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	hartrees
Energy at 0K	-208.522725
Energy at 298.15K	-208.527369
HF Energy	-208.098368
Nuclear repulsion energy	149.178417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3299	3157	0.17
2	A₁	3278	3136	3.94
3	A₁	1545	1478	1.96
4	A₁	1407	1346	17.93
5	A₁	1237	1184	10.20
6	A₁	1111	1063	34.37
7	A₁	1073	1027	13.18
8	A₁	913	874	13.00
9	A₂	836	800	0.00
10	A₂	775	741	0.00
11	A₂	500	478	0.00
12	B₁	839	803	1.38
13	B₁	683	654	82.91
14	B₁	574	550	26.19
15	B₂	5464	5228	115889.40
16	B₂	3273	3131	193.96
17	B₂	3263	3122	7.12
18	B₂	1336	1278	29.12
19	B₂	1298	1242	96.84
20	B₂	1001	957	11.19
21	B₂	888	850	8.87

Atom	y (Å)	z (Å)
N1	0.000	1.255
C2	1.083	0.428
C3	-1.083	0.428
C4	0.695	-0.991
C5	-0.695	-0.991
H6	2.090	0.829
H7	-2.090	0.829
H8	1.366	-1.843
H9	-1.366	-1.843

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3626	1.3626	2.3513	2.3513	2.1334	2.1334	3.3858	3.3858
C2	1.3626		2.1659	1.4715	2.2748	1.0845	3.1987	2.2887	3.3398
C3	1.3626	2.1659		2.2748	1.4715	3.1987	1.0845	3.3398	2.2887
C4	2.3513	1.4715	2.2748		1.3895	2.2941	3.3275	1.0844	2.2297
C5	2.3513	2.2748	1.4715	1.3895		3.3275	2.2941	2.2297	1.0844
H6	2.1334	1.0845	3.1987	2.2941	3.3275		4.1809	2.7690	4.3690
H7	2.1334	3.1987	1.0845	3.3275	2.2941	4.1809		4.3690	2.7690
H8	3.3858	2.2887	3.3398	1.0844	2.2297	2.7690	4.3690		2.7316
H9	3.3858	3.3398	2.2887	2.2297	1.0844	4.3690	2.7690	2.7316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.070	N1	C2	H6	120.912
N1	C3	C5	112.070	N1	C3	H7	120.912
C2	N1	C3	105.267	C2	C4	C5	105.297
C2	C4	H8	126.470	C3	C5	C4	105.297
C3	C5	H9	126.470	C4	C2	H6	127.018
C4	C5	H9	128.233	C5	C3	H7	127.018
C5	C4	H8	128.233

All results from a given calculation for C₄H₄N (pyrrolide radical)

using model chemistry: MP2/6-31G

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 C4H4N (pyrrolide radical)

using model chemistry: MP2/6-31G

States and conformations

All results from a given calculation for C₄H₄N (pyrrolide radical)