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	hartrees
Energy at 0K	-248.800354
Energy at 298.15K	-248.807820
HF Energy	-247.915789
Nuclear repulsion energy	224.054742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3312	3139	0.90
2	A	3302	3130	3.46
3	A	3291	3120	1.88
4	A	3283	3112	1.05
5	A	3200	3034	9.33
6	A	3175	3010	15.31
7	A	3089	2928	49.73
8	A	1561	1479	34.20
9	A	1552	1471	1.76
10	A	1544	1463	6.98
11	A	1510	1431	13.77
12	A	1477	1400	15.05
13	A	1446	1370	0.48
14	A	1442	1367	5.19
15	A	1330	1261	38.62
16	A	1308	1240	0.13
17	A	1171	1110	8.63
18	A	1125	1066	6.91
19	A	1122	1064	19.53
20	A	1103	1046	3.56
21	A	1077	1021	12.29
22	A	991	940	5.49
23	A	886	840	0.02
24	A	701	665	2.58
25	A	694	657	0.67
26	A	672	637	6.23
27	A	658	623	135.81
28	A	559	530	0.26
29	A	543	515	2.59
30	A	359	340	0.71
31	A	267	253	0.29
32	A	164	155	4.41
33	A	119	112	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-2.027	0.001	0.003
H2	-2.395	1.005	-0.198
H3	-2.406	-0.667	-0.772
H4	-2.412	-0.329	0.967
C5	1.463	-0.689	-0.000
H6	2.296	-1.316	0.002
C7	1.467	0.686	0.001
H8	2.301	1.310	0.004
C9	0.159	1.087	-0.001
H10	-0.199	2.065	-0.003
C11	0.155	-1.087	0.000
H12	-0.209	-2.063	-0.003
N13	-0.610	0.002	-0.002

	C1	H2	H3	H4	C5	H6	C7	H8	C9	H10	C11	H12	N13
C1		1.0879	1.0907	1.0897	3.5576	4.5190	3.5606	4.5213	2.4410	2.7573	2.4384	2.7508	1.4174
H2	1.0879		1.7680	1.7714	4.2180	5.2372	3.8800	4.7097	2.5627	2.4462	3.3044	3.7724	2.0572
H3	1.0907	1.7680		1.7716	3.9452	4.8090	4.1746	5.1634	3.2014	3.5953	2.7076	2.7144	2.0654
H4	1.0897	1.7714	1.7716		4.0099	4.9057	4.1241	5.0814	3.0906	3.4015	2.8456	2.9664	2.0728
C5	3.5576	4.2180	3.9452	4.0099		1.0424	1.3749	2.1670	2.2033	3.2163	1.3673	2.1644	2.1847
H6	4.5190	5.2372	4.8090	4.9057	1.0424		2.1665	2.6254	3.2155	4.2013	2.1530	2.6140	3.1902
C7	3.5606	3.8800	4.1746	4.1241	1.3749	2.1665		1.0412	1.3681	2.1623	2.2058	3.2198	2.1865
H8	4.5213	4.7097	5.1634	5.0814	2.1670	2.6254	1.0412		2.1532	2.6109	3.2170	4.2042	3.1908
C9	2.4410	2.5627	3.2014	3.0906	2.2033	3.2155	1.3681	2.1532		1.0412	2.1743	3.1717	1.3301
H10	2.7573	2.4462	3.5953	3.4015	3.2163	4.2013	2.1623	2.6109	1.0412		3.1719	4.1281	2.1038
C11	2.4384	3.3044	2.7076	2.8456	1.3673	2.1530	2.2058	3.2170	2.1743	3.1719		1.0417	1.3306
H12	2.7508	3.7724	2.7144	2.9664	2.1644	2.6140	3.2198	4.2042	3.1717	4.1281	1.0417		2.1034
N13	1.4174	2.0572	2.0654	2.0728	2.1847	3.1902	2.1865	3.1908	1.3301	2.1038	1.3306	2.1034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N13	C9	125.326	C1	N13	C11	125.058
H2	C1	H3	108.487	H2	C1	H4	108.872
H2	C1	N13	109.695	H3	C1	H4	108.687
H3	C1	N13	110.187	H4	C1	N13	110.862
C5	C7	H8	126.964	C5	C7	C9	106.881
C5	C11	H12	127.391	C5	C11	N13	108.142
H6	C5	C7	126.802	H6	C5	C11	126.094
C7	C5	C11	107.103	C7	C9	H10	127.136
C7	C9	N13	108.260	H8	C7	C9	126.155
C9	N13	C11	109.614	H10	C9	N13	124.604
H12	C11	N13	124.466

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

using model chemistry: MP2/TZVP

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

using model chemistry: MP2/TZVP

States and conformations

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