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	hartrees
Energy at 0K	-209.101336
Energy at 298.15K
HF Energy	-208.258995
Nuclear repulsion energy	150.627410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3280	3136
2	A₁	3238	3096
3	A₁	1603	1533
4	A₁	1496	1430
5	A₁	1220	1167
6	A₁	1139	1089
7	A₁	1087	1039
8	A₁	882	843
9	A₂	755	722
10	A₂	557	533
11	A₂	219i	210i
12	B₁	704	673
13	B₁	641	613
14	B₁	527	504
15	B₂	3265	3121
16	B₂	3233	3090
17	B₂	1621	1550
18	B₂	1357	1297
19	B₂	1207	1154
20	B₂	1078	1031
21	B₂	833	796

Atom	y (Å)	z (Å)
N1	0.000	1.251
C2	1.065	0.425
C3	-1.065	0.425
C4	0.681	-0.987
C5	-0.681	-0.987
H6	2.073	0.819
H7	-2.073	0.819
H8	1.355	-1.830
H9	-1.355	-1.830

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3478	1.3478	2.3390	2.3390	2.1175	2.1175	3.3657	3.3657
C2	1.3478		2.1305	1.4632	2.2459	1.0822	3.1630	2.2738	3.3082
C3	1.3478	2.1305		2.2459	1.4632	3.1630	1.0822	3.3082	2.2738
C4	2.3390	1.4632	2.2459		1.3627	2.2801	3.2938	1.0794	2.2041
C5	2.3390	2.2459	1.4632	1.3627		3.2938	2.2801	2.2041	1.0794
H6	2.1175	1.0822	3.1630	2.2801	3.2938		4.1462	2.7450	4.3326
H7	2.1175	3.1630	1.0822	3.2938	2.2801	4.1462		4.3326	2.7450
H8	3.3657	2.2738	3.3082	1.0794	2.2041	2.7450	4.3326		2.7101
H9	3.3657	3.3082	2.2738	2.2041	1.0794	4.3326	2.7450	2.7101

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.566	N1	C2	H6	120.861
N1	C3	C5	112.566	N1	C3	H7	120.861
C2	N1	C3	104.444	C2	C4	C5	105.212
C2	C4	H8	126.167	C3	C5	C4	105.212
C3	C5	H9	126.167	C4	C2	H6	126.573
C4	C5	H9	128.621	C5	C3	H7	126.573
C5	C4	H8	128.621

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

using model chemistry: CCSD(T)=FULL/TZVP

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(T)=FULL/TZVP

States and conformations

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