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	hartrees
Energy at 0K	-208.529186
Energy at 298.15K	-208.533833
HF Energy	-208.098410
Nuclear repulsion energy	149.198879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3300	3135	0.16
2	A₁	3278	3114	3.90
3	A₁	1545	1468	1.96
4	A₁	1407	1337	17.89
5	A₁	1238	1176	10.25
6	A₁	1111	1055	34.36
7	A₁	1073	1020	13.23
8	A₁	913	868	13.00
9	A₂	837	795	0.00
10	A₂	777	738	0.00
11	A₂	500	475	0.00
12	B₁	841	799	1.36
13	B₁	685	650	82.90
14	B₁	575	546	26.19
15	B₂	5501	5226	119107.70
16	B₂	3273	3110	191.95
17	B₂	3264	3101	6.97
18	B₂	1336	1269	28.99
19	B₂	1299	1234	97.22
20	B₂	1001	951	11.24
21	B₂	888	844	8.90

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		1.3624	1.3624	2.3509	2.3509	2.1331	2.1331	3.3853	3.3853
C2	1.3624		2.1656	1.4712	2.2745	1.0844	3.1983	2.2884	3.3394
C3	1.3624	2.1656		2.2745	1.4712	3.1983	1.0844	3.3394	2.2884
C4	2.3509	1.4712	2.2745		1.3893	2.2939	3.3271	1.0843	2.2293
C5	2.3509	2.2745	1.4712	1.3893		3.3271	2.2939	2.2293	1.0843
H6	2.1331	1.0844	3.1983	2.2939	3.3271		4.1805	2.7687	4.3685
H7	2.1331	3.1983	1.0844	3.3271	2.2939	4.1805		4.3685	2.7687
H8	3.3853	2.2884	3.3394	1.0843	2.2293	2.7687	4.3685		2.7312
H9	3.3853	3.3394	2.2884	2.2293	1.0843	4.3685	2.7687	2.7312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.067	N1	C2	H6	120.910
N1	C3	C5	112.067	N1	C3	H7	120.910
C2	N1	C3	105.269	C2	C4	C5	105.298
C2	C4	H8	126.472	C3	C5	C4	105.298
C3	C5	H9	126.472	C4	C2	H6	127.022
C4	C5	H9	128.230	C5	C3	H7	127.022
C5	C4	H8	128.230

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

using model chemistry: MP2=FULL/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=FULL/6-31G

States and conformations

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