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	hartrees
Energy at 0K	-362.815665
Energy at 298.15K	-362.822839
HF Energy	-361.544337
Nuclear repulsion energy	399.592601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3698	3514	84.29
2	A'	3290	3126	3.03
3	A'	3270	3107	0.63
4	A'	3227	3066	17.99
5	A'	3215	3055	26.96
6	A'	3204	3044	1.47
7	A'	3198	3038	2.16
8	A'	1678	1595	4.95
9	A'	1623	1542	1.31
10	A'	1558	1480	4.52
11	A'	1527	1451	10.08
12	A'	1518	1442	5.14
13	A'	1475	1402	6.78
14	A'	1439	1368	64.04
15	A'	1379	1310	7.79
16	A'	1317	1252	6.76
17	A'	1265	1202	10.72
18	A'	1229	1168	3.12
19	A'	1172	1113	1.12
20	A'	1147	1090	2.87
21	A'	1119	1063	14.75
22	A'	1084	1030	4.15
23	A'	1031	980	4.57
24	A'	907	862	5.54
25	A'	885	841	1.35
26	A'	771	732	2.07
27	A'	611	580	0.98
28	A'	547	520	0.06
29	A'	395	375	4.09
30	A"	871	827	0.14
31	A"	849	807	0.08
32	A"	794	755	0.35
33	A"	784	745	0.75
34	A"	709	674	114.01
35	A"	700	665	32.95
36	A"	590	560	2.63
37	A"	521	495	0.17
38	A"	381	362	14.83
39	A"	316	300	50.49
40	A"	256	243	5.68
41	A"	200	190	14.97
42	A"	50	47	0.07

Atom	x (Å)	y (Å)
N1	-1.088	1.558
C2	-2.249	0.813
C3	-1.930	-0.529
C4	0.420	-1.688
C5	1.781	-1.404
C6	2.253	-0.070
C7	1.373	1.007
C8	0.000	0.717
C9	-0.500	-0.619
H10	-1.047	2.565
H11	-3.214	1.300
H12	-2.637	-1.347
H13	0.068	-2.716
H14	2.499	-2.219
H15	3.324	0.116
H16	1.737	2.032

	N1	C2	C3	C4	C5	C6	C7	C8	C9	H10	H11	H12	H13	H14	H15	H16
N1		1.3788	2.2502	3.5790	4.1236	3.7172	2.5223	1.3755	2.2544	1.0076	2.1413	3.2919	4.4277	5.2091	4.6417	2.8647
C2	1.3788		1.3794	3.6573	4.5990	4.5879	3.6269	2.2507	2.2597	2.1244	1.0816	2.1948	4.2215	5.6334	5.6158	4.1676
C3	2.2502	1.3794		2.6202	3.8125	4.2086	3.6428	2.2972	1.4326	3.2173	2.2352	1.0812	2.9622	4.7407	5.2933	4.4725
C4	3.5790	3.6573	2.6202		1.3900	2.4450	2.8584	2.4410	1.4108	4.4982	4.7050	3.0758	1.0872	2.1459	3.4185	3.9456
C5	4.1236	4.5990	3.8125	1.3900		1.4151	2.4453	2.7693	2.4124	4.8727	5.6800	4.4179	2.1579	1.0864	2.1661	3.4359
C6	3.7172	4.5879	4.2086	2.4450	1.4151		1.3912	2.3869	2.8077	4.2227	5.6367	5.0543	3.4321	2.1628	1.0865	2.1643
C7	2.5223	3.6269	3.6428	2.8584	2.4453	1.3912		1.4034	2.4803	2.8775	4.5965	4.6499	3.9456	3.4170	2.1445	1.0872
C8	1.3755	2.2507	2.2972	2.4410	2.7693	2.3869	1.4034		1.4259	2.1236	3.2667	3.3486	3.4338	3.8555	3.3776	2.1784
C9	2.2544	2.2597	1.4326	1.4108	2.4124	2.8077	2.4803	1.4259		3.2296	3.3238	2.2575	2.1733	3.3997	3.8939	3.4681
H10	1.0076	2.1244	3.2173	4.4982	4.8727	4.2227	2.8775	2.1236	3.2296		2.5093	4.2227	5.3971	5.9544	5.0094	2.8340
H11	2.1413	1.0816	2.2352	4.7050	5.6800	5.6367	4.5965	3.2667	3.3238	2.5093		2.7099	5.1869	6.7103	6.6443	5.0047
H12	3.2919	2.1948	1.0812	3.0758	4.4179	5.0543	4.6499	3.3486	2.2575	4.2227	2.7099		3.0313	5.2095	6.1376	5.5268
H13	4.4277	4.2215	2.9622	1.0872	2.1579	3.4321	3.9456	3.4338	2.1733	5.3971	5.1869	3.0313		2.4819	4.3157	5.0327
H14	5.2091	5.6334	4.7407	2.1459	1.0864	2.1628	3.4170	3.8555	3.3997	5.9544	6.7103	5.2095	2.4819		2.4765	4.3184
H15	4.6417	5.6158	5.2933	3.4185	2.1661	1.0865	2.1445	3.3776	3.8939	5.0094	6.6443	6.1376	4.3157	2.4765		2.4874
H16	2.8647	4.1676	4.4725	3.9456	3.4359	2.1643	1.0872	2.1784	3.4681	2.8340	5.0047	5.5268	5.0327	4.3184	2.4874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	109.344	N1	C2	H11	120.513
N1	C8	C7	130.369	N1	C8	C9	107.157
C2	N1	C8	109.608	C2	N1	H10	125.078
C2	C3	C9	106.934	C2	C3	H12	125.820
C3	C2	H11	130.143	C3	C9	C4	134.295
C3	C9	C8	106.957	C4	C5	C6	121.295
C4	C5	H14	119.618	C4	C9	C8	118.747
C5	C4	C9	118.935	C5	C4	H13	120.693
C5	C6	C7	121.228	C5	C6	H15	119.392
C6	C5	H14	119.087	C6	C7	C8	117.321
C6	C7	H16	121.192	C7	C6	H15	119.380
C7	C8	C9	122.474	C8	N1	H10	125.314
C8	C7	H16	121.487	C9	C3	H12	127.246
C9	C4	H13	120.372

All results from a given calculation for C₈H₇N (Indole)

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

All results from a given calculation for C₈H₇N (Indole)