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	hartrees
Energy at 0K	-209.550321
Energy at 298.15K
HF Energy	-208.826820
Nuclear repulsion energy	159.997765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3753	3558	78.70
2	A₁	3328	3155	0.18
3	A₁	3305	3133	3.12
4	A₁	1544	1463	11.50
5	A₁	1455	1379	4.09
6	A₁	1195	1133	4.38
7	A₁	1105	1048	11.17
8	A₁	1043	989	23.87
9	A₁	899	852	0.14
10	A₂	857	812	0.00
11	A₂	701	664	0.00
12	A₂	614	582	0.00
13	B₁	834	790	1.64
14	B₁	740	701	131.66
15	B₁	643	609	0.79
16	B₁	457	433	70.36
17	B₂	3321	3148	4.10
18	B₂	3293	3122	2.27
19	B₂	1610	1526	2.05
20	B₂	1521	1442	9.84
21	B₂	1322	1253	1.65
22	B₂	1175	1113	1.83
23	B₂	1076	1020	20.05
24	B₂	878	832	1.21

Atom	y (Å)	z (Å)
N1	0.000	1.126
H2	0.000	2.134
C3	1.128	0.336
C4	-1.128	0.336
C5	0.718	-0.990
C6	-0.718	-0.990
H7	2.123	0.775
H8	-2.123	0.775
H9	1.374	-1.859
H10	-1.374	-1.859

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0085	1.3769	1.3769	2.2341	2.2341	2.1518	2.1518	3.2856	3.2856
H2	1.0085		2.1229	2.1229	3.2056	3.2056	2.5210	2.5210	4.2228	4.2228
C3	1.3769	2.1229		2.2551	1.3875	2.2719	1.0880	3.2801	2.2082	3.3275
C4	1.3769	2.1229	2.2551		2.2719	1.3875	3.2801	1.0880	3.3275	2.2082
C5	2.2341	3.2056	1.3875	2.2719		1.4351	2.2560	3.3441	1.0889	2.2647
C6	2.2341	3.2056	2.2719	1.3875	1.4351		3.3441	2.2560	2.2647	1.0889
H7	2.1518	2.5210	1.0880	3.2801	2.2560	3.3441		4.2460	2.7380	4.3776
H8	2.1518	2.5210	3.2801	1.0880	3.3441	2.2560	4.2460		4.3776	2.7380
H9	3.2856	4.2228	2.2082	3.3275	1.0889	2.2647	2.7380	4.3776		2.7476
H10	3.2856	4.2228	3.3275	2.2082	2.2647	1.0889	4.3776	2.7380	2.7476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.834	N1	C3	H7	121.175
N1	C4	C6	107.834	N1	C4	H8	121.175
H2	N1	C3	125.021	H2	N1	C4	125.021
C3	N1	C4	109.958	C3	C5	C6	107.187
C3	C5	H9	125.749	C4	C6	C5	107.187
C4	C6	H10	125.749	C5	C3	H7	130.991
C5	C6	H10	127.064	C6	C4	H8	130.991
C6	C5	H9	127.064

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP3/cc-pVDZ

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 C4H5N (Pyrrole)

using model chemistry: MP3/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)