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	hartrees
Energy at 0K	-362.767874
Energy at 298.15K	-362.775606
HF Energy	-361.491711
Nuclear repulsion energy	400.160739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3730	3504	84.57
2	A	3336	3133	2.51
3	A	3317	3115	0.93
4	A	3272	3073	18.52
5	A	3260	3062	25.49
6	A	3248	3050	1.14
7	A	3243	3046	3.76
8	A	1696	1593	4.91
9	A	1642	1542	0.59
10	A	1578	1482	6.86
11	A	1546	1452	8.04
12	A	1537	1444	7.15
13	A	1495	1404	8.23
14	A	1455	1367	66.18
15	A	1405	1319	6.35
16	A	1328	1247	10.09
17	A	1285	1207	11.63
18	A	1248	1172	3.25
19	A	1195	1122	1.47
20	A	1164	1094	1.83
21	A	1133	1064	19.58
22	A	1103	1036	5.63
23	A	1045	981	6.26
24	A	913	858	5.53
25	A	897	842	1.55
26	A	893	839	0.06
27	A	873	820	0.40
28	A	808	759	1.53
29	A	782	735	0.41
30	A	778	731	2.04
31	A	722	678	133.47
32	A	701	659	48.34
33	A	618	580	1.26
34	A	583	547	3.35
35	A	566	531	1.58
36	A	553	519	0.07
37	A	500	469	0.42
38	A	401	377	4.97
39	A	385	361	14.81
40	A	292	274	51.85
41	A	219	206	1.58
42	A	194	183	18.49

Atom	x (Å)	y (Å)	z (Å)
N1	-1.564	-1.078	-0.010
C2	-2.389	0.027	0.000
C3	-1.619	1.169	0.005
C4	0.982	1.431	-0.013
C5	2.156	0.692	0.001
C6	2.133	-0.721	-0.003
C7	0.933	-1.422	0.015
C8	-0.249	-0.670	-0.013
C9	-0.251	0.752	0.020
H10	-1.877	-2.035	-0.008
H11	-3.460	-0.089	-0.005
H12	-1.995	2.179	0.014
H13	1.013	2.514	-0.009
H14	3.110	1.203	-0.017
H15	3.067	-1.268	0.009
H16	0.916	-2.505	0.008

	N1	C2	C3	C4	C5	C6	C7	C8	C9	H10	H11	H12	H13	H14	H15	H16
N1		1.3794	2.2480	3.5749	4.1200	3.7143	2.5207	1.3774	2.2526	1.0066	2.1388	3.2856	4.4210	5.2012	4.6349	2.8614
C2	1.3794		1.3771	3.6519	4.5940	4.5837	3.6243	2.2512	2.2575	2.1247	1.0774	2.1877	4.2141	5.6238	5.6077	4.1638
C3	2.2480	1.3771		2.6145	3.8060	4.2017	3.6367	2.2936	1.4302	3.2143	2.2298	1.0775	2.9560	4.7300	5.2822	4.4638
C4	3.5749	3.6519	2.6145		1.3883	2.4412	2.8535	2.4351	1.4084	4.4933	4.6952	3.0692	1.0832	2.1408	3.4111	3.9366
C5	4.1200	4.5940	3.8060	1.3883		1.4130	2.4417	2.7637	2.4087	4.8687	5.6708	4.4098	2.1518	1.0823	2.1609	3.4283
C6	3.7143	4.5837	4.2017	2.4412	1.4130		1.3895	2.3822	2.8030	4.2199	5.6290	5.0449	3.4239	2.1579	1.0823	2.1588
C7	2.5207	3.6243	3.6367	2.8535	2.4417	1.3895		1.4007	2.4753	2.8764	4.5910	4.6406	3.9366	3.4099	2.1394	1.0832
C8	1.3774	2.2512	2.2936	2.4351	2.7637	2.3822	1.4007		1.4223	2.1250	3.2638	3.3415	3.4248	3.8456	3.3691	2.1735
C9	2.2526	2.2575	1.4302	1.4084	2.4087	2.8030	2.4753	1.4223		3.2267	3.3175	2.2529	2.1688	3.3920	3.8849	3.4598
H10	1.0066	2.1247	3.2143	4.4933	4.8687	4.2199	2.8764	2.1250	3.2267		2.5085	4.2156	5.3894	5.9462	5.0032	2.8329
H11	2.1388	1.0774	2.2298	4.6952	5.6708	5.6290	4.5910	3.2638	3.3175	2.5085		2.7004	5.1754	6.6965	6.6329	4.9991
H12	3.2856	2.1877	1.0775	3.0692	4.4098	5.0449	4.6406	3.3415	2.2529	4.2156	2.7004		3.0262	5.1978	6.1240	5.5146
H13	4.4210	4.2141	2.9560	1.0832	2.1518	3.4239	3.9366	3.4248	2.1688	5.3894	5.1754	3.0262		2.4740	4.3042	5.0197
H14	5.2012	5.6238	4.7300	2.1408	1.0823	2.1579	3.4099	3.8456	3.3920	5.9462	6.6965	5.1978	2.4740		2.4713	4.3078
H15	4.6349	5.6077	5.2822	3.4111	2.1609	1.0823	2.1394	3.3691	3.8849	5.0032	6.6329	6.1240	4.3042	2.4713		2.4805
H16	2.8614	4.1638	4.4638	3.9366	3.4283	2.1588	1.0832	2.1735	3.4598	2.8329	4.9991	5.5146	5.0197	4.3078	2.4805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	109.275	N1	C2	H11	120.546
N1	C8	C7	130.280	N1	C8	C9	107.129
C2	N1	C8	109.495	C2	N1	H10	125.135
C2	C3	C9	107.038	C2	C3	H12	125.625
C3	C2	H11	130.177	C3	C9	C4	134.164
C3	C9	C8	107.038	C4	C5	C6	121.251
C4	C5	H14	119.597	C4	C9	C8	118.685
C5	C4	C9	118.918	C5	C4	H13	120.570
C5	C6	C7	121.209	C5	C6	H15	119.402
C6	C5	H14	119.121	C6	C7	C8	117.251
C6	C7	H16	121.131	C7	C6	H15	119.364
C7	C8	C9	122.523	C8	N1	H10	125.369
C8	C7	H16	121.569	C9	C3	H12	127.328
C9	C4	H13	120.466

All results from a given calculation for C₈H₇N (Indole)

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

All results from a given calculation for C₈H₇N (Indole)