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	hartrees
Energy at 0K	-208.926126
Energy at 298.15K	-208.930846
HF Energy	-208.242691
Nuclear repulsion energy	151.276696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3295	3130	0.57
2	A₁	3252	3090	0.33
3	A₁	1591	1511	18.82
4	A₁	1451	1379	27.60
5	A₁	1266	1203	10.81
6	A₁	1113	1058	39.65
7	A₁	1075	1021	4.93
8	A₁	891	846	11.26
9	A₂	890	846	0.00
10	A₂	842	800	0.00
11	A₂	492	468	0.00
12	B₁	897	852	0.16
13	B₁	711	676	63.41
14	B₁	564	536	29.97
15	B₂	28093	26694	0.00
16	B₂	3272	3109	50.86
17	B₂	3244	3083	76.53
18	B₂	1320	1254	113.53
19	B₂	1300	1236	31.38
20	B₂	1029	978	1.23
21	B₂	886	842	6.40

Atom	y (Å)	z (Å)
N1	0.000	1.244
C2	1.054	0.423
C3	-1.054	0.423
C4	0.688	-0.981
C5	-0.688	-0.981
H6	2.064	0.819
H7	-2.064	0.819
H8	1.362	-1.826
H9	-1.362	-1.826

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3361	1.3361	2.3288	2.3288	2.1072	2.1072	3.3589	3.3589
C2	1.3361		2.1076	1.4501	2.2371	1.0851	3.1428	2.2699	3.3008
C3	1.3361	2.1076		2.2371	1.4501	3.1428	1.0851	3.3008	2.2699
C4	2.3288	1.4501	2.2371		1.3768	2.2651	3.2885	1.0813	2.2183
C5	2.3288	2.2371	1.4501	1.3768		3.2885	2.2651	2.2183	1.0813
H6	2.1072	1.0851	3.1428	2.2651	3.2885		4.1278	2.7365	4.3286
H7	2.1072	3.1428	1.0851	3.2885	2.2651	4.1278		4.3286	2.7365
H8	3.3589	2.2699	3.3008	1.0813	2.2183	2.7365	4.3286		2.7249
H9	3.3589	3.3008	2.2699	2.2183	1.0813	4.3286	2.7365	2.7249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	113.341	N1	C2	H6	120.646
N1	C3	C5	113.341	N1	C3	H7	120.646
C2	N1	C3	104.131	C2	C4	C5	104.593
C2	C4	H8	126.844	C3	C5	C4	104.593
C3	C5	H9	126.844	C4	C2	H6	126.013
C4	C5	H9	128.563	C5	C3	H7	126.013
C5	C4	H8	128.563

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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