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	hartrees
Energy at 0K	-244.808784
Energy at 298.15K	-244.816859
Nuclear repulsion energy	223.293641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3793	3097	2.48
2	A	3779	3086	12.78
3	A	3758	3068	25.71
4	A	3750	3062	0.19
5	A	3744	3057	10.45
6	A	3722	3039	0.85
7	A	3553	2901	6.50
8	A	1894	1546	3.64
9	A	1825	1490	64.10
10	A	1812	1480	3.26
11	A	1792	1463	10.99
12	A	1730	1413	26.71
13	A	1673	1366	16.96
14	A	1666	1360	0.19
15	A	1537	1255	54.25
16	A	1486	1213	0.46
17	A	1306	1067	4.16
18	A	1277	1043	2.07
19	A	1274	1040	13.20
20	A	1231	1005	0.06
21	A	1211	989	4.93
22	A	1111	907	16.03
23	A	1096	895	0.00
24	A	1065	870	0.10
25	A	1005	821	0.09
26	A	899	734	0.08
27	A	892	729	20.04
28	A	758	619	1.72
29	A	716	585	0.02
30	A	647	528	8.15
31	A	383	313	0.27
32	A	183	149	3.63
33	A	61	50	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	2.094	0.000	0.021
H2	2.476	-0.886	-0.484
H3	2.476	0.887	-0.483
H4	2.453	-0.000	1.053
C5	-1.481	0.715	0.012
H6	-2.351	1.351	0.022
C7	-1.481	-0.715	0.012
H8	-2.351	-1.351	0.022
C9	-0.194	-1.125	-0.010
H10	0.236	-2.115	-0.018
C11	-0.194	1.125	-0.010
H12	0.236	2.115	-0.018
N13	0.625	0.000	-0.035

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	C11	H12	N13
C1		1.0894	1.0894	1.0928	3.6459	4.6453	3.6459	4.6453	2.5499	2.8154	2.5499	2.8154	1.4700
H2	1.0894		1.7729	1.7740	4.2981	5.3445	3.9923	4.8758	2.7230	2.5973	3.3769	3.7742	2.1013
H3	1.0894	1.7729		1.7740	3.9923	4.8757	4.2982	5.3445	3.3770	3.7744	2.7228	2.5970	2.1013
H4	1.0928	1.7740	1.7740		4.1321	5.0955	4.1320	5.0953	3.0665	3.2458	3.0667	3.2462	2.1276
C5	3.6459	4.2981	3.9923	4.1321		1.0772	1.4302	2.2416	2.2457	3.3108	1.3509	2.2160	2.2247
H6	4.6453	5.3445	4.8757	5.0955	1.0772		2.2416	2.7020	3.2837	4.3253	2.1685	2.6977	3.2684
C7	3.6459	3.9923	4.2982	4.1320	1.4302	2.2416		1.0772	1.3509	2.2160	2.2457	3.3108	2.2247
H8	4.6453	4.8758	5.3445	5.0953	2.2416	2.7020	1.0772		2.1685	2.6977	3.2837	4.3253	3.2684
C9	2.5499	2.7230	3.3770	3.0665	2.2457	3.2837	1.3509	2.1685		1.0796	2.2503	3.2688	1.3919
H10	2.8154	2.5973	3.7744	3.2458	3.3108	4.3253	2.2160	2.6977	1.0796		3.2688	4.2304	2.1507
C11	2.5499	3.3769	2.7228	3.0667	1.3509	2.1685	2.2457	3.2837	2.2503	3.2688		1.0796	1.3919
H12	2.8154	3.7742	2.5970	3.2462	2.2160	2.6977	3.3108	4.3253	3.2688	4.2304	1.0796		2.1507
N13	1.4700	2.1013	2.1013	2.1276	2.2247	3.2684	2.2247	3.2684	1.3919	2.1507	1.3919	2.1507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N13	C9	125.968	C1	N13	C11	125.968
H2	C1	H3	108.927	H2	C1	H4	108.772
H2	C1	N13	109.472	H3	C1	H4	108.772
H3	C1	N13	109.471	H4	C1	N13	111.385
C5	C7	H8	126.180	C5	C7	C9	107.669
C5	C11	H12	131.171	C5	C11	N13	108.395
H6	C5	C7	126.180	H6	C5	C11	126.150
C7	C5	C11	107.669	C7	C9	H10	131.171
C7	C9	N13	108.395	H8	C7	C9	126.150
C9	N13	C11	107.864	H10	C9	N13	120.432
H12	C11	N13	120.432

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

using model chemistry: HF/STO-3G

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	C	-0.074
2	H	0.083
3	H	0.083
4	H	0.078
5	C	-0.103
6	H	0.057
7	C	-0.103
8	H	0.057
9	C	0.017
10	H	0.065
11	C	0.017
12	H	0.065
13	N	-0.241

	x	y	z	Total
	2.018	0.000	0.030	2.018
CHELPG
AIM
ESP

	x	y	z
x	6.500	0.000	-0.024
y	0.000	5.230	0.000
z	-0.024	0.000	1.439

<r²>	142.919
(<r²>)^1/2	11.955

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

using model chemistry: HF/STO-3G

States and conformations

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