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	hartrees
Energy at 0K	-362.685958
Energy at 298.15K	-362.693706
HF Energy	-361.465154
Nuclear repulsion energy	400.456711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3677	3465	82.84
2	A'	3309	3118	3.13
3	A'	3290	3100	0.70
4	A'	3243	3056	19.64
5	A'	3231	3045	25.03
6	A'	3220	3034	0.95
7	A'	3215	3029	3.21
8	A'	1706	1607	4.50
9	A'	1651	1556	1.51
10	A'	1590	1498	3.53
11	A'	1555	1465	8.67
12	A'	1543	1453	11.36
13	A'	1503	1416	5.65
14	A'	1460	1376	67.13
15	A'	1408	1327	7.54
16	A'	1339	1261	5.12
17	A'	1291	1216	13.17
18	A'	1254	1182	2.09
19	A'	1208	1138	1.64
20	A'	1174	1107	1.82
21	A'	1139	1073	16.28
22	A'	1112	1048	5.13
23	A'	1054	993	3.82
24	A'	917	864	5.36
25	A'	899	847	1.19
26	A'	782	737	2.24
27	A'	620	584	0.91
28	A'	555	523	0.08
29	A'	401	378	4.03
30	A"	874	824	0.04
31	A"	850	801	0.14
32	A"	804	758	1.37
33	A"	769	725	2.36
34	A"	722	681	95.00
35	A"	708	667	48.56
36	A"	596	561	3.60
37	A"	556	523	0.08
38	A"	420	396	2.14
39	A"	397	374	9.99
40	A"	361	340	78.37
41	A"	231	217	0.00
42	A"	209	196	10.67

Atom	x (Å)	y (Å)
N1	-1.091	1.552
C2	-2.247	0.803
C3	-1.923	-0.532
C4	0.423	-1.681
C5	1.779	-1.396
C6	2.247	-0.065
C7	1.368	1.008
C8	0.000	0.715
C9	-0.497	-0.617
H10	-1.052	2.563
H11	-3.215	1.286
H12	-2.626	-1.355
H13	0.073	-2.712
H14	2.500	-2.210
H15	3.318	0.123
H16	1.731	2.034

	N1	C2	C3	C4	C5	C6	C7	C8	C9	H10	H11	H12	H13	H14	H15	H16
N1		1.3782	2.2447	3.5703	4.1142	3.7091	2.5184	1.3753	2.2493	1.0110	2.1412	3.2878	4.4200	5.2004	4.6346	2.8625
C2	1.3782		1.3740	3.6467	4.5872	4.5774	3.6211	2.2488	2.2537	2.1275	1.0821	2.1907	4.2113	5.6219	5.6065	4.1643
C3	2.2447	1.3740		2.6117	3.8010	4.1962	3.6336	2.2916	1.4283	3.2153	2.2311	1.0821	2.9551	4.7296	5.2817	4.4649
C4	3.5703	3.6467	2.6117		1.3860	2.4377	2.8507	2.4329	1.4065	4.4928	4.6947	3.0661	1.0881	2.1430	3.4117	3.9387
C5	4.1142	4.5872	3.8010	1.3860		1.4110	2.4387	2.7602	2.4054	4.8665	5.6688	4.4051	2.1544	1.0871	2.1626	3.4299
C6	3.7091	4.5774	4.1962	2.4377	1.4110		1.3871	2.3787	2.7993	4.2176	5.6272	5.0412	3.4254	2.1598	1.0872	2.1612
C7	2.5184	3.6211	3.6336	2.8507	2.4387	1.3871		1.3994	2.4739	2.8763	4.5919	4.6408	3.9387	3.4110	2.1412	1.0880
C8	1.3753	2.2488	2.2916	2.4329	2.7602	2.3787	1.3994		1.4214	2.1264	3.2656	3.3434	3.4270	3.8471	3.3704	2.1765
C9	2.2493	2.2537	1.4283	1.4065	2.4054	2.7993	2.4739	1.4214		3.2279	3.3184	2.2532	2.1707	3.3934	3.8863	3.4629
H10	1.0110	2.1275	3.2153	4.4928	4.8665	4.2176	2.8763	2.1264	3.2279		2.5120	4.2220	5.3930	5.9488	5.0046	2.8327
H11	2.1412	1.0821	2.2311	4.6947	5.6688	5.6272	4.5919	3.2656	3.3184	2.5120		2.7060	5.1765	6.6993	6.6360	5.0025
H12	3.2878	2.1907	1.0821	3.0661	4.4051	5.0412	4.6408	3.3434	2.2532	4.2220	2.7060		3.0209	5.1962	6.1251	5.5197
H13	4.4200	4.2113	2.9551	1.0881	2.1544	3.4254	3.9387	3.4270	2.1707	5.3930	5.1765	3.0209		2.4777	4.3089	5.0267
H14	5.2004	5.6219	4.7296	2.1430	1.0871	2.1598	3.4110	3.8471	3.3934	5.9488	6.6993	5.1962	2.4777		2.4727	4.3127
H15	4.6346	5.6065	5.2817	3.4117	2.1626	1.0872	2.1412	3.3704	3.8863	5.0046	6.6360	6.1251	4.3089	2.4727		2.4836
H16	2.8625	4.1643	4.4649	3.9387	3.4299	2.1612	1.0880	2.1765	3.4629	2.8327	5.0025	5.5197	5.0267	4.3127	2.4836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	109.297	N1	C2	H11	120.513
N1	C8	C7	130.362	N1	C8	C9	107.070
C2	N1	C8	109.515	C2	N1	H10	125.159
C2	C3	C9	107.057	C2	C3	H12	125.814
C3	C2	H11	130.190	C3	C9	C4	134.236
C3	C9	C8	107.061	C4	C5	C6	121.274
C4	C5	H14	119.623	C4	C9	C8	118.702
C5	C4	C9	118.948	C5	C4	H13	120.627
C5	C6	C7	121.280	C5	C6	H15	119.353
C6	C5	H14	119.102	C6	C7	C8	117.227
C6	C7	H16	121.183	C7	C6	H15	119.367
C7	C8	C9	122.569	C8	N1	H10	125.326
C8	C7	H16	121.590	C9	C3	H12	127.129
C9	C4	H13	120.425

All results from a given calculation for C₈H₇N (Indole)

using model chemistry: MP2=FULL/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C8H7N (Indole)

using model chemistry: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for C₈H₇N (Indole)