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	hartrees
Energy at 0K	-362.670313
Energy at 298.15K	-362.678163
HF Energy	-361.465791
Nuclear repulsion energy	400.268641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3736	3506	79.56
2	A'	3320	3116	4.85
3	A'	3300	3097	1.00
4	A'	3254	3055	20.61
5	A'	3243	3044	30.00
6	A'	3231	3033	2.03
7	A'	3225	3027	1.46
8	A'	1729	1623	5.07
9	A'	1684	1581	0.36
10	A'	1617	1517	6.31
11	A'	1577	1480	10.44
12	A'	1540	1446	35.18
13	A'	1501	1408	28.04
14	A'	1423	1336	5.98
15	A'	1392	1306	36.96
16	A'	1345	1262	5.88
17	A'	1302	1222	13.05
18	A'	1260	1183	3.21
19	A'	1208	1134	3.06
20	A'	1179	1107	1.95
21	A'	1144	1074	21.30
22	A'	1124	1055	6.31
23	A'	1062	997	3.41
24	A'	930	872	5.64
25	A'	903	847	1.20
26	A'	789	741	3.99
27	A'	628	590	1.04
28	A'	560	526	0.11
29	A'	406	381	4.09
30	A"	890	835	0.00
31	A"	876	822	0.00
32	A"	817	766	1.04
33	A"	802	753	0.35
34	A"	735	690	103.91
35	A"	723	678	39.59
36	A"	602	565	1.68
37	A"	581	545	0.13
38	A"	473	444	0.25
39	A"	406	381	4.81
40	A"	325	305	90.14
41	A"	234	220	0.97
42	A"	208	195	18.68

Atom	x (Å)	y (Å)
N1	-1.089	1.557
C2	-2.249	0.805
C3	-1.931	-0.525
C4	0.423	-1.682
C5	1.779	-1.402
C6	2.249	-0.069
C7	1.372	1.004
C8	0.000	0.712
C9	-0.494	-0.613
H10	-1.048	2.563
H11	-3.215	1.289
H12	-2.633	-1.347
H13	0.070	-2.710
H14	2.498	-2.216
H15	3.319	0.117
H16	1.735	2.028

	N1	C2	C3	C4	C5	C6	C7	C8	C9	H10	H11	H12	H13	H14	H15	H16
N1		1.3823	2.2460	3.5742	4.1204	3.7125	2.5228	1.3784	2.2498	1.0067	2.1433	3.2893	4.4211	5.2057	4.6374	2.8632
C2	1.3823		1.3673	3.6496	4.5920	4.5813	3.6265	2.2504	2.2554	2.1289	1.0812	2.1860	4.2100	5.6259	5.6101	4.1675
C3	2.2460	1.3673		2.6226	3.8116	4.2045	3.6399	2.2931	1.4392	3.2117	2.2227	1.0813	2.9620	4.7403	5.2892	4.4677
C4	3.5742	3.6496	2.6226		1.3841	2.4362	2.8482	2.4306	1.4085	4.4922	4.6970	3.0747	1.0870	2.1422	3.4092	3.9351
C5	4.1204	4.5920	3.8116	1.3841		1.4138	2.4396	2.7625	2.4060	4.8692	5.6727	4.4123	2.1519	1.0863	2.1635	3.4304
C6	3.7125	4.5813	4.2045	2.4362	1.4138		1.3848	2.3804	2.7965	4.2183	5.6302	5.0468	3.4240	2.1620	1.0864	2.1588
C7	2.5228	3.6265	3.6399	2.8482	2.4396	1.3848		1.4032	2.4693	2.8793	4.5966	4.6447	3.9352	3.4108	2.1392	1.0869
C8	1.3784	2.2504	2.2931	2.4306	2.7625	2.3804	1.4032		1.4139	2.1271	3.2667	3.3428	3.4222	3.8486	3.3722	2.1781
C9	2.2498	2.2554	1.4392	1.4085	2.4060	2.7965	2.4693	1.4139		3.2236	3.3197	2.2617	2.1713	3.3944	3.8827	3.4563
H10	1.0067	2.1289	3.2117	4.4922	4.8692	4.2183	2.8793	2.1271	3.2236		2.5140	4.2191	5.3897	5.9507	5.0056	2.8343
H11	2.1433	1.0812	2.2227	4.6970	5.6727	5.6302	4.5966	3.2667	3.3197	2.5140		2.6994	5.1748	6.7024	6.6388	5.0056
H12	3.2893	2.1860	1.0813	3.0747	4.4123	5.0468	4.6447	3.3428	2.2617	4.2191	2.6994		3.0270	5.2040	6.1301	5.5208
H13	4.4211	4.2100	2.9620	1.0870	2.1519	3.4240	3.9352	3.4222	2.1713	5.3897	5.1748	3.0270		2.4775	4.3069	5.0221
H14	5.2057	5.6259	4.7403	2.1422	1.0863	2.1620	3.4108	3.8486	3.3944	5.9507	6.7024	5.2040	2.4775		2.4737	4.3124
H15	4.6374	5.6101	5.2892	3.4092	2.1635	1.0864	2.1392	3.3722	3.8827	5.0056	6.6388	6.1301	4.3069	2.4737		2.4823
H16	2.8632	4.1675	4.4677	3.9351	3.4304	2.1588	1.0869	2.1781	3.4563	2.8343	5.0056	5.5208	5.0221	4.3124	2.4823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	109.537	N1	C2	H11	120.427
N1	C8	C7	130.179	N1	C8	C9	107.355
C2	N1	C8	109.210	C2	N1	H10	125.294
C2	C3	C9	106.925	C2	C3	H12	126.041
C3	C2	H11	130.036	C3	C9	C4	134.127
C3	C9	C8	106.973	C4	C5	C6	121.087
C4	C5	H14	119.780	C4	C9	C8	118.900
C5	C4	C9	118.977	C5	C4	H13	120.634
C5	C6	C7	121.315	C5	C6	H15	119.260
C6	C5	H14	119.133	C6	C7	C8	117.256
C6	C7	H16	121.240	C7	C6	H15	119.425
C7	C8	C9	122.465	C8	N1	H10	125.496
C8	C7	H16	121.504	C9	C3	H12	127.034
C9	C4	H13	120.389

All results from a given calculation for C₈H₇N (Indole)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₈H₇N (Indole)