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	hartrees
Energy at 0K	-209.543402
Energy at 298.15K	-209.547914
HF Energy	-209.543402
Nuclear repulsion energy	150.769392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3255	3141	4.01
2	A₁	3200	3088	3.50
3	A₁	1562	1508	0.80
4	A₁	1439	1389	22.32
5	A₁	1202	1160	2.34
6	A₁	1096	1058	35.41
7	A₁	1049	1012	0.36
8	A₁	865	834	12.95
9	A₂	901	870	0.00
10	A₂	823	794	0.00
11	A₂	486	469	0.00
12	B₁	832	803	1.32
13	B₁	722	697	46.54
14	B₁	535	516	18.23
15	B₂	3233	3120	8.94
16	B₂	3196	3084	24.67
17	B₂	1355	1308	44.00
18	B₂	1291	1246	0.00
19	B₂	1070	1033	6.96
20	B₂	934	901	0.02
21	B₂	669	646	4.32

Atom	y (Å)	z (Å)
N1	0.000	1.265
C2	1.050	0.415
C3	-1.050	0.415
C4	0.685	-0.983
C5	-0.685	-0.983
H6	2.058	0.816
H7	-2.058	0.816
H8	1.343	-1.840
H9	-1.343	-1.840

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3508	1.3508	2.3499	2.3499	2.1065	2.1065	3.3837	3.3837
C2	1.3508		2.0999	1.4449	2.2281	1.0851	3.1339	2.2747	3.2886
C3	1.3508	2.0999		2.2281	1.4449	3.1339	1.0851	3.2886	2.2747
C4	2.3499	1.4449	2.2281		1.3699	2.2633	3.2805	1.0812	2.2020
C5	2.3499	2.2281	1.4449	1.3699		3.2805	2.2633	2.2020	1.0812
H6	2.1065	1.0851	3.1339	2.2633	3.2805		4.1164	2.7514	4.3160
H7	2.1065	3.1339	1.0851	3.2805	2.2633	4.1164		4.3160	2.7514
H8	3.3837	2.2747	3.2886	1.0812	2.2020	2.7514	4.3160		2.6862
H9	3.3837	3.2886	2.2747	2.2020	1.0812	4.3160	2.7514	2.6862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	114.357	N1	C2	H6	119.318
N1	C3	C5	114.357	N1	C3	H7	119.318
C2	N1	C3	102.021	C2	C4	C5	104.632
C2	C4	H8	127.871	C3	C5	C4	104.632
C3	C5	H9	127.871	C4	C2	H6	126.325
C4	C5	H9	127.497	C5	C3	H7	126.325
C5	C4	H8	127.497

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

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

States and conformations

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