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	hartrees
Energy at 0K	-361.494237
Energy at 298.15K	-361.502950
HF Energy	-361.494237
Nuclear repulsion energy	402.751059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3935	3558	100.19
2	A'	3433	3104	5.64
3	A'	3410	3084	1.64
4	A'	3370	3047	22.73
5	A'	3358	3036	36.82
6	A'	3346	3026	4.13
7	A'	3338	3018	1.08
8	A'	1805	1632	5.26
9	A'	1769	1599	0.84
10	A'	1692	1530	21.36
11	A'	1653	1494	5.66
12	A'	1613	1458	34.07
13	A'	1568	1418	38.84
14	A'	1501	1357	3.85
15	A'	1392	1259	0.78
16	A'	1385	1252	44.69
17	A'	1365	1234	10.60
18	A'	1311	1185	5.70
19	A'	1240	1122	2.48
20	A'	1221	1104	5.59
21	A'	1188	1075	28.17
22	A'	1173	1060	24.82
23	A'	1102	997	5.83
24	A'	975	882	8.03
25	A'	945	855	0.61
26	A'	822	743	5.26
27	A'	660	597	1.77
28	A'	586	530	0.19
29	A'	431	389	5.42
30	A"	1104	998	0.01
31	A"	1066	964	2.76
32	A"	1006	910	0.20
33	A"	957	865	0.52
34	A"	858	776	63.46
35	A"	835	755	101.78
36	A"	808	731	24.34
37	A"	662	599	6.17
38	A"	629	569	0.85
39	A"	471	426	7.51
40	A"	386	349	90.26
41	A"	265	239	0.03
42	A"	230	208	20.07

Atom	x (Å)	y (Å)
N1	-1.081	1.551
C2	-2.232	0.804
C3	-1.928	-0.513
C4	0.419	-1.672
C5	1.769	-1.400
C6	2.237	-0.075
C7	1.366	0.992
C8	0.000	0.708
C9	-0.489	-0.606
H10	-1.042	2.542
H11	-3.190	1.282
H12	-2.629	-1.322
H13	0.067	-2.689
H14	2.478	-2.209
H15	3.297	0.109
H16	1.729	2.005

	N1	C2	C3	C4	C5	C6	C7	C8	C9	H10	H11	H12	H13	H14	H15	H16
N1		1.3728	2.2312	3.5553	4.1027	3.6953	2.5106	1.3713	2.2371	0.9914	2.1263	3.2641	4.3926	5.1772	4.6099	2.8462
C2	1.3728		1.3509	3.6272	4.5675	4.5550	3.6035	2.2341	2.2419	2.1071	1.0709	2.1624	4.1808	5.5908	5.5730	4.1392
C3	2.2312	1.3509		2.6178	3.8016	4.1884	3.6217	2.2817	1.4424	3.1808	2.1941	1.0708	2.9518	4.7211	5.2622	4.4397
C4	3.5553	3.6272	2.6178		1.3764	2.4202	2.8270	2.4161	1.4002	4.4600	4.6639	3.0683	1.0761	2.1276	3.3844	3.9031
C5	4.1027	4.5675	3.8016	1.3764		1.4062	2.4255	2.7515	2.3929	4.8414	5.6376	4.3984	2.1345	1.0754	2.1481	3.4054
C6	3.6953	4.5550	4.1884	2.4202	1.4062		1.3767	2.3702	2.7774	4.1951	5.5945	5.0239	3.3978	2.1475	1.0757	2.1407
C7	2.5106	3.6035	3.6217	2.8270	2.4255	1.3767		1.3957	2.4482	2.8640	4.5658	4.6172	3.9030	3.3877	2.1233	1.0761
C8	1.3713	2.2341	2.2817	2.4161	2.7515	2.3702	1.3957		1.4014	2.1096	3.2414	3.3214	3.3968	3.8267	3.3513	2.1615
C9	2.2371	2.2419	1.4424	1.4002	2.3929	2.7774	2.4482	1.4014		3.1962	3.2957	2.2571	2.1555	3.3719	3.8529	3.4254
H10	0.9914	2.1071	3.1808	4.4600	4.8414	4.1951	2.8640	2.1096	3.1962		2.4908	4.1776	5.3468	5.9124	4.9748	2.8221
H11	2.1263	1.0709	2.1941	4.6639	5.6376	5.5945	4.5658	3.2414	3.2957	2.4908		2.6639	5.1354	6.6566	6.5928	4.9718
H12	3.2641	2.1624	1.0708	3.0683	4.3984	5.0239	4.6172	3.3214	2.2571	4.1776	2.6639		3.0224	5.1835	6.0968	5.4828
H13	4.3926	4.1808	2.9518	1.0761	2.1345	3.3978	3.9030	3.3968	2.1555	5.3468	5.1354	3.0224		2.4586	4.2734	4.9791
H14	5.1772	5.5908	4.7211	2.1276	1.0754	2.1475	3.3877	3.8267	3.3719	5.9124	6.6566	5.1835	2.4586		2.4578	4.2795
H15	4.6099	5.5730	5.2622	3.3844	2.1481	1.0757	2.1233	3.3513	3.8529	4.9748	6.5928	6.0968	4.2734	2.4578		2.4609
H16	2.8462	4.1392	4.4397	3.9031	3.4054	2.1407	1.0761	2.1615	3.4254	2.8221	4.9718	5.4828	4.9791	4.2795	2.4609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	110.004	N1	C2	H11	120.448
N1	C8	C7	130.277	N1	C8	C9	107.571
C2	N1	C8	109.009	C2	N1	H10	125.285
C2	C3	C9	106.711	C2	C3	H12	126.092
C3	C2	H11	129.548	C3	C9	C4	134.120
C3	C9	C8	106.705	C4	C5	C6	120.859
C4	C5	H14	119.893	C4	C9	C8	119.175
C5	C4	C9	119.037	C5	C4	H13	120.499
C5	C6	C7	121.277	C5	C6	H15	119.284
C6	C5	H14	119.248	C6	C7	C8	117.500
C6	C7	H16	121.073	C7	C6	H15	119.439
C7	C8	C9	122.152	C8	N1	H10	125.706
C8	C7	H16	121.427	C9	C3	H12	127.197
C9	C4	H13	120.465

All results from a given calculation for C₈H₇N (Indole)

using model chemistry: HF/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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Number	Element	Mulliken
1	N	-0.420
2	C	0.006
3	C	-0.062
4	C	-0.490
5	C	-0.065
6	C	-0.379
7	C	0.213
8	C	-1.074
9	C	0.931
10	H	0.338
11	H	0.170
12	H	0.175
13	H	0.170
14	H	0.162
15	H	0.163
16	H	0.162

	x	y	z	Total
	-0.840	1.903	0.000	2.080
CHELPG
AIM
ESP

	x	y	z
x	17.748	-1.454	0.000
y	-1.454	15.007	0.000
z	0.000	0.000	8.136

<r²>	280.194
(<r²>)^1/2	16.739

All results from a given calculation for C8H7N (Indole)

using model chemistry: HF/6-31+G**

States and conformations

All results from a given calculation for C₈H₇N (Indole)