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	hartrees
Energy at 0K	-209.134671
Energy at 298.15K	-209.139494
HF Energy	-208.267208
Nuclear repulsion energy	152.333494

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3319	3151	0.19
2	A₁	3273	3108	0.03
3	A₁	1600	1519	17.25
4	A₁	1464	1390	27.39
5	A₁	1276	1211	11.39
6	A₁	1122	1065	42.07
7	A₁	1089	1034	4.89
8	A₁	899	853	12.82
9	A₂	964	915	0.00
10	A₂	891	846	0.00
11	A₂	525	498	0.00
12	B₁	946	898	0.01
13	B₁	745	707	62.60
14	B₁	574	545	26.77
15	B₂	8568	8135	812023.60
16	B₂	3293	3126	57.81
17	B₂	3265	3099	76.25
18	B₂	1336	1268	110.00
19	B₂	1313	1246	33.96
20	B₂	1041	988	0.88
21	B₂	894	848	7.04

Atom	y (Å)	z (Å)
N1	0.000	1.236
C2	1.049	0.419
C3	-1.049	0.419
C4	0.684	-0.972
C5	-0.684	-0.972
H6	2.051	0.808
H7	-2.051	0.808
H8	1.351	-1.811
H9	-1.351	-1.811

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3293	1.3293	2.3112	2.3112	2.0950	2.0950	3.3325	3.3325
C2	1.3293		2.0975	1.4379	2.2219	1.0751	3.1240	2.2499	3.2756
C3	1.3293	2.0975		2.2219	1.4379	3.1240	1.0751	3.2756	2.2499
C4	2.3112	1.4379	2.2219		1.3680	2.2444	3.2632	1.0716	2.2011
C5	2.3112	2.2219	1.4379	1.3680		3.2632	2.2444	2.2011	1.0716
H6	2.0950	1.0751	3.1240	2.2444	3.2632		4.1018	2.7107	4.2932
H7	2.0950	3.1240	1.0751	3.2632	2.2444	4.1018		4.2932	2.7107
H8	3.3325	2.2499	3.2756	1.0716	2.2011	2.7107	4.2932		2.7021
H9	3.3325	3.2756	2.2499	2.2011	1.0716	4.2932	2.7107	2.7021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	113.221	N1	C2	H6	120.856
N1	C3	C5	113.221	N1	C3	H7	120.856
C2	N1	C3	104.168	C2	C4	C5	104.694
C2	C4	H8	126.807	C3	C5	C4	104.694
C3	C5	H9	126.807	C4	C2	H6	125.923
C4	C5	H9	128.499	C5	C3	H7	125.923
C5	C4	H8	128.499

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

using model chemistry: MP2=FULL/cc-pVTZ

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: MP2=FULL/cc-pVTZ

States and conformations

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