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	hartrees
Energy at 0K	-362.395181
Energy at 298.15K	-362.403593
HF Energy	-361.467532
Nuclear repulsion energy	402.964397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3842	3549	89.59
2	A'	3408	3148	5.87
3	A'	3386	3128	1.06
4	A'	3343	3088	22.97
5	A'	3331	3077	33.29
6	A'	3319	3066	2.82
7	A'	3312	3059	1.15
8	A'	1792	1655	4.48
9	A'	1750	1617	1.05
10	A'	1676	1548	12.34
11	A'	1633	1508	8.62
12	A'	1592	1470	36.60
13	A'	1549	1431	32.35
14	A'	1474	1361	5.62
15	A'	1415	1307	33.51
16	A'	1385	1279	5.63
17	A'	1346	1243	13.06
18	A'	1299	1200	4.60
19	A'	1240	1145	3.09
20	A'	1215	1122	2.58
21	A'	1177	1088	28.05
22	A'	1163	1074	6.93
23	A'	1098	1015	3.40
24	A'	960	887	5.77
25	A'	930	859	0.69
26	A'	815	752	4.54
27	A'	648	599	1.23
28	A'	578	534	0.11
29	A'	421	389	4.45
30	A"	993	918	0.02
31	A"	978	903	0.98
32	A"	917	847	0.27
33	A"	893	825	0.62
34	A"	802	741	135.98
35	A"	790	730	0.80
36	A"	715	661	5.23
37	A"	640	591	3.17
38	A"	590	545	1.04
39	A"	445	411	3.47
40	A"	374	345	105.78
41	A"	254	235	0.40
42	A"	224	207	16.66

Atom	x (Å)	y (Å)
N1	-1.083	1.547
C2	-2.233	0.798
C3	-1.921	-0.519
C4	0.421	-1.669
C5	1.768	-1.394
C6	2.235	-0.070
C7	1.364	0.995
C8	0.000	0.707
C9	-0.489	-0.608
H10	-1.044	2.545
H11	-3.194	1.278
H12	-2.620	-1.335
H13	0.070	-2.690
H14	2.481	-2.203
H15	3.298	0.115
H16	1.725	2.012

	N1	C2	C3	C4	C5	C6	C7	C8	C9	H10	H11	H12	H13	H14	H15	H16
N1		1.3726	2.2300	3.5508	4.0959	3.6905	2.5083	1.3704	2.2352	0.9989	2.1285	3.2663	4.3912	5.1737	4.6087	2.8457
C2	1.3726		1.3536	3.6239	4.5620	4.5512	3.6022	2.2348	2.2399	2.1134	1.0742	2.1677	4.1796	5.5885	5.5727	4.1396
C3	2.2300	1.3536		2.6097	3.7916	4.1803	3.6172	2.2794	1.4348	3.1876	2.2020	1.0740	2.9457	4.7137	5.2575	4.4384
C4	3.5508	3.6239	2.6097		1.3748	2.4183	2.8259	2.4137	1.3985	4.4621	4.6643	3.0595	1.0795	2.1282	3.3852	3.9053
C5	4.0959	4.5620	3.7916	1.3748		1.4040	2.4223	2.7460	2.3902	4.8398	5.6356	4.3884	2.1365	1.0788	2.1488	3.4060
C6	3.6905	4.5512	4.1803	2.4183	1.4040		1.3751	2.3659	2.7767	4.1938	5.5935	5.0169	3.3992	2.1477	1.0790	2.1431
C7	2.5083	3.6022	3.6172	2.8259	2.4223	1.3751		1.3938	2.4499	2.8640	4.5668	4.6149	3.9054	3.3873	2.1245	1.0794
C8	1.3704	2.2348	2.2794	2.4137	2.7460	2.3659	1.3938		1.4032	2.1139	3.2447	3.3218	3.3981	3.8246	3.3505	2.1626
C9	2.2352	2.2399	1.4348	1.3985	2.3902	2.7767	2.4499	1.4032		3.2016	3.2972	2.2513	2.1560	3.3719	3.8555	3.4300
H10	0.9989	2.1134	3.1876	4.4621	4.8398	4.1938	2.8640	2.1139	3.2016		2.4960	4.1880	5.3525	5.9140	4.9756	2.8196
H11	2.1285	1.0742	2.2020	4.6643	5.6356	5.5935	4.5668	3.2447	3.2972	2.4960		2.6749	5.1377	6.6579	6.5952	4.9733
H12	3.2663	2.1677	1.0740	3.0595	4.3884	5.0169	4.6149	3.3218	2.2513	4.1880	2.6749		3.0118	5.1747	6.0928	5.4843
H13	4.3912	4.1796	2.9457	1.0795	2.1365	3.3992	3.9054	3.3981	2.1560	5.3525	5.1377	3.0118		2.4604	4.2767	4.9848
H14	5.1737	5.5885	4.7137	2.1282	1.0788	2.1477	3.3873	3.8246	3.3719	5.9140	6.6579	5.1747	2.4604		2.4579	4.2824
H15	4.6087	5.5727	5.2575	3.3852	2.1488	1.0790	2.1245	3.3505	3.8555	4.9756	6.5952	6.0928	4.2767	2.4579		2.4642
H16	2.8457	4.1396	4.4384	3.9053	3.4060	2.1431	1.0794	2.1626	3.4300	2.8196	4.9733	5.4843	4.9848	4.2824	2.4642

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	109.765	N1	C2	H11	120.406
N1	C8	C7	130.303	N1	C8	C9	107.393
C2	N1	C8	109.124	C2	N1	H10	125.302
C2	C3	C9	106.855	C2	C3	H12	126.109
C3	C2	H11	129.830	C3	C9	C4	134.162
C3	C9	C8	106.863	C4	C5	C6	120.980
C4	C5	H14	119.830	C4	C9	C8	118.975
C5	C4	C9	119.054	C5	C4	H13	120.567
C5	C6	C7	121.290	C5	C6	H15	119.277
C6	C5	H14	119.191	C6	C7	C8	117.398
C6	C7	H16	121.176	C7	C6	H15	119.433
C7	C8	C9	122.305	C8	N1	H10	125.574
C8	C7	H16	121.426	C9	C3	H12	127.036
C9	C4	H13	120.380

All results from a given calculation for C₈H₇N (Indole)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for C₈H₇N (Indole)