.958
897.3	11.14	0	A_U	0.958
888.7	11.25	0	A_G	0.958
882.3	11.33	61.52	B_2U	0.958
878.3	11.39	0	B_3G	0.958
857.4	11.66	0.0321	B_1U	0.958
848.3	11.79	0	A_G	0.958
838.2	11.93	0	B_3G	0.958
828.9	12.06	9.504	B_3U	0.958
828.1	12.08	1.516	B_1U	0.958
825.3	12.12	0	B_1G	0.958
824.9	12.12	13.72	B_2U	0.958
817.3	12.23	0	B_2G	0.958
812.1	12.31	0	A_U	0.958
798.9	12.52	62.49	B_3U	0.958
796.9	12.55	0	B_1G	0.958
781.8	12.79	0	A_G	0.958
780	12.82	0	B_3G	0.958
777.9	12.85	0	B_2G	0.958
775.3	12.9	0.3612	B_2U	0.958
771.3	12.96	0	A_U	0.958
770.6	12.98	0.7729	B_3U	0.958
769.1	13	0	B_1G	0.958
765.5	13.06	0	B_2G	0.958
764.2	13.09	0.6844	B_1U	0.958
761.4	13.13	0	A_U	0.958
744.1	13.44	8.212	B_3U	0.958
741.8	13.48	0	B_2G	0.958
732.1	13.66	4.919	B_2U	0.958
727.3	13.75	0	B_2G	0.958
719.8	13.89	0	A_U	0.958
715.1	13.98	0	B_3G	0.958
706	14.17	0	B_1G	0.958
705.4	14.18	8.664	B_3U	0.958
692.7	14.44	0	A_G	0.958
689.9	14.5	0	B_1G	0.958
689.8	14.5	0	B_2G	0.958
686.8	14.56	0.0199	B_1U	0.958
683.8	14.62	0	A_U	0.958
681.6	14.67	0	B_3G	0.958
671.3	14.9	5.174	B_3U	0.958
656.3	15.24	0	B_3G	0.958
644.5	15.52	0	A_G	0.958
641.6	15.59	1.626	B_2U	0.958
636	15.72	0	A_G	0.958
634.2	15.77	0.1055	B_1U	0.958
624.3	16.02	0	B_2G	0.958
616.3	16.22	4.817	B_2U	0.958
609.9	16.4	0	B_3G	0.958
607	16.47	0	A_U	0.958
605.8	16.51	17.69	B_3U	0.958
604.5	16.54	0	B_1G	0.958
604	16.56	0	B_2G	0.958
598.6	16.7	2.298	B_2U	0.958
597.6	16.73	0	A_U	0.958
583.9	17.13	0.4788	B_3U	0.958
579	17.27	0.0002	B_1U	0.958
573.6	17.43	0	A_G	0.958
571.8	17.49	0	B_2G	0.958
570.6	17.53	0	B_1G	0.958
565.5	17.68	0	B_3G	0.958
558.7	17.9	0	B_2G	0.958
556.8	17.96	15.99	B_3U	0.958
549.4	18.2	0	B_1G	0.958
549	18.21	0.0002	B_1U	0.958
547.6	18.26	0	A_U	0.958
530.6	18.85	0	A_G	0.958
519.7	19.24	0.7132	B_1U	0.958
518.7	19.28	3.623	B_2U	0.958
508	19.68	0	B_3G	0.958
503.5	19.86	0.0645	B_3U	0.958
490.5	20.39	19.28	B_2U	0.958
480.9	20.79	0.1069	B_1U	0.958
474.1	21.09	0	B_3G	0.958
451.5	22.15	0	B_2G	0.958
450.3	22.21	0	A_U	0.958
441	22.68	1.898	B_2U	0.958
437.6	22.85	0.2255	B_1U	0.958
431.5	23.18	0	B_1G	0.958
418.8	23.88	0	A_G	0.958
412.3	24.25	0	B_3G	0.958
409	24.45	0	B_1G	0.958
404	24.75	0	A_U	0.958
395.4	25.29	3.526	B_3U	0.958
393.3	25.43	0	B_2G	0.958
389.4	25.68	0	A_U	0.958
362	27.62	0	B_2G	0.958
355.4	28.13	0	B_3G	0.958
354.9	28.18	2.746	B_3U	0.958
351.9	28.42	0.8002	B_1U	0.958
351.4	28.46	0	A_U	0.958
330.7	30.24	0	A_G	0.958
315.7	31.67	0	B_1G	0.958
313.6	31.88	0.1129	B_3U	0.958
311.6	32.1	0	B_2G	0.958
311.5	32.1	0.0407	B_2U	0.958
291.3	34.33	0	A_G	0.958
270.7	36.94	12.68	B_2U	0.958
270.1	37.02	0	B_2G	0.958
268.1	37.3	0	B_1G	0.958
249.4	40.09	0	A_U	0.958
249.3	40.11	0	B_1G	0.958
244.2	40.96	3.527	B_3U	0.958
228.1	43.84	0	A_G	0.958
218.6	45.75	0	B_3G	0.958
216.2	46.25	1.872	B_3U	0.958
210.7	47.46	0.5852	B_1U	0.958
178.9	55.88	0	B_2G	0.958
174.3	57.36	0	B_1G	0.958
172.9	57.85	3.959	B_3U	0.958
171.5	58.3	0	A_U	0.958
126.7	78.95	0	A_U	0.958
117.5	85.14	0	B_2G	0.958
111.3	89.82	0.3479	B_3U	0.958
95.57	104.6	0	B_1G	0.958
79.26	126.2	0	B_2G	0.958
64.26	155.6	0	B_1G	0.958
45.25	221	6.625	B_3U	0.958
33.4	299.4	0.8046	B_3U	0.958
33.3	300.3	0	A_U	0.958

Vibrations

Note(s):

C66h20

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