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	hartrees
Energy at 0K	-360.251786
Energy at 298.15K	-360.259871
HF Energy	-359.447874
Nuclear repulsion energy	396.451488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3600	3425	79.50
2	A'	3290	3129	3.85
3	A'	3266	3107	0.90
4	A'	3214	3058	18.48
5	A'	3199	3043	23.02
6	A'	3185	3030	0.85
7	A'	3180	3025	3.21
8	A'	1625	1546	5.80
9	A'	1577	1500	3.05
10	A'	1530	1455	0.22
11	A'	1526	1451	3.02
12	A'	1476	1404	18.93
13	A'	1440	1370	20.97
14	A'	1400	1331	5.01
15	A'	1364	1297	25.10
16	A'	1300	1237	19.17
17	A'	1287	1224	18.79
18	A'	1238	1177	2.85
19	A'	1219	1160	6.80
20	A'	1164	1107	4.74
21	A'	1128	1073	7.79
22	A'	1076	1023	11.63
23	A'	1021	972	3.43
24	A'	925	880	6.81
25	A'	906	861	0.70
26	A'	765	727	1.28
27	A'	633	602	0.73
28	A'	559	532	0.12
29	A'	404	384	4.30
30	A"	902	858	0.00
31	A"	878	835	0.08
32	A"	811	772	0.17
33	A"	797	759	0.04
34	A"	728	693	116.55
35	A"	702	668	57.04
36	A"	632	601	0.05
37	A"	585	557	0.06
38	A"	567	539	0.49
39	A"	495	471	122.14
40	A"	410	390	5.02
41	A"	244	232	0.06
42	A"	202	192	8.99

Atom	x (Å)	y (Å)
N1	-1.111	1.573
C2	-2.284	0.795
C3	-1.940	-0.547
C4	0.435	-1.693
C5	1.802	-1.405
C6	2.271	-0.060
C7	1.381	1.017
C8	0.000	0.728
C9	-0.491	-0.622
H10	-1.081	2.586
H11	-3.258	1.262
H12	-2.631	-1.378
H13	0.086	-2.723
H14	2.525	-2.217
H15	3.341	0.131
H16	1.746	2.042

	N1	C2	C3	C4	C5	C6	C7	C8	C9	H10	H11	H12	H13	H14	H15	H16
N1		1.4082	2.2769	3.6137	4.1661	3.7554	2.5526	1.3956	2.2810	1.0131	2.1696	3.3203	4.4600	5.2521	4.6795	2.8949
C2	1.4082		1.3849	3.6854	4.6406	4.6343	3.6713	2.2848	2.2847	2.1576	1.0804	2.2007	4.2414	5.6741	5.6639	4.2186
C3	2.2769	1.3849		2.6377	3.8397	4.2393	3.6710	2.3217	1.4510	3.2486	2.2380	1.0809	2.9732	4.7675	5.3246	4.5047
C4	3.6137	3.6854	2.6377		1.3968	2.4567	2.8704	2.4600	1.4163	4.5399	4.7300	3.0823	1.0881	2.1544	3.4306	3.9583
C5	4.1661	4.6406	3.8397	1.3968		1.4243	2.4589	2.7927	2.4235	4.9239	5.7200	4.4331	2.1644	1.0870	2.1743	3.4477
C6	3.7554	4.6343	4.2393	2.4567	1.4243		1.3976	2.4039	2.8187	4.2708	5.6847	5.0760	3.4450	2.1717	1.0870	2.1667
C7	2.5526	3.6713	3.6710	2.8704	2.4589	1.3976		1.4107	2.4882	2.9193	4.6449	4.6725	3.9584	3.4307	2.1514	1.0880
C8	1.3956	2.2848	2.3217	2.4600	2.7927	2.4039	1.4107		1.4366	2.1496	3.3012	3.3703	3.4524	3.8794	3.3940	2.1853
C9	2.2810	2.2847	1.4510	1.4163	2.4235	2.8187	2.4882	1.4366		3.2617	3.3472	2.2695	2.1791	3.4121	3.9054	3.4788
H10	1.0131	2.1576	3.2486	4.5399	4.9239	4.2708	2.9193	2.1496	3.2617		2.5474	4.2566	5.4360	6.0062	5.0581	2.8793
H11	2.1696	1.0804	2.2380	4.7300	5.7200	5.6847	4.6449	3.3012	3.3472	2.5474		2.7141	5.2021	6.7488	6.6950	5.0643
H12	3.3203	2.2007	1.0809	3.0823	4.4331	5.0760	4.6725	3.3703	2.2695	4.2566	2.7141		3.0310	5.2237	6.1596	5.5550
H13	4.4600	4.2414	2.9732	1.0881	2.1644	3.4450	3.9584	3.4524	2.1791	5.4360	5.2021	3.0310		2.4916	4.3295	5.0463
H14	5.2521	5.6741	4.7675	2.1544	1.0870	2.1717	3.4307	3.8794	3.4121	6.0062	6.7488	5.2237	2.4916		2.4856	4.3296
H15	4.6795	5.6639	5.3246	3.4306	2.1743	1.0870	2.1514	3.3940	3.9054	5.0581	6.6950	6.1596	4.3295	2.4856		2.4892
H16	2.8949	4.2186	4.5047	3.9583	3.4477	2.1667	1.0880	2.1853	3.4788	2.8793	5.0643	5.5550	5.0463	4.3296	2.4892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	109.211	N1	C2	H11	120.779
N1	C8	C7	130.898	N1	C8	C9	107.283
C2	N1	C8	109.151	C2	N1	H10	125.231
C2	C3	C9	107.323	C2	C3	H12	125.931
C3	C2	H11	130.010	C3	C9	C4	133.823
C3	C9	C8	107.032	C4	C5	C6	121.103
C4	C5	H14	119.793	C4	C9	C8	119.145
C5	C4	C9	118.973	C5	C4	H13	120.650
C5	C6	C7	121.223	C5	C6	H15	119.338
C6	C5	H14	119.104	C6	C7	C8	117.738
C6	C7	H16	120.808	C7	C6	H15	119.440
C7	C8	C9	121.819	C8	N1	H10	125.617
C8	C7	H16	121.454	C9	C3	H12	126.745
C9	C4	H13	120.378

All results from a given calculation for C₈H₇N (Indole)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for C₈H₇N (Indole)