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	hartrees
Energy at 0K	-247.740446
Energy at 298.15K	-247.748896
Nuclear repulsion energy	224.664267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3466	3129	1.89
2	A	3454	3119	11.58
3	A	3438	3104	7.70
4	A	3425	3092	4.38
5	A	3301	2981	19.04
6	A	3274	2956	34.25
7	A	3203	2892	63.58
8	A	1714	1548	3.49
9	A	1684	1521	49.80
10	A	1673	1511	6.19
11	A	1653	1493	13.93
12	A	1609	1453	27.30
13	A	1558	1407	5.22
14	A	1511	1364	0.03
15	A	1444	1304	0.08
16	A	1430	1291	83.51
17	A	1271	1147	4.89
18	A	1224	1105	9.02
19	A	1218	1100	39.45
20	A	1162	1049	3.96
21	A	1150	1038	0.81
22	A	1071	967	16.73
23	A	1063	959	0.01
24	A	1016	917	0.23
25	A	986	890	0.19
26	A	858	774	116.77
27	A	855	772	0.06
28	A	727	656	5.42
29	A	694	627	0.00
30	A	693	626	37.26
31	A	394	356	0.90
32	A	228	206	7.89
33	A	62	56	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	2.070	-0.000	0.017
H2	2.448	-0.875	-0.492
H3	2.448	0.876	-0.491
H4	2.440	-0.000	1.035
C5	-1.482	0.713	0.009
H6	-2.338	1.352	0.015
C7	-1.482	-0.713	0.009
H8	-2.338	-1.352	0.015
C9	-0.178	-1.115	-0.009
H10	0.244	-2.095	-0.015
C11	-0.178	1.115	-0.009
H12	0.244	2.095	-0.015
N13	0.622	-0.000	-0.022

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	C11	H12	N13
C1		1.0806	1.0806	1.0833	3.6224	4.6101	3.6224	4.6101	2.5098	2.7797	2.5098	2.7797	1.4486
H2	1.0806		1.7510	1.7594	4.2681	5.3026	3.9647	4.8358	2.6811	2.5640	3.3306	3.7298	2.0787
H3	1.0806	1.7510		1.7594	3.9647	4.8357	4.2681	5.3027	3.3307	3.7299	2.6810	2.5639	2.0787
H4	1.0833	1.7594	1.7594		4.1161	5.0692	4.1160	5.0691	3.0315	3.2122	3.0316	3.2124	2.1034
C5	3.6224	4.2681	3.9647	4.1161		1.0679	1.4265	2.2353	2.2454	3.2962	1.3639	2.2107	2.2213
H6	4.6101	5.3026	4.8357	5.0692	1.0679		2.2353	2.7033	3.2784	4.3064	2.1723	2.6864	3.2537
C7	3.6224	3.9647	4.2681	4.1160	1.4265	2.2353		1.0679	1.3639	2.2107	2.2454	3.2962	2.2213
H8	4.6101	4.8358	5.3027	5.0691	2.2353	2.7033	1.0679		2.1723	2.6864	3.2784	4.3064	3.2537
C9	2.5098	2.6811	3.3307	3.0315	2.2454	3.2784	1.3639	2.1723		1.0671	2.2304	3.2381	1.3727
H10	2.7797	2.5640	3.7299	3.2122	3.2962	4.3064	2.2107	2.6864	1.0671		3.2381	4.1907	2.1292
C11	2.5098	3.3306	2.6810	3.0316	1.3639	2.1723	2.2454	3.2784	2.2304	3.2381		1.0671	1.3727
H12	2.7797	3.7298	2.5639	3.2124	2.2107	2.6864	3.2962	4.3064	3.2381	4.1907	1.0671		2.1292
N13	1.4486	2.0787	2.0787	2.1034	2.2213	3.2537	2.2213	3.2537	1.3727	2.1292	1.3727	2.1292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N13	C9	125.626	C1	N13	C11	125.626
H2	C1	H3	108.233	H2	C1	H4	108.800
H2	C1	N13	109.697	H3	C1	H4	108.800
H3	C1	N13	109.697	H4	C1	N13	111.545
C5	C7	H8	126.714	C5	C7	C9	107.138
C5	C11	H12	130.433	C5	C11	N13	108.528
H6	C5	C7	126.714	H6	C5	C11	126.146
C7	C5	C11	107.138	C7	C9	H10	130.432
C7	C9	N13	108.528	H8	C7	C9	126.146
C9	N13	C11	108.668	H10	C9	N13	121.039
H12	C11	N13	121.039

All results from a given calculation for C₅H₇N (1H-Pyrrole, 1-methyl-)

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	CHELPG
1	C	-0.191	-0.085
2	H	0.177	0.070
3	H	0.177	0.070
4	H	0.179	0.067
5	C	-0.283	-0.179
6	H	0.197	0.131
7	C	-0.283	-0.179
8	H	0.197	0.131
9	C	0.126	-0.212
10	H	0.211	0.166
11	C	0.126	-0.212
12	H	0.211	0.166
13	N	-0.843	0.065

	x	y	z	Total
	2.180	0.000	0.004	2.180
CHELPG	2.134	0.000	-0.014	2.134
AIM
ESP

	x	y	z
x	9.752	0.000	0.024
y	0.000	8.302	0.000
z	0.024	0.000	3.766

<r²>	142.546
(<r²>)^1/2	11.939

All results from a given calculation for C5H7N (1H-Pyrrole, 1-methyl-)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for C₅H₇N (1H-Pyrrole, 1-methyl-)