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	hartrees
Energy at 0K	-208.888613
Energy at 298.15K	-208.893353
HF Energy	-208.204799
Nuclear repulsion energy	151.272068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3344	3136	1.45
2	A₁	3301	3095	2.76
3	A₁	1665	1561	3.95
4	A₁	1520	1425	28.49
5	A₁	1266	1187	4.04
6	A₁	1144	1073	35.27
7	A₁	1088	1020	0.16
8	A₁	905	848	11.47
9	A₂	878	823	0.00
10	A₂	869	815	0.00
11	A₂	506	474	0.00
12	B₁	862	808	0.05
13	B₁	726	680	56.44
14	B₁	573	537	23.08
15	B₂	11310	10604	0.00
16	B₂	3319	3112	63.33
17	B₂	3293	3087	147.71
18	B₂	1357	1272	2.53
19	B₂	1331	1248	196.88
20	B₂	1048	983	21.57
21	B₂	894	839	37.91

Atom	y (Å)	z (Å)
N1	0.000	1.245
C2	1.058	0.424
C3	-1.058	0.424
C4	0.681	-0.982
C5	-0.681	-0.982
H6	2.065	0.816
H7	-2.065	0.816
H8	1.355	-1.823
H9	-1.355	-1.823

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3390	1.3390	2.3289	2.3289	2.1093	2.1093	3.3537	3.3537
C2	1.3390		2.1163	1.4560	2.2370	1.0806	3.1479	2.2668	3.2974
C3	1.3390	2.1163		2.2370	1.4560	3.1479	1.0806	3.2974	2.2668
C4	2.3289	1.4560	2.2370		1.3628	2.2690	3.2829	1.0773	2.2030
C5	2.3289	2.2370	1.4560	1.3628		3.2829	2.2690	2.2030	1.0773
H6	2.1093	1.0806	3.1479	2.2690	3.2829		4.1305	2.7329	4.3199
H7	2.1093	3.1479	1.0806	3.2829	2.2690	4.1305		4.3199	2.7329
H8	3.3537	2.2668	3.2974	1.0773	2.2030	2.7329	4.3199		2.7097
H9	3.3537	3.2974	2.2668	2.2030	1.0773	4.3199	2.7329	2.7097

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.794	N1	C2	H6	120.957
N1	C3	C5	112.794	N1	C3	H7	120.957
C2	N1	C3	104.419	C2	C4	C5	104.997
C2	C4	H8	126.311	C3	C5	C4	104.997
C3	C5	H9	126.311	C4	C2	H6	126.249
C4	C5	H9	128.692	C5	C3	H7	126.249
C5	C4	H8	128.692

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

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

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