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	hartrees
Energy at 0K	-58.203098
Energy at 298.15K	-58.210722
HF Energy	-57.485324
Nuclear repulsion energy	193.850481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3673	3549	63.41
2	A'	3254	3144	13.72
3	A'	3224	3115	3.31
4	A'	3187	3080	43.63
5	A'	3170	3063	56.34
6	A'	3151	3045	9.31
7	A'	3135	3029	0.33
8	A'	1637	1581	4.73
9	A'	1589	1536	0.07
10	A'	1517	1466	3.14
11	A'	1494	1444	4.83
12	A'	1475	1426	25.24
13	A'	1441	1392	7.39
14	A'	1399	1352	65.49
15	A'	1367	1321	7.35
16	A'	1288	1245	7.68
17	A'	1263	1221	11.14
18	A'	1218	1177	3.94
19	A'	1178	1138	1.36
20	A'	1141	1102	2.80
21	A'	1102	1065	20.02
22	A'	1069	1033	10.37
23	A'	1004	970	6.44
24	A'	891	861	5.16
25	A'	874	845	2.73
26	A'	745	719	2.27
27	A'	602	582	1.04
28	A'	535	517	0.05
29	A'	388	375	4.35
30	A"	864	835	0.67
31	A"	848	819	0.60
32	A"	797	770	1.21
33	A"	777	751	22.58
34	A"	726	701	165.06
35	A"	691	668	75.42
36	A"	585	566	9.00
37	A"	536	518	0.95
38	A"	444	429	11.32
39	A"	408	394	50.41
40	A"	349	337	47.27
41	A"	217	209	0.08
42	A"	206	199	8.56

Atom	x (Å)	y (Å)
N1	-1.126	1.605
C2	-2.320	0.832
C3	-1.980	-0.549
C4	0.431	-1.738
C5	1.833	-1.447
C6	2.319	-0.071
C7	1.413	1.040
C8	0.000	0.741
C9	-0.507	-0.632
H10	-1.090	2.624
H11	-3.300	1.317
H12	-2.687	-1.383
H13	0.071	-2.778
H14	2.563	-2.273
H15	3.404	0.118
H16	1.787	2.076

	N1	C2	C3	C4	C5	C6	C7	C8	C9	H10	H11	H12	H13	H14	H15	H16
N1		1.4220	2.3173	3.6888	4.2519	3.8319	2.6015	1.4198	2.3212	1.0189	2.1923	3.3715	4.5438	5.3524	4.7689	2.9514
C2	1.4220		1.4219	3.7646	4.7372	4.7259	3.7384	2.3214	2.3295	2.1730	1.0938	2.2452	4.3293	5.7856	5.7684	4.2910
C3	2.3173	1.4219		2.6886	3.9178	4.3258	3.7468	2.3633	1.4752	3.2951	2.2858	1.0934	3.0288	4.8586	5.4257	4.5915
C4	3.6888	3.7646	2.6886		1.4324	2.5190	2.9473	2.5169	1.4510	4.6198	4.8225	3.1382	1.0999	2.1974	3.5053	4.0482
C5	4.2519	4.7372	3.9178	1.4324		1.4592	2.5228	2.8548	2.4786	5.0118	5.8302	4.5209	2.2085	1.1014	2.2174	3.5231
C6	3.8319	4.7259	4.3258	2.5190	1.4592		1.4342	2.4574	2.8815	4.3458	5.7880	5.1753	3.5187	2.2149	1.1015	2.2119
C7	2.6015	3.7384	3.7468	2.9473	2.5228	1.4342		1.4443	2.5462	2.9619	4.7208	4.7627	4.0472	3.5068	2.1949	1.1009
C8	1.4198	2.3214	2.3633	2.5169	2.8548	2.4574	1.4443		1.4636	2.1754	3.3497	3.4254	3.5197	3.9560	3.4611	2.2305
C9	2.3212	2.3295	1.4752	1.4510	2.4786	2.8815	2.5462	1.4636		3.3072	3.4054	2.3057	2.2225	3.4808	3.9828	3.5489
H10	1.0189	2.1730	3.2951	4.6198	5.0118	4.3458	2.9619	2.1754	3.3072		2.5668	4.3133	5.5248	6.1087	5.1461	2.9291
H11	2.1923	1.0938	2.2858	4.8225	5.8302	5.7880	4.7208	3.3497	3.4054	2.5668		2.7691	5.3038	6.8742	6.8107	5.1431
H12	3.3715	2.2452	1.0934	3.1382	4.5209	5.1753	4.7627	3.4254	2.3057	4.3133	2.7691		3.0904	5.3244	6.2737	5.6553
H13	4.5438	4.3293	3.0288	1.0999	2.2085	3.5187	4.0472	3.5197	2.2225	5.5248	5.3038	3.0904		2.5424	4.4155	5.1481
H14	5.3524	5.7856	4.8586	2.1974	1.1014	2.2149	3.5068	3.9560	3.4808	6.1087	6.8742	5.3244	2.5424		2.5343	4.4170
H15	4.7689	5.7684	5.4257	3.5053	2.2174	1.1015	2.1949	3.4611	3.9828	5.1461	6.8107	6.2737	4.4155	2.5343		2.5396
H16	2.9514	4.2910	4.5915	4.0482	3.5231	2.2119	1.1009	2.2305	3.5489	2.9291	5.1431	5.6553	5.1481	4.4170	2.5396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	109.145	N1	C2	H11	120.687
N1	C8	C7	130.549	N1	C8	C9	107.217
C2	N1	C8	109.547	C2	N1	H10	124.998
C2	C3	C9	107.029	C2	C3	H12	125.906
C3	C2	H11	130.168	C3	C9	C4	133.503
C3	C9	C8	107.062	C4	C5	C6	121.187
C4	C5	H14	119.710	C4	C9	C8	119.434
C5	C4	C9	118.548	C5	C4	H13	120.855
C5	C6	C7	121.361	C5	C6	H15	119.319
C6	C5	H14	119.102	C6	C7	C8	117.235
C6	C7	H16	120.937	C7	C6	H15	119.320
C7	C8	C9	122.234	C8	N1	H10	125.456
C8	C7	H16	121.828	C9	C3	H12	127.065
C9	C4	H13	120.596

All results from a given calculation for C₈H₇N (Indole)

using model chemistry: MP2/CEP-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: MP2/CEP-31G

States and conformations

All results from a given calculation for C₈H₇N (Indole)