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	hartrees
Energy at 0K
Energy at 298.15K	0.039948
Nuclear repulsion energy	134.607401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2806	2982	57.56
2	A	2795	2969	107.65
3	A	2790	2964	124.92
4	A	2786	2960	166.96
5	A	2762	2935	39.84
6	A	2671	2837	61.89
7	A	2662	2828	73.98
8	A	1545	1641	2.31
9	A	1516	1611	20.00
10	A	1445	1535	0.03
11	A	1435	1525	8.24
12	A	1357	1442	17.28
13	A	1341	1425	34.31
14	A	1240	1318	2.75
15	A	1238	1316	32.55
16	A	1237	1314	38.90
17	A	1150	1222	4.87
18	A	1139	1210	7.85
19	A	1115	1184	26.92
20	A	1057	1123	16.54
21	A	1051	1117	4.53
22	A	1002	1064	29.83
23	A	909	966	0.00
24	A	868	922	0.17
25	A	842	894	0.02
26	A	798	848	134.90
27	A	791	840	0.09
28	A	668	710	3.86
29	A	513	544	0.00
30	A	468	497	2.97
31	A	356	378	0.68
32	A	192	204	3.34
33	A	14i	15i	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-2.049	0.001	0.002
H2	-2.437	1.007	-0.198
H3	-2.433	-0.673	-0.776
H4	-2.431	-0.335	0.972
C5	1.480	-0.691	-0.001
H6	2.297	-1.297	0.001
C7	1.484	0.688	0.001
H8	2.300	1.291	0.003
C9	0.158	1.097	-0.000
H10	-0.164	2.061	-0.002
C11	0.156	-1.097	0.001
H12	-0.175	-2.059	-0.002
N13	-0.619	0.002	-0.001

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	C11	H12	N13
C1		1.0970	1.0988	1.0955	3.5960	4.5352	3.5986	4.5361	2.4643	2.7918	2.4627	2.7852	1.4294
H2	1.0970		1.7775	1.7806	4.2737	5.2683	3.9385	4.7495	2.6043	2.5124	3.3450	3.8159	2.0864
H3	1.0988	1.7775		1.7808	3.9888	4.8331	4.2183	5.1831	3.2328	3.6362	2.7354	2.7602	2.0842
H4	1.0955	1.7806	1.7808		4.0458	4.9212	4.1608	5.0952	3.1143	3.4386	2.8658	3.0020	2.0837
C5	3.5960	4.2737	3.9888	4.0458		1.0170	1.3786	2.1447	2.2233	3.2058	1.3857	2.1477	2.2107
H6	4.5352	5.2683	4.8331	4.9212	1.0170		2.1449	2.5880	3.2099	4.1634	2.1505	2.5865	3.1922
C7	3.5986	3.9385	4.2183	4.1608	1.3786	2.1449		1.0150	1.3870	2.1453	2.2251	3.2092	2.2122
H8	4.5361	4.7495	5.1831	5.0952	2.1447	2.5880	1.0150		2.1503	2.5819	3.2099	4.1655	3.1915
C9	2.4643	2.6043	3.2328	3.1143	2.2233	3.2099	1.3870	2.1503		1.0166	2.1944	3.1741	1.3435
H10	2.7918	2.5124	3.6362	3.4386	3.2058	4.1634	2.1453	2.5819	1.0166		3.1746	4.1206	2.1091
C11	2.4627	3.3450	2.7354	2.8658	1.3857	2.1505	2.2251	3.2099	2.1944	3.1746		1.0173	1.3446
H12	2.7852	3.8159	2.7602	3.0020	2.1477	2.5865	3.2092	4.1655	3.1741	4.1206	1.0173		2.1085
N13	1.4294	2.0864	2.0842	2.0837	2.2107	3.1922	2.2122	3.1915	1.3435	2.1091	1.3446	2.1085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N13	C9	125.397	C1	N13	C11	125.165
H2	C1	H3	108.094	H2	C1	H4	108.614
H2	C1	N13	110.669	H3	C1	H4	108.490
H3	C1	N13	110.370	H4	C1	N13	110.530
C5	C7	H8	126.613	C5	C7	C9	107.011
C5	C11	H12	126.012	C5	C11	N13	108.123
H6	C5	C7	126.441	H6	C5	C11	126.345
C7	C5	C11	107.214	C7	C9	H10	125.677
C7	C9	N13	108.215	H8	C7	C9	126.376
C9	N13	C11	109.438	H10	C9	N13	126.108
H12	C11	N13	125.864

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

using model chemistry: PM6

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	-0.330
2	H	0.165
3	H	0.163
4	H	0.162
5	C	-0.211
6	H	0.154
7	C	-0.213
8	H	0.154
9	C	-0.165
10	H	0.159
11	C	-0.168
12	H	0.160
13	N	-0.030

	x	y	z	Total
	-3.006	0.016	0.002	3.006
CHELPG
AIM
ESP

	x	y	z
x	9.320	0.044	-0.012
y	0.044	7.897	0.000
z	-0.012	0.000	2.185

<r²>	0.000
(<r²>)^1/2	0.000