NASA Ames PAH IR Spectroscopic Database

Transitions

Frequency [wavenumbers]	Wavelength [microns]	Integrated cross-section [km/mol]	Symmetry	Scaling factor
3079	3.247	0	A_G	0.958
3079	3.248	114.7	B_1U	0.958
3079	3.248	108.2	B_2U	0.958
3079	3.248	0	B_3G	0.958
3078	3.249	0	A_G	0.958
3078	3.249	53.11	B_2U	0.958
3062	3.266	2.089	B_1U	0.958
3062	3.266	0	A_G	0.958
3062	3.266	0	B_3G	0.958
3062	3.266	8.776	B_2U	0.958
3061	3.267	26.4	B_1U	0.958
3060	3.267	0	B_3G	0.958
3060	3.268	0	A_G	0.958
3059	3.269	14.12	B_1U	0.958
3058	3.27	34.6	B_2U	0.958
3058	3.27	0	A_G	0.958
3057	3.271	0	B_3G	0.958
3057	3.271	2.932	B_1U	0.958
3057	3.271	0.2524	B_2U	0.958
3057	3.271	0	B_3G	0.958
1604	6.234	0	A_G	0.958
1602	6.242	57	B_2U	0.958
1591	6.287	0	A_G	0.958
1587	6.303	0	B_3G	0.958
1585	6.31	66.51	B_1U	0.958
1582	6.323	216.4	B_1U	0.958
1579	6.332	79.01	B_2U	0.958
1579	6.334	0	B_3G	0.958
1570	6.371	263.2	B_1U	0.958
1569	6.373	0	A_G	0.958
1568	6.377	0	B_3G	0.958
1561	6.406	5.264	B_2U	0.958
1548	6.459	0	A_G	0.958
1544	6.477	1.852	B_1U	0.958
1539	6.496	0	B_3G	0.958
1530	6.534	0	A_G	0.958
1522	6.571	80.71	B_1U	0.958
1520	6.577	2.535	B_2U	0.958
1503	6.653	6.811	B_2U	0.958
1485	6.735	0	A_G	0.958
1482	6.746	0	A_G	0.958
1482	6.747	0	B_3G	0.958
1480	6.755	165.8	B_1U	0.958
1479	6.762	0	B_3G	0.958
1470	6.804	3.481	B_1U	0.958
1466	6.823	9.474	B_2U	0.958
1465	6.828	0	B_3G	0.958
1451	6.893	7.307	B_2U	0.958
1442	6.936	60.63	B_1U	0.958
1442	6.937	0	A_G	0.958
1440	6.945	0	B_3G	0.958
1436	6.965	22.55	B_2U	0.958
1432	6.985	0	B_3G	0.958
1429	6.998	0.1935	B_1U	0.958
1426	7.012	0	A_G	0.958
1417	7.059	15.94	B_2U	0.958
1416	7.062	0.2207	B_1U	0.958
1413	7.079	0	B_3G	0.958
1409	7.095	0	A_G	0.958
1400	7.144	0	B_3G	0.958
1396	7.163	0	A_G	0.958
1395	7.166	2.731	B_2U	0.958
1387	7.207	5.248	B_2U	0.958
1387	7.211	1.577	B_1U	0.958
1381	7.24	15.27	B_1U	0.958
1378	7.255	0	A_G	0.958
1378	7.255	30.23	B_1U	0.958
1376	7.269	0	A_G	0.958
1373	7.283	7.29	B_2U	0.958
1372	7.288	0	B_3G	0.958
1363	7.335	0	B_3G	0.958
1363	7.338	0.9428	B_2U	0.958
1358	7.365	0	A_G	0.958
1346	7.428	0	A_G	0.958
1341	7.459	292.9	B_1U	0.958
1337	7.478	0	B_3G	0.958
1335	7.493	122.1	B_2U	0.958
1326	7.543	0	B_3G	0.958
1321	7.569	23.21	B_1U	0.958
1320	7.577	20.21	B_2U	0.958
1316	7.6	0	A_G	0.958
