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	hartrees
Energy at 0K	-34.551377
Energy at 298.15K	-34.555956
HF Energy	-33.915446
Nuclear repulsion energy	76.312820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3282	3127	1.54
2	A₁	3252	3099	0.48
3	A₁	1578	1504	23.11
4	A₁	1442	1374	26.93
5	A₁	1252	1193	17.07
6	A₁	1104	1052	47.05
7	A₁	1076	1026	2.62
8	A₁	881	840	10.88
9	A₂	846	806	0.00
10	A₂	726	692	0.00
11	A₂	436	415	0.00
12	B₁	863	822	1.95
13	B₁	701	668	88.32
14	B₁	561	534	27.26
15	B₂	49139	46820	0.00
16	B₂	3260	3106	86.81
17	B₂	3245	3092	73.73
18	B₂	1311	1249	130.19
19	B₂	1298	1237	23.23
20	B₂	1025	977	1.10
21	B₂	881	839	6.85

Atom	y (Å)	z (Å)
N1	0.000	1.252
C2	1.062	0.424
C3	-1.062	0.424
C4	0.693	-0.987
C5	-0.693	-0.987
H6	2.072	0.825
H7	-2.072	0.825
H8	1.367	-1.835
H9	-1.367	-1.835

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3464	1.3464	2.3436	2.3436	2.1157	2.1157	3.3765	3.3765
C2	1.3464		2.1237	1.4586	2.2516	1.0870	3.1596	2.2801	3.3175
C3	1.3464	2.1237		2.2516	1.4586	3.1596	1.0870	3.3175	2.2801
C4	2.3436	1.4586	2.2516		1.3854	2.2774	3.3057	1.0839	2.2278
C5	2.3436	2.2516	1.4586	1.3854		3.3057	2.2774	2.2278	1.0839
H6	2.1157	1.0870	3.1596	2.2774	3.3057		4.1444	2.7522	4.3483
H7	2.1157	3.1596	1.0870	3.3057	2.2774	4.1444		4.3483	2.7522
H8	3.3765	2.2801	3.3175	1.0839	2.2278	2.7522	4.3483		2.7345
H9	3.3765	3.3175	2.2801	2.2278	1.0839	4.3483	2.7522	2.7345

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	113.276	N1	C2	H6	120.418
N1	C3	C5	113.276	N1	C3	H7	120.418
C2	N1	C3	104.125	C2	C4	C5	104.661
C2	C4	H8	126.851	C3	C5	C4	104.661
C3	C5	H9	126.851	C4	C2	H6	126.305
C4	C5	H9	128.488	C5	C3	H7	126.305
C5	C4	H8	128.488

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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