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	hartrees
Energy at 0K	-209.501708
Energy at 298.15K	-209.507702
HF Energy	-208.806361
Nuclear repulsion energy	160.867573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3734	3505	70.94
2	A₁	3325	3121	0.15
3	A₁	3304	3101	4.40
4	A₁	1562	1466	10.31
5	A₁	1477	1386	6.94
6	A₁	1207	1133	3.15
7	A₁	1132	1062	11.97
8	A₁	1071	1006	26.67
9	A₁	915	859	0.32
10	A₂	808	759	0.00
11	A₂	674	633	0.00
12	A₂	602	565	0.00
13	B₁	801	752	10.16
14	B₁	731	687	140.65
15	B₁	640	600	1.03
16	B₁	442	415	87.39
17	B₂	3320	3116	6.28
18	B₂	3293	3090	2.48
19	B₂	1638	1538	4.15
20	B₂	1532	1438	15.66
21	B₂	1352	1269	1.47
22	B₂	1204	1130	1.89
23	B₂	1107	1039	20.49
24	B₂	893	838	1.42

Atom	y (Å)	z (Å)
N1	0.000	1.121
H2	0.000	2.128
C3	1.124	0.331
C4	-1.124	0.331
C5	0.713	-0.982
C6	-0.713	-0.982
H7	2.113	0.765
H8	-2.113	0.765
H9	1.362	-1.848
H10	-1.362	-1.848

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0071	1.3737	1.3737	2.2211	2.2211	2.1430	2.1430	3.2665	3.2665
H2	1.0071		2.1197	2.1197	3.1913	3.1913	2.5147	2.5147	4.2029	4.2029
C3	1.3737	2.1197		2.2473	1.3760	2.2578	1.0807	3.2659	2.1918	3.3051
C4	1.3737	2.1197	2.2473		2.2578	1.3760	3.2659	1.0807	3.3051	2.1918
C5	2.2211	3.1913	1.3760	2.2578		1.4258	2.2395	3.3229	1.0817	2.2478
C6	2.2211	3.1913	2.2578	1.3760	1.4258		3.3229	2.2395	2.2478	1.0817
H7	2.1430	2.5147	1.0807	3.2659	2.2395	3.3229		4.2265	2.7192	4.3478
H8	2.1430	2.5147	3.2659	1.0807	3.3229	2.2395	4.2265		4.3478	2.7192
H9	3.2665	4.2029	2.1918	3.3051	1.0817	2.2478	2.7192	4.3478		2.7231
H10	3.2665	4.2029	3.3051	2.1918	2.2478	1.0817	4.3478	2.7192	2.7231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.750	N1	C3	H7	121.185
N1	C4	C6	107.750	N1	C4	H8	121.185
H2	N1	C3	125.119	H2	N1	C4	125.119
C3	N1	C4	109.763	C3	C5	C6	107.368
C3	C5	H9	125.783	C4	C6	C5	107.368
C4	C6	H10	125.783	C5	C3	H7	131.064
C5	C6	H10	126.848	C6	C4	H8	131.064
C6	C5	H9	126.848

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP3/6-31G*

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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All results from a given calculation for C4H5N (Pyrrole)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)