1310	7.632	236.7	B_2U	0.958
1287	7.771	0	A_G	0.958
1285	7.781	0	B_3G	0.958
1283	7.797	10.5	B_1U	0.958
1277	7.83	0	B_3G	0.958
1273	7.856	0	A_G	0.958
1273	7.858	271.4	B_2U	0.958
1271	7.871	33.28	B_1U	0.958
1267	7.895	6.003	B_2U	0.958
1258	7.95	0	A_G	0.958
1227	8.15	0	B_3G	0.958
1221	8.193	20.68	B_1U	0.958
1213	8.245	94.02	B_2U	0.958
1204	8.303	0	A_G	0.958
1198	8.345	82.15	B_1U	0.958
1198	8.35	130.4	B_2U	0.958
1196	8.36	0	B_3G	0.958
1190	8.401	0	A_G	0.958
1178	8.488	0	A_G	0.958
1175	8.512	0	B_3G	0.958
1172	8.536	13.14	B_2U	0.958
1168	8.564	9.419	B_1U	0.958
1158	8.636	0	B_3G	0.958
1152	8.684	3.727	B_2U	0.958
1147	8.716	0	A_G	0.958
1138	8.79	1.474	B_1U	0.958
1136	8.803	7.797	B_2U	0.958
1107	9.03	0	A_G	0.958
1085	9.217	2.407	B_2U	0.958
1082	9.241	5	B_1U	0.958
1054	9.489	0	B_3G	0.958
1039	9.623	0	A_G	0.958
1032	9.692	0	B_3G	0.958
1015	9.852	0	A_G	0.958
1004	9.961	3.569	B_2U	0.958
998.2	10.02	1.679	B_1U	0.958
988	10.12	0	B_2G	0.958
987.6	10.13	0	A_U	0.958
985.5	10.15	0	B_3G	0.958
985.5	10.15	0.0655	B_3U	0.958
984.6	10.16	0	B_1G	0.958
983.2	10.17	0	B_2G	0.958
982.6	10.18	0	A_U	0.958
981.8	10.19	9.073	B_1U	0.958
924	10.82	189.4	B_3U	0.958
923.1	10.83	0	B_2G	0.958
913.6	10.95	0	B_1G	0.958
912.4	10.96	0.339	B_1U	0.958
910.1	10.99	53.04	B_3U	0.958
903.2	11.07	0	A_U	0.958
900	11.11	0	B_2G	0.958
890.2	11.23	0	A_G	0.958
884.4	11.31	17.36	B_2U	0.958
878.4	11.38	0	B_3G	0.958
876.6	11.41	0	B_1G	0.958
875.1	11.43	0	A_U	0.958
857.2	11.67	0.763	B_1U	0.958
848.8	11.78	0	A_G	0.958
839.2	11.92	0	B_3G	0.958
828.9	12.06	0.0417	B_1U	0.958
825.2	12.12	6.286	B_2U	0.958
822.1	12.16	4.599	B_3U	0.958
817.7	12.23	0	B_1G	0.958
809.2	12.36	0	B_2G	0.958
801.8	12.47	0	A_U	0.958
793.9	12.6	57.07	B_3U	0.958
790.3	12.65	0	B_1G	0.958
782.6	12.78	0	B_3G	0.958
781.2	12.8	0	B_2G	0.958
780.3	12.82	0	A_G	0.958
777.4	12.86	1.565	B_2U	0.958
774.2	12.92	0	A_U	0.958
772.4	12.95	0.3353	B_3U	0.958
768.6	13.01	0	B_1G	0.958
767.8	13.02	0	B_2G	0.958
764.3	13.08	0.2165	B_1U	0.958
761.3	13.13	0	A_U	0.958
746.3	13.4	7.55	B_3U	0.958
741.4	13.49	0	B_2G	0.958
732.6	13.65	1.022	B_2U	0.958
729.3	13.71	0	B_2G	0.958
718.5	13.92	0	A_U	0.958
716.8	13.95	0	B_3G	0.958
707.4	14.14	0	B_1G	0.958
705.7	14.17	6.998	B_3U	0.958
694.3	14.4	0	A_G	0.958
689.7	14.5	0	B_2G	0.958
