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	hartrees
Energy at 0K	-208.758777
Energy at 298.15K	-208.763589
HF Energy	-208.197954
Nuclear repulsion energy	151.822069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3382	3124	1.11
2	A₁	3345	3090	2.62
3	A₁	1674	1546	0.99
4	A₁	1553	1434	28.22
5	A₁	1279	1181	3.99
6	A₁	1161	1073	36.94
7	A₁	1106	1022	0.25
8	A₁	924	854	12.52
9	A₂	935	864	0.00
10	A₂	883	815	0.00
11	A₂	530	490	0.00
12	B₁	879	812	0.83
13	B₁	757	700	66.92
14	B₁	583	539	24.39
15	B₂	4818	4451	67156.38
16	B₂	3354	3098	126.67
17	B₂	3335	3080	228.89
18	B₂	1395	1289	80.77
19	B₂	1355	1251	65.55
20	B₂	1075	993	0.01
21	B₂	925	854	1.13

Atom	y (Å)	z (Å)
N1	0.000	1.239
C2	1.056	0.423
C3	-1.056	0.423
C4	0.676	-0.979
C5	-0.676	-0.979
H6	2.061	0.815
H7	-2.061	0.815
H8	1.349	-1.819
H9	-1.349	-1.819

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3339	1.3339	2.3181	2.3181	2.1044	2.1044	3.3424	3.3424
C2	1.3339		2.1112	1.4524	2.2279	1.0794	3.1415	2.2618	3.2879
C3	1.3339	2.1112		2.2279	1.4524	3.1415	1.0794	3.2879	2.2618
C4	2.3181	1.4524	2.2279		1.3519	2.2665	3.2727	1.0768	2.1922
C5	2.3181	2.2279	1.4524	1.3519		3.2727	2.2665	2.1922	1.0768
H6	2.1044	1.0794	3.1415	2.2665	3.2727		4.1227	2.7295	4.3092
H7	2.1044	3.1415	1.0794	3.2727	2.2665	4.1227		4.3092	2.7295
H8	3.3424	2.2618	3.2879	1.0768	2.1922	2.7295	4.3092		2.6971
H9	3.3424	3.2879	2.2618	2.1922	1.0768	4.3092	2.7295	2.6971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.534	N1	C2	H6	121.019
N1	C3	C5	112.534	N1	C3	H7	121.019
C2	N1	C3	104.625	C2	C4	C5	105.153
C2	C4	H8	126.193	C3	C5	C4	105.153
C3	C5	H9	126.193	C4	C2	H6	126.446
C4	C5	H9	128.654	C5	C3	H7	126.446
C5	C4	H8	128.654

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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