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	hartrees
Energy at 0K	-362.796233
Energy at 298.15K
HF Energy	-361.493107
Nuclear repulsion energy	400.442051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3806	3546	84.94
2	A'	3363	3133	3.64
3	A'	3342	3113	1.16
4	A'	3298	3073	18.52
5	A'	3286	3061	29.64
6	A'	3274	3050	2.29
7	A'	3268	3045	1.85
8	A'	1724	1606	5.48
9	A'	1679	1565	0.16
10	A'	1610	1500	11.19
11	A'	1575	1467	8.64
12	A'	1537	1432	30.89
13	A'	1501	1399	25.72
14	A'	1427	1329	5.21
15	A'	1395	1300	40.76
16	A'	1339	1248	11.42
17	A'	1303	1214	11.25
18	A'	1258	1172	4.53
19	A'	1201	1119	2.45
20	A'	1174	1094	1.78
21	A'	1141	1063	24.97
22	A'	1120	1044	6.65
23	A'	1056	984	5.37
24	A'	928	865	5.84
25	A'	901	840	1.38
26	A'	787	733	3.65
27	A'	627	584	1.23
28	A'	558	520	0.13
29	A'	407	379	4.60
30	A"	902	840	0.00
31	A"	896	834	0.00
32	A"	822	766	1.04
33	A"	817	761	0.03
34	A"	736	685	133.68
35	A"	719	670	42.01
36	A"	586	546	3.69
37	A"	516	481	0.26
38	A"	385	358	13.58
39	A"	293	273	11.67
40	A"	230	214	29.79
41	A"	188	175	41.22
42	A"	201i	187i	0.37

Atom	x (Å)	y (Å)
N1	-1.087	1.563
C2	-2.247	0.812
C3	-1.935	-0.521
C4	0.420	-1.685
C5	1.778	-1.409
C6	2.251	-0.075
C7	1.375	1.000
C8	0.000	0.713
C9	-0.494	-0.613
H10	-1.044	2.564
H11	-3.209	1.295
H12	-2.635	-1.337
H13	0.065	-2.706
H14	2.491	-2.221
H15	3.316	0.109
H16	1.738	2.018

	N1	C2	C3	C4	C5	C6	C7	C8	C9	H10	H11	H12	H13	H14	H15	H16
N1		1.3828	2.2501	3.5806	4.1283	3.7183	2.5253	1.3799	2.2550	1.0016	2.1389	3.2876	4.4221	5.2075	4.6367	2.8610
C2	1.3828		1.3690	3.6535	4.5977	4.5854	3.6273	2.2496	2.2588	2.1254	1.0757	2.1834	4.2100	5.6258	5.6077	4.1640
C3	2.2501	1.3690		2.6265	3.8178	4.2098	3.6423	2.2946	1.4432	3.2108	2.2180	1.0752	2.9621	4.7409	5.2883	4.4649
C4	3.5806	3.6535	2.6265		1.3863	2.4388	2.8497	2.4343	1.4092	4.4942	4.6951	3.0745	1.0810	2.1394	3.4067	3.9307
C5	4.1283	4.5977	3.8178	1.3863		1.4156	2.4424	2.7685	2.4082	4.8737	5.6727	4.4139	2.1489	1.0801	2.1606	3.4273
C6	3.7183	4.5854	4.2098	2.4388	1.4156		1.3867	2.3852	2.7980	4.2221	5.6291	5.0467	3.4211	2.1591	1.0803	2.1549
C7	2.5253	3.6273	3.6423	2.8497	2.4424	1.3867		1.4046	2.4687	2.8811	4.5930	4.6411	3.9306	3.4083	2.1358	1.0811
C8	1.3799	2.2496	2.2946	2.4343	2.7685	2.3852	1.4046		1.4146	2.1255	3.2610	3.3383	3.4196	3.8484	3.3705	2.1736
C9	2.2550	2.2588	1.4432	1.4092	2.4082	2.7980	2.4687	1.4146		3.2238	3.3173	2.2598	2.1670	3.3910	3.8781	3.4502
H10	1.0016	2.1254	3.2108	4.4942	4.8737	4.2221	2.8811	2.1255	3.2238		2.5088	4.2126	5.3857	5.9492	5.0042	2.8356
H11	2.1389	1.0757	2.2180	4.6951	5.6727	5.6291	4.5930	3.2610	3.3173	2.5088		2.6934	5.1695	6.6966	6.6315	4.9992
H12	3.2876	2.1834	1.0752	3.0745	4.4139	5.0467	4.6411	3.3383	2.2598	4.2126	2.6934		3.0274	5.2016	6.1240	5.5117
H13	4.4221	4.2100	2.9621	1.0810	2.1489	3.4211	3.9306	3.4196	2.1670	5.3857	5.1695	3.0274		2.4741	4.3003	5.0117
H14	5.2075	5.6258	4.7409	2.1394	1.0801	2.1591	3.4083	3.8484	3.3910	5.9492	6.6966	5.2016	2.4741		2.4711	4.3050
H15	4.6367	5.6077	5.2883	3.4067	2.1606	1.0803	2.1358	3.3705	3.8781	5.0042	6.6315	6.1240	4.3003	2.4711		2.4770
H16	2.8610	4.1640	4.4649	3.9307	3.4273	2.1549	1.0811	2.1736	3.4502	2.8356	4.9992	5.5117	5.0117	4.3050	2.4770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	109.711	N1	C2	H11	120.406
N1	C8	C7	130.161	N1	C8	C9	107.592
C2	N1	C8	109.033	C2	N1	H10	125.329
C2	C3	C9	106.848	C2	C3	H12	126.156
C3	C2	H11	129.883	C3	C9	C4	134.086
C3	C9	C8	106.816	C4	C5	C6	121.005
C4	C5	H14	119.809	C4	C9	C8	119.098
C5	C4	C9	118.963	C5	C4	H13	120.638
C5	C6	C7	121.277	C5	C6	H15	119.306
C6	C5	H14	119.186	C6	C7	C8	117.410
C6	C7	H16	121.176	C7	C6	H15	119.416
C7	C8	C9	122.247	C8	N1	H10	125.638
C8	C7	H16	121.415	C9	C3	H12	126.996
C9	C4	H13	120.400

All results from a given calculation for C₈H₇N (Indole)

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₈H₇N (Indole)