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	hartrees
Energy at 0K	-205.881863
Energy at 298.15K
HF Energy	-205.577060
Nuclear repulsion energy	146.720876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3666	3666
2	A₁	3572	3572
3	A₁	2573	2573
4	A₁	1659	1659
5	A₁	1513	1513
6	A₁	1155	1155
7	A₁	1122	1122
8	A₁	974	974
9	A₂	981	981
10	A₂	785	785
11	A₂	530	530
12	B₁	808	808
13	B₁	701	701
14	B₁	546	546
15	B₂	4177	4177
16	B₂	3544	3544
17	B₂	3349	3349
18	B₂	2089	2089
19	B₂	1407	1407
20	B₂	1055	1055
21	B₂	1136i	1136i

Atom	y (Å)	z (Å)
N1	0.000	1.308
C2	1.093	0.430
C3	-1.093	0.430
C4	0.684	-1.016
C5	-0.684	-1.016
H6	2.128	0.811
H7	-2.128	0.811
H8	1.371	-1.871
H9	-1.371	-1.871

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.4027	1.4027	2.4228	2.4228	2.1857	2.1857	3.4628	3.4628
C2	1.4027		2.1869	1.5024	2.2912	1.1031	3.2444	2.3177	3.3719
C3	1.4027	2.1869		2.2912	1.5024	3.2444	1.1031	3.3719	2.3177
C4	2.4228	1.5024	2.2912		1.3682	2.3291	3.3539	1.0973	2.2263
C5	2.4228	2.2912	1.5024	1.3682		3.3539	2.3291	2.2263	1.0973
H6	2.1857	1.1031	3.2444	2.3291	3.3539		4.2568	2.7874	4.4096
H7	2.1857	3.2444	1.1031	3.3539	2.3291	4.2568		4.4096	2.7874
H8	3.4628	2.3177	3.3719	1.0973	2.2263	2.7874	4.4096		2.7427
H9	3.4628	3.3719	2.3177	2.2263	1.0973	4.4096	2.7874	2.7427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.974	N1	C2	H6	120.977
N1	C3	C5	112.974	N1	C3	H7	120.977
C2	N1	C3	102.431	C2	C4	C5	105.811
C2	C4	H8	125.410	C3	C5	C4	105.811
C3	C5	H9	125.410	C4	C2	H6	126.050
C4	C5	H9	128.779	C5	C3	H7	126.050
C5	C4	H8	128.779

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

using model chemistry: ROMP2/STO-3G

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: ROMP2/STO-3G

States and conformations

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