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	hartrees
Energy at 0K	-362.903533
Energy at 298.15K	-362.911690
HF Energy	-361.502741
Nuclear repulsion energy	400.888645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3719	3512	91.92
2	A'	3314	3130	0.92
3	A'	3294	3111	0.21
4	A'	3251	3071	10.88
5	A'	3239	3060	16.29
6	A'	3228	3049	0.61
7	A'	3222	3043	1.48
8	A'	1676	1583	4.88
9	A'	1622	1532	2.20
10	A'	1563	1476	3.06
11	A'	1528	1443	10.71
12	A'	1522	1438	1.87
13	A'	1477	1395	7.05
14	A'	1439	1359	63.21
15	A'	1380	1303	7.66
16	A'	1321	1248	5.95
17	A'	1267	1197	11.24
18	A'	1233	1165	2.52
19	A'	1179	1113	1.18
20	A'	1153	1089	2.74
21	A'	1121	1058	13.73
22	A'	1091	1031	3.89
23	A'	1036	979	3.70
24	A'	905	855	5.24
25	A'	884	835	1.12
26	A'	771	728	2.22
27	A'	608	575	0.88
28	A'	544	514	0.08
29	A'	395	374	3.64
30	A"	936	884	0.00
31	A"	897	848	0.52
32	A"	847	800	0.88
33	A"	820	775	4.29
34	A"	757	715	94.41
35	A"	746	705	1.78
36	A"	708	669	9.85
37	A"	615	581	7.40
38	A"	568	537	0.65
39	A"	425	401	25.93
40	A"	417	394	46.71
41	A"	242	229	0.07
42	A"	215	203	8.39

Atom	x (Å)	y (Å)
N1	-1.086	1.552
C2	-2.242	0.807
C3	-1.923	-0.530
C4	0.421	-1.682
C5	1.776	-1.397
C6	2.245	-0.067
C7	1.367	1.006
C8	0.000	0.714
C9	-0.498	-0.618
H10	-1.045	2.557
H11	-3.204	1.295
H12	-2.627	-1.347
H13	0.071	-2.709
H14	2.494	-2.208
H15	3.313	0.120
H16	1.727	2.028

	N1	C2	C3	C4	C5	C6	C7	C8	C9	H10	H11	H12	H13	H14	H15	H16
N1		1.3748	2.2440	3.5681	4.1097	3.7044	2.5131	1.3720	2.2490	1.0053	2.1333	3.2828	4.4155	5.1927	4.6266	2.8539
C2	1.3748		1.3746	3.6446	4.5825	4.5714	3.6137	2.2437	2.2521	2.1196	1.0788	2.1879	4.2084	5.6145	5.5970	4.1529
C3	2.2440	1.3746		2.6111	3.7990	4.1937	3.6301	2.2903	1.4273	3.2090	2.2296	1.0783	2.9534	4.7252	5.2760	4.4576
C4	3.5681	3.6446	2.6111		1.3853	2.4368	2.8493	2.4330	1.4054	4.4850	4.6902	3.0657	1.0847	2.1395	3.4080	3.9339
C5	4.1097	4.5825	3.7990	1.3853		1.4099	2.4369	2.7587	2.4037	4.8568	5.6608	4.4032	2.1516	1.0840	2.1593	3.4253
C6	3.7044	4.5714	4.1937	2.4368	1.4099		1.3867	2.3774	2.7984	4.2086	5.6170	5.0374	3.4215	2.1558	1.0839	2.1585
C7	2.5131	3.6137	3.6301	2.8493	2.4369	1.3867		1.3972	2.4728	2.8675	4.5797	4.6347	3.9339	3.4062	2.1384	1.0846
C8	1.3720	2.2437	2.2903	2.4330	2.7587	2.3774	1.3972		1.4229	2.1182	3.2562	3.3389	3.4239	3.8424	3.3658	2.1705
C9	2.2490	2.2521	1.4273	1.4054	2.4037	2.7984	2.4728	1.4229		3.2220	3.3138	2.2498	2.1665	3.3886	3.8821	3.4583
H10	1.0053	2.1196	3.2090	4.4850	4.8568	4.2086	2.8675	2.1182	3.2220		2.5007	4.2116	5.3826	5.9359	4.9931	2.8227
H11	2.1333	1.0788	2.2296	4.6902	5.6608	5.6170	4.5797	3.2562	3.3138	2.5007		2.7036	5.1724	6.6890	6.6220	4.9859
H12	3.2828	2.1879	1.0783	3.0657	4.4032	5.0374	4.6347	3.3389	2.2498	4.2116	2.7036		3.0223	5.1931	6.1183	5.5093
H13	4.4155	4.2084	2.9534	1.0847	2.1516	3.4215	3.9339	3.4239	2.1665	5.3826	5.1724	3.0223		2.4743	4.3028	5.0185
H14	5.1927	5.6145	4.7252	2.1395	1.0840	2.1558	3.4062	3.8424	3.3886	5.9359	6.6890	5.1931	2.4743		2.4684	4.3057
H15	4.6266	5.5970	5.2760	3.4080	2.1593	1.0839	2.1384	3.3658	3.8821	4.9931	6.6220	6.1183	4.3028	2.4684		2.4809
H16	2.8539	4.1529	4.4576	3.9339	3.4253	2.1585	1.0846	2.1705	3.4583	2.8227	4.9859	5.5093	5.0185	4.3057	2.4809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	109.404	N1	C2	H11	120.313
N1	C8	C7	130.325	N1	C8	C9	107.146
C2	N1	C8	109.537	C2	N1	H10	125.165
C2	C3	C9	106.969	C2	C3	H12	125.816
C3	C2	H11	130.283	C3	C9	C4	134.372
C3	C9	C8	106.944	C4	C5	C6	121.331
C4	C5	H14	119.602	C4	C9	C8	118.685
C5	C4	C9	118.929	C5	C4	H13	120.686
C5	C6	C7	121.234	C5	C6	H15	119.391
C6	C5	H14	119.067	C6	C7	C8	117.292
C6	C7	H16	121.234	C7	C6	H15	119.375
C7	C8	C9	122.529	C8	N1	H10	125.298
C8	C7	H16	121.475	C9	C3	H12	127.215
C9	C4	H13	120.385

All results from a given calculation for C₈H₇N (Indole)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₈H₇N (Indole)