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	hartrees
Energy at 0K	-362.763925
Energy at 298.15K	-362.772000
HF Energy	-361.506572
Nuclear repulsion energy	397.233461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3666	3516	81.10
2	A'	3290	3155	1.52
3	A'	3269	3135	0.76
4	A'	3227	3094	15.06
5	A'	3215	3083	22.37
6	A'	3202	3071	1.47
7	A'	3197	3066	1.73
8	A'	1664	1596	4.67
9	A'	1609	1543	0.49
10	A'	1548	1484	3.85
11	A'	1522	1459	9.16
12	A'	1501	1440	3.35
13	A'	1451	1391	12.40
14	A'	1430	1371	58.41
15	A'	1358	1303	8.32
16	A'	1298	1245	10.42
17	A'	1248	1197	8.64
18	A'	1217	1168	2.21
19	A'	1156	1109	0.92
20	A'	1132	1086	1.79
21	A'	1104	1059	17.41
22	A'	1073	1029	3.80
23	A'	1022	980	6.29
24	A'	898	861	4.83
25	A'	874	838	1.57
26	A'	765	733	2.00
27	A'	604	579	0.92
28	A'	538	516	0.07
29	A'	392	376	4.27
30	A"	913	876	0.00
31	A"	895	858	0.75
32	A"	819	785	0.67
33	A"	812	779	2.29
34	A"	735	705	129.17
35	A"	722	692	2.58
36	A"	680	652	11.64
37	A"	606	581	9.78
38	A"	547	525	0.66
39	A"	427	409	51.00
40	A"	414	397	14.05
41	A"	236	226	0.26
42	A"	211	202	9.86

Atom	x (Å)	y (Å)
N1	-1.097	1.565
C2	-2.263	0.815
C3	-1.938	-0.536
C4	0.423	-1.698
C5	1.792	-1.410
C6	2.266	-0.068
C7	1.380	1.016
C8	0.000	0.722
C9	-0.501	-0.621
H10	-1.057	2.577
H11	-3.236	1.304
H12	-2.651	-1.360
H13	0.069	-2.734
H14	2.517	-2.230
H15	3.344	0.121
H16	1.747	2.047

	N1	C2	C3	C4	C5	C6	C7	C8	C9	H10	H11	H12	H13	H14	H15	H16
N1		1.3860	2.2639	3.5998	4.1475	3.7389	2.5368	1.3837	2.2665	1.0123	2.1546	3.3123	4.4544	5.2406	4.6698	2.8850
C2	1.3860		1.3902	3.6780	4.6254	4.6142	3.6478	2.2646	2.2731	2.1345	1.0891	2.2094	4.2466	5.6673	5.6492	4.1950
C3	2.2639	1.3902		2.6312	3.8313	4.2304	3.6633	2.3111	1.4396	3.2356	2.2521	1.0890	2.9762	4.7662	5.3227	4.5011
C4	3.5998	3.6780	2.6312		1.3991	2.4605	2.8780	2.4568	1.4186	4.5237	4.7327	3.0925	1.0944	2.1607	3.4410	3.9725
C5	4.1475	4.6254	3.8313	1.3991		1.4234	2.4615	2.7855	2.4251	4.9005	5.7138	4.4435	2.1723	1.0941	2.1800	3.4578
C6	3.7389	4.6142	4.2304	2.4605	1.4234		1.4007	2.4000	2.8221	4.2474	5.6705	5.0841	3.4541	2.1761	1.0941	2.1780
C7	2.5368	3.6478	3.6633	2.8780	2.4615	1.4007		1.4106	2.4940	2.8936	4.6244	4.6790	3.9724	3.4396	2.1586	1.0945
C8	1.3837	2.2646	2.3111	2.4568	2.7855	2.4000	1.4106		1.4341	2.1348	3.2878	3.3710	3.4566	3.8793	3.3973	2.1929
C9	2.2665	2.2731	1.4396	1.4186	2.4251	2.8221	2.4940	1.4341		3.2462	3.3446	2.2732	2.1879	3.4200	3.9159	3.4897
H10	1.0123	2.1345	3.2356	4.5237	4.9005	4.2474	2.8936	2.1348	3.2462		2.5231	4.2470	5.4286	5.9898	5.0397	2.8542
H11	2.1546	1.0891	2.2521	4.7327	5.7138	5.6705	4.6244	3.2878	3.3446	2.5231		2.7273	5.2181	6.7516	6.6851	5.0383
H12	3.3123	2.2094	1.0890	3.0925	4.4435	5.0841	4.6790	3.3710	2.2732	4.2470	2.7273		3.0478	5.2410	6.1750	5.5637
H13	4.4544	4.2466	2.9762	1.0944	2.1723	3.4541	3.9724	3.4566	2.1879	5.4286	5.2181	3.0478		2.4991	4.3440	5.0668
H14	5.2406	5.6673	4.7662	2.1607	1.0941	2.1761	3.4396	3.8793	3.4200	5.9898	6.7516	5.2410	2.4991		2.4918	4.3456
H15	4.6698	5.6492	5.3227	3.4410	2.1800	1.0941	2.1586	3.3973	3.9159	5.0397	6.6851	6.1750	4.3440	2.4918		2.5017
H16	2.8850	4.1950	4.5011	3.9725	3.4578	2.1780	1.0945	2.1929	3.4897	2.8542	5.0383	5.5637	5.0668	4.3456	2.5017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	109.266	N1	C2	H11	120.567
N1	C8	C7	130.421	N1	C8	C9	107.084
C2	N1	C8	109.698	C2	N1	H10	125.019
C2	C3	C9	106.877	C2	C3	H12	125.612
C3	C2	H11	130.167	C3	C9	C4	134.024
C3	C9	C8	107.075	C4	C5	C6	121.318
C4	C5	H14	119.640	C4	C9	C8	118.901
C5	C4	C9	118.778	C5	C4	H13	120.707
C5	C6	C7	121.283	C5	C6	H15	119.410
C6	C5	H14	119.043	C6	C7	C8	117.225
C6	C7	H16	121.103	C7	C6	H15	119.306
C7	C8	C9	122.495	C8	N1	H10	125.283
C8	C7	H16	121.672	C9	C3	H12	127.510
C9	C4	H13	120.516

All results from a given calculation for C₈H₇N (Indole)

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₈H₇N (Indole)