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	hartrees
Energy at 0K	-208.997476
Energy at 298.15K	-209.002267
HF Energy	-208.218090
Nuclear repulsion energy	151.522561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3316	3141	0.46
2	A₁	3271	3098	0.66
3	A₁	1620	1534	4.42
4	A₁	1490	1412	26.67
5	A₁	1259	1192	4.51
6	A₁	1124	1065	37.05
7	A₁	1077	1020	0.06
8	A₁	900	853	12.98
9	A₂	931	882	0.00
10	A₂	893	845	0.00
11	A₂	524	496	0.00
12	B₁	896	849	0.20
13	B₁	745	706	52.09
14	B₁	578	547	21.13
15	B₂	7897	7480	508054.90
16	B₂	3291	3117	47.60
17	B₂	3262	3090	95.24
18	B₂	1337	1267	57.18
19	B₂	1314	1245	80.62
20	B₂	1037	982	0.57
21	B₂	895	848	0.05

Atom	y (Å)	z (Å)
N1	0.000	1.242
C2	1.055	0.424
C3	-1.055	0.424
C4	0.680	-0.981
C5	-0.680	-0.981
H6	2.063	0.817
H7	-2.063	0.817
H8	1.356	-1.821
H9	-1.356	-1.821

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3347	1.3347	2.3244	2.3244	2.1065	2.1065	3.3497	3.3497
C2	1.3347		2.1103	1.4543	2.2332	1.0821	3.1431	2.2656	3.2950
C3	1.3347	2.1103		2.2332	1.4543	3.1431	1.0821	3.2950	2.2656
C4	2.3244	1.4543	2.2332		1.3610	2.2684	3.2805	1.0783	2.2033
C5	2.3244	2.2332	1.4543	1.3610		3.2805	2.2684	2.2033	1.0783
H6	2.1065	1.0821	3.1431	2.2684	3.2805		4.1266	2.7316	4.3191
H7	2.1065	3.1431	1.0821	3.2805	2.2684	4.1266		4.3191	2.7316
H8	3.3497	2.2656	3.2950	1.0783	2.2033	2.7316	4.3191		2.7125
H9	3.3497	3.2950	2.2656	2.2033	1.0783	4.3191	2.7316	2.7125

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.834	N1	C2	H6	120.942
N1	C3	C5	112.834	N1	C3	H7	120.942
C2	N1	C3	104.475	C2	C4	C5	104.928
C2	C4	H8	126.267	C3	C5	C4	104.928
C3	C5	H9	126.267	C4	C2	H6	126.224
C4	C5	H9	128.805	C5	C3	H7	126.224
C5	C4	H8	128.805

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

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

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