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	hartrees
Energy at 0K	-247.851230
Energy at 298.15K	-247.859580
Nuclear repulsion energy	225.485386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3432	3097	2.31
2	A	3423	3089	14.94
3	A	3408	3076	7.31
4	A	3397	3066	2.95
5	A	3289	2969	21.72
6	A	3261	2943	35.69
7	A	3191	2880	73.16
8	A	1720	1553	2.75
9	A	1688	1523	63.38
10	A	1645	1484	4.67
11	A	1620	1463	11.20
12	A	1591	1436	28.94
13	A	1549	1398	8.33
14	A	1519	1371	0.04
15	A	1431	1292	74.67
16	A	1420	1282	0.41
17	A	1247	1126	5.77
18	A	1204	1087	6.89
19	A	1203	1086	40.31
20	A	1155	1042	4.19
21	A	1135	1024	0.23
22	A	1060	957	13.26
23	A	1000	902	0.02
24	A	963	869	1.11
25	A	956	863	0.37
26	A	827	747	96.07
27	A	806	728	0.09
28	A	721	650	5.45
29	A	679	613	0.00
30	A	662	598	17.49
31	A	385	347	0.60
32	A	195	176	4.89
33	A	86	78	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	2.060	0.000	0.026
H2	2.447	-0.877	-0.477
H3	2.447	0.877	-0.476
H4	2.416	-0.000	1.052
C5	-1.477	0.712	0.015
H6	-2.331	1.358	0.024
C7	-1.477	-0.712	0.015
H8	-2.331	-1.358	0.024
C9	-0.177	-1.107	-0.014
H10	0.251	-2.089	-0.023
C11	-0.177	1.107	-0.014
H12	0.251	2.089	-0.023
N13	0.619	0.000	-0.039

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	C11	H12	N13
C1		1.0824	1.0824	1.0856	3.6073	4.5959	3.6073	4.5959	2.4956	2.7635	2.4956	2.7635	1.4427
H2	1.0824		1.7540	1.7623	4.2612	5.2983	3.9575	4.8280	2.6739	2.5488	3.3213	3.7178	2.0743
H3	1.0824	1.7540		1.7623	3.9574	4.8279	4.2612	5.2983	3.3214	3.7179	2.6738	2.5487	2.0743
H4	1.0856	1.7623	1.7623		4.0905	5.0430	4.0904	5.0429	3.0134	3.1945	3.0135	3.1946	2.1025
C5	3.6073	4.2612	3.9574	4.0905		1.0713	1.4234	2.2391	2.2353	3.2903	1.3588	2.2092	2.2134
H6	4.5959	5.2983	4.8279	5.0430	1.0713		2.2391	2.7158	3.2735	4.3064	2.1692	2.6835	3.2477
C7	3.6073	3.9575	4.2612	4.0904	1.4234	2.2391		1.0713	1.3588	2.2092	2.2353	3.2903	2.2134
H8	4.5959	4.8280	5.2983	5.0429	2.2391	2.7158	1.0713		2.1692	2.6835	3.2735	4.3064	3.2477
C9	2.4956	2.6739	3.3214	3.0134	2.2353	3.2735	1.3588	2.1692		1.0709	2.2132	3.2236	1.3630
H10	2.7635	2.5488	3.7179	3.1945	3.2903	4.3064	2.2092	2.6835	1.0709		3.2236	4.1771	2.1207
C11	2.4956	3.3213	2.6738	3.0135	1.3588	2.1692	2.2353	3.2735	2.2132	3.2236		1.0709	1.3630
H12	2.7635	3.7178	2.5487	3.1946	2.2092	2.6835	3.2903	4.3064	3.2236	4.1771	1.0709		2.1207
N13	1.4427	2.0743	2.0743	2.1025	2.2134	3.2477	2.2134	3.2477	1.3630	2.1207	1.3630	2.1207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N13	C9	125.594	C1	N13	C11	125.595
H2	C1	H3	108.236	H2	C1	H4	108.754
H2	C1	N13	109.640	H3	C1	H4	108.754
H3	C1	N13	109.639	H4	C1	N13	111.744
C5	C7	H8	127.099	C5	C7	C9	106.895
C5	C11	H12	130.422	C5	C11	N13	108.821
H6	C5	C7	127.099	H6	C5	C11	126.003
C7	C5	C11	106.895	C7	C9	H10	130.422
C7	C9	N13	108.821	H8	C7	C9	126.003
C9	N13	C11	108.565	H10	C9	N13	120.756
H12	C11	N13	120.756

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	-0.118	-0.082
2	H	0.133	0.062
3	H	0.133	0.062
4	H	0.134	0.062
5	C	-0.222	-0.171
6	H	0.139	0.128
7	C	-0.222	-0.172
8	H	0.139	0.128
9	C	0.093	-0.230
10	H	0.148	0.166
11	C	0.093	-0.230
12	H	0.148	0.166
13	N	-0.597	0.111

	x	y	z	Total
	2.104	0.000	0.017	2.104
CHELPG
AIM
ESP

	x	y	z
x	10.010	0.000	-0.001
y	0.000	8.466	0.000
z	-0.001	0.000	4.117

<r²>	141.461
(<r²>)^1/2	11.894

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-)