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	hartrees
Energy at 0K	-208.936046
Energy at 298.15K	-208.940688
HF Energy	-208.222594
Nuclear repulsion energy	149.595347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3277	3157	1.44
2	A₁	3239	3121	1.19
3	A₁	1575	1517	0.78
4	A₁	1465	1411	22.36
5	A₁	1200	1156	1.80
6	A₁	1094	1054	30.15
7	A₁	1047	1008	0.30
8	A₁	874	842	9.72
9	A₂	871	839	0.00
10	A₂	822	792	0.00
11	A₂	489	471	0.00
12	B₁	813	784	0.00
13	B₁	702	676	72.27
14	B₁	544	524	17.08
15	B₂	3259	3139	1.47
16	B₂	3235	3117	1.75
17	B₂	1995	1922	1293.51
18	B₂	1300	1252	31.57
19	B₂	1254	1208	109.25
20	B₂	1025	987	0.89
21	B₂	857	826	2.54

Atom	y (Å)	z (Å)
N1	0.000	1.257
C2	1.073	0.429
C3	-1.073	0.429
C4	0.686	-0.993
C5	-0.686	-0.993
H6	2.090	0.828
H7	-2.090	0.828
H8	1.366	-1.845
H9	-1.366	-1.845

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3553	1.3553	2.3522	2.3522	2.1338	2.1338	3.3899	3.3899
C2	1.3553		2.1457	1.4733	2.2617	1.0928	3.1881	2.2933	3.3346
C3	1.3553	2.1457		2.2617	1.4733	3.1881	1.0928	3.3346	2.2933
C4	2.3522	1.4733	2.2617		1.3724	2.2990	3.3201	1.0904	2.2221
C5	2.3522	2.2617	1.4733	1.3724		3.3201	2.2990	2.2221	1.0904
H6	2.1338	1.0928	3.1881	2.2990	3.3201		4.1804	2.7697	4.3692
H7	2.1338	3.1881	1.0928	3.3201	2.2990	4.1804		4.3692	2.7697
H8	3.3899	2.2933	3.3346	1.0904	2.2221	2.7697	4.3692		2.7315
H9	3.3899	3.3346	2.2933	2.2221	1.0904	4.3692	2.7697	2.7315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.454	N1	C2	H6	120.926
N1	C3	C5	112.454	N1	C3	H7	120.926
C2	N1	C3	104.667	C2	C4	C5	105.213
C2	C4	H8	126.238	C3	C5	C4	105.213
C3	C5	H9	126.238	C4	C2	H6	126.620
C4	C5	H9	128.549	C5	C3	H7	126.620
C5	C4	H8	128.549

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

using model chemistry: CCSD/aug-cc-pVDZ

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: CCSD/aug-cc-pVDZ

States and conformations

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