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	hartrees
Energy at 0K	-209.063654
Energy at 298.15K	-209.068429
HF Energy	-208.273781
Nuclear repulsion energy	151.814248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3300	3140	0.16
2	A₁	3262	3104	0.00
3	A₁	1588	1511	20.43
4	A₁	1447	1377	27.35
5	A₁	1267	1205	12.47
6	A₁	1113	1059	43.06
7	A₁	1077	1025	5.15
8	A₁	892	849	11.91
9	A₂	938	893	0.00
10	A₂	878	835	0.00
11	A₂	516	491	0.00
12	B₁	928	883	0.10
13	B₁	732	696	64.67
14	B₁	568	541	27.85
15	B₂	11322	10773	2633699.00
16	B₂	3277	3119	54.08
17	B₂	3254	3096	69.53
18	B₂	1324	1260	107.89
19	B₂	1305	1242	35.08
20	B₂	1035	984	0.67
21	B₂	889	846	7.10

Atom	y (Å)	z (Å)
N1	0.000	1.255
C2	1.043	0.413
C3	-1.043	0.413
C4	0.689	-0.977
C5	-0.689	-0.977
H6	2.044	0.815
H7	-2.044	0.815
H8	1.347	-1.829
H9	-1.347	-1.829

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3400	1.3400	2.3359	2.3359	2.0911	2.0911	3.3658	3.3658
C2	1.3400		2.0851	1.4344	2.2205	1.0794	3.1129	2.2632	3.2772
C3	1.3400	2.0851		2.2205	1.4344	3.1129	1.0794	3.2772	2.2632
C4	2.3359	1.4344	2.2205		1.3779	2.2470	3.2685	1.0770	2.2074
C5	2.3359	2.2205	1.4344	1.3779		3.2685	2.2470	2.2074	1.0770
H6	2.0911	1.0794	3.1129	2.2470	3.2685		4.0886	2.7349	4.3008
H7	2.0911	3.1129	1.0794	3.2685	2.2470	4.0886		4.3008	2.7349
H8	3.3658	2.2632	3.2772	1.0770	2.2074	2.7349	4.3008		2.6945
H9	3.3658	3.2772	2.2632	2.2074	1.0770	4.3008	2.7349	2.6945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	114.652	N1	C2	H6	119.211
N1	C3	C5	114.652	N1	C3	H7	119.211
C2	N1	C3	102.158	C2	C4	C5	104.269
C2	C4	H8	128.054	C3	C5	C4	104.269
C3	C5	H9	128.054	C4	C2	H6	126.137
C4	C5	H9	127.676	C5	C3	H7	126.137
C5	C4	H8	127.676

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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