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	hartrees
Energy at 0K	-361.467696
Energy at 298.15K	-361.476365
HF Energy	-361.467696
Nuclear repulsion energy	403.061918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3925	3527	88.49
2	A'	3449	3099	11.06
3	A'	3425	3077	2.70
4	A'	3383	3040	32.93
5	A'	3370	3028	48.52
6	A'	3358	3017	5.42
7	A'	3350	3010	1.14
8	A'	1818	1633	5.77
9	A'	1781	1600	1.51
10	A'	1708	1535	18.58
11	A'	1664	1495	5.76
12	A'	1624	1460	36.45
13	A'	1578	1418	38.58
14	A'	1510	1357	3.17
15	A'	1401	1259	5.44
16	A'	1386	1245	31.08
17	A'	1373	1233	12.45
18	A'	1316	1183	5.37
19	A'	1248	1122	2.25
20	A'	1227	1102	7.07
21	A'	1195	1074	21.38
22	A'	1180	1060	25.62
23	A'	1111	998	3.05
24	A'	978	879	7.12
25	A'	947	851	0.53
26	A'	825	741	5.58
27	A'	662	595	1.48
28	A'	588	528	0.16
29	A'	431	387	4.70
30	A"	1100	988	0.00
31	A"	1060	953	2.60
32	A"	1003	901	0.77
33	A"	961	863	0.23
34	A"	865	777	37.46
35	A"	840	755	78.85
36	A"	814	731	24.56
37	A"	667	599	2.61
38	A"	632	568	0.58
39	A"	473	425	3.47
40	A"	362	325	109.04
41	A"	265	238	1.10
42	A"	230	206	24.57

Atom	x (Å)	y (Å)
N1	-1.082	1.549
C2	-2.232	0.799
C3	-1.927	-0.514
C4	0.421	-1.669
C5	1.768	-1.397
C6	2.236	-0.073
C7	1.365	0.991
C8	0.000	0.707
C9	-0.488	-0.606
H10	-1.044	2.540
H11	-3.189	1.279
H12	-2.626	-1.325
H13	0.069	-2.686
H14	2.479	-2.204
H15	3.295	0.111
H16	1.726	2.005

	N1	C2	C3	C4	C5	C6	C7	C8	C9	H10	H11	H12	H13	H14	H15	H16
N1		1.3726	2.2288	3.5518	4.0990	3.6926	2.5097	1.3708	2.2352	0.9922	2.1245	3.2622	4.3886	5.1735	4.6074	2.8445
C2	1.3726		1.3480	3.6239	4.5635	4.5518	3.6021	2.2337	2.2398	2.1078	1.0708	2.1605	4.1765	5.5868	5.5700	4.1372
C3	2.2288	1.3480		2.6170	3.7994	4.1859	3.6197	2.2810	1.4420	3.1791	2.1925	1.0709	2.9502	4.7189	5.2596	4.4369
C4	3.5518	3.6239	2.6170		1.3746	2.4171	2.8233	2.4134	1.3988	4.4571	4.6612	3.0665	1.0760	2.1261	3.3813	3.8993
C5	4.0990	4.5635	3.7994	1.3746		1.4044	2.4222	2.7485	2.3908	4.8383	5.6337	4.3950	2.1330	1.0754	2.1463	3.4025
C6	3.6926	4.5518	4.1859	2.4171	1.4044		1.3748	2.3678	2.7752	4.1929	5.5907	5.0203	3.3948	2.1456	1.0756	2.1395
C7	2.5097	3.6021	3.6197	2.8233	2.4222	1.3748		1.3944	2.4465	2.8636	4.5633	4.6145	3.8993	3.3843	2.1216	1.0760
C8	1.3708	2.2337	2.2810	2.4134	2.7485	2.3678	1.3944		1.4008	2.1094	3.2400	3.3203	3.3939	3.8237	3.3489	2.1595
C9	2.2352	2.2398	1.4420	1.3988	2.3908	2.7752	2.4465	1.4008		3.1950	3.2941	2.2558	2.1533	3.3697	3.8507	3.4232
H10	0.9922	2.1078	3.1791	4.4571	4.8383	4.1929	2.8636	2.1094	3.1950		2.4888	4.1765	5.3435	5.9092	4.9726	2.8205
H11	2.1245	1.0708	2.1925	4.6612	5.6337	5.5907	4.5633	3.2400	3.2941	2.4888		2.6640	5.1321	6.6527	6.5889	4.9683
H12	3.2622	2.1605	1.0709	3.0665	4.3950	5.0203	4.6145	3.3203	2.2558	4.1765	2.6640		3.0194	5.1799	6.0931	5.4797
H13	4.3886	4.1765	2.9502	1.0760	2.1330	3.3948	3.8993	3.3939	2.1533	5.3435	5.1321	3.0194		2.4573	4.2703	4.9753
H14	5.1735	5.5868	4.7189	2.1261	1.0754	2.1456	3.3843	3.8237	3.3697	5.9092	6.6527	5.1799	2.4573		2.4555	4.2765
H15	4.6074	5.5700	5.2596	3.3813	2.1463	1.0756	2.1216	3.3489	3.8507	4.9726	6.5889	6.0931	4.2703	2.4555		2.4599
H16	2.8445	4.1372	4.4369	3.8993	3.4025	2.1395	1.0760	2.1595	3.4232	2.8205	4.9683	5.4797	4.9753	4.2765	2.4599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	110.017	N1	C2	H11	120.296
N1	C8	C7	130.348	N1	C8	C9	107.506
C2	N1	C8	109.024	C2	N1	H10	125.308
C2	C3	C9	106.749	C2	C3	H12	126.168
C3	C2	H11	129.687	C3	C9	C4	134.196
C3	C9	C8	106.704	C4	C5	C6	120.865
C4	C5	H14	119.908	C4	C9	C8	119.100
C5	C4	C9	119.092	C5	C4	H13	120.524
C5	C6	C7	121.276	C5	C6	H15	119.281
C6	C5	H14	119.226	C6	C7	C8	117.520
C6	C7	H16	121.130	C7	C6	H15	119.443
C7	C8	C9	122.146	C8	N1	H10	125.669
C8	C7	H16	121.350	C9	C3	H12	127.083
C9	C4	H13	120.384

All results from a given calculation for C₈H₇N (Indole)

using model chemistry: HF/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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Number	Element	Mulliken
1	N	-0.829
2	C	0.067
3	C	-0.272
4	C	-0.200
5	C	-0.223
6	C	-0.211
7	C	-0.218
8	C	0.325
9	C	-0.035
10	H	0.391
11	H	0.216
12	H	0.204
13	H	0.202
14	H	0.192
15	H	0.194
16	H	0.198

	x	y	z	Total
	-0.853	1.865	0.000	2.051
CHELPG
AIM
ESP

	x	y	z
x	16.138	-1.347	0.000
y	-1.347	13.760	0.000
z	0.000	0.000	4.344

<r²>	278.972
(<r²>)^1/2	16.702

All results from a given calculation for C8H7N (Indole)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for C₈H₇N (Indole)