688.7	14.52	0	B_1G	0.958
688.4	14.53	0.135	B_1U	0.958
682.7	14.65	0	A_U	0.958
682.2	14.66	0	B_3G	0.958
674.1	14.83	4.027	B_3U	0.958
657	15.22	0	B_3G	0.958
645.1	15.5	0	A_G	0.958
642.3	15.57	1.29	B_2U	0.958
636.4	15.71	0	A_G	0.958
633.5	15.78	1.092	B_1U	0.958
623.1	16.05	0	B_2G	0.958
618	16.18	3.814	B_2U	0.958
611.6	16.35	0	B_3G	0.958
606.5	16.49	0	B_2G	0.958
605.9	16.5	0	A_U	0.958
604.7	16.54	0	B_1G	0.958
603.7	16.57	17.47	B_3U	0.958
599.7	16.68	0	A_U	0.958
598.8	16.7	0.8696	B_2U	0.958
584.9	17.1	0.0163	B_3U	0.958
579.6	17.25	0.015	B_1U	0.958
573.8	17.43	0	A_G	0.958
572.6	17.46	0	B_2G	0.958
569	17.57	0	B_1G	0.958
566.8	17.64	0	B_3G	0.958
560.1	17.86	12.4	B_3U	0.958
559.5	17.87	0	B_2G	0.958
551.5	18.13	0	B_1G	0.958
548.6	18.23	0.0388	B_1U	0.958
546.3	18.3	0	A_U	0.958
531.1	18.83	0	A_G	0.958
519.3	19.25	0.0696	B_1U	0.958
519	19.27	2.15	B_2U	0.958
508.9	19.65	0.1494	B_3U	0.958
508.3	19.67	0	B_3G	0.958
491.1	20.36	3.421	B_2U	0.958
481.2	20.78	0.0137	B_1U	0.958
474.5	21.07	0	B_3G	0.958
453.6	22.05	0	B_2G	0.958
452.8	22.09	0	A_U	0.958
441.6	22.65	2.112	B_2U	0.958
439.1	22.77	0.9832	B_1U	0.958
430.3	23.24	0	B_1G	0.958
419.9	23.82	0	A_G	0.958
412.4	24.25	0	B_3G	0.958
406.4	24.61	0	B_1G	0.958
400.6	24.96	0	B_2G	0.958
400.4	24.98	0	A_U	0.958
396.9	25.2	2.988	B_3U	0.958
389.3	25.69	0	A_U	0.958
363.4	27.52	0	B_2G	0.958
359.6	27.81	2.498	B_3U	0.958
358.8	27.87	0	B_3G	0.958
353.2	28.32	0	A_U	0.958
352	28.41	0.2253	B_1U	0.958
330.9	30.22	0	A_G	0.958
316	31.65	0.0166	B_3U	0.958
315.1	31.73	0	B_2G	0.958
314.9	31.76	0	B_1G	0.958
312.8	31.96	0.1593	B_2U	0.958
291.1	34.35	0	A_G	0.958
273	36.63	0	B_2G	0.958
270.8	36.93	9.824	B_2U	0.958
267.4	37.4	0	B_1G	0.958
249.6	40.06	0	B_1G	0.958
249	40.16	0	A_U	0.958
246.1	40.64	1.793	B_3U	0.958
227.9	43.89	0	A_G	0.958
222.3	44.98	0	B_3G	0.958
219.3	45.61	1.774	B_3U	0.958
210.6	47.48	2.164	B_1U	0.958
178.6	55.99	0	B_2G	0.958
175.9	56.85	0	B_1G	0.958
173.5	57.63	3.586	B_3U	0.958
173	57.82	0	A_U	0.958
126.8	78.84	0	A_U	0.958
118.8	84.18	0	B_2G	0.958
111.5	89.65	0.1126	B_3U	0.958
96.28	103.9	0	B_1G	0.958
78.85	126.8	0	B_2G	0.958
63.94	156.4	0	B_1G	0.958
46.03	217.3	3.803	B_3U	0.958
33.45	299	0.4164	B_3U	0.958
32.28	309.8	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