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	hartrees
Energy at 0K	-34.494875
Energy at 298.15K	-34.499587
HF Energy	-33.902534
Nuclear repulsion energy	75.796384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3289	3122	0.90
2	A₁	3256	3091	0.85
3	A₁	1583	1503	22.72
4	A₁	1471	1397	30.64
5	A₁	1252	1189	14.59
6	A₁	1112	1056	40.84
7	A₁	1072	1018	9.67
8	A₁	875	831	9.65
9	A₂	904	858	0.00
10	A₂	861	817	0.00
11	A₂	511	486	0.00
12	B₁	893	848	0.41
13	B₁	740	702	106.76
14	B₁	569	540	31.07
15	B₂	19535	18546	0.00
16	B₂	3260	3095	104.21
17	B₂	3242	3078	57.14
18	B₂	1315	1249	139.19
19	B₂	1290	1224	15.20
20	B₂	1024	973	0.12
21	B₂	875	830	4.75

Atom	y (Å)	z (Å)
N1	0.000	1.260
C2	1.066	0.429
C3	-1.066	0.429
C4	0.700	-0.996
C5	-0.700	-0.996
H6	2.083	0.835
H7	-2.083	0.835
H8	1.382	-1.847
H9	-1.382	-1.847

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3510	1.3510	2.3613	2.3613	2.1255	2.1255	3.4002	3.4002
C2	1.3510		2.1318	1.4711	2.2692	1.0949	3.1747	2.2982	3.3430
C3	1.3510	2.1318		2.2692	1.4711	3.1747	1.0949	3.3430	2.2982
C4	2.3613	1.4711	2.2692		1.4003	2.2944	3.3312	1.0910	2.2499
C5	2.3613	2.2692	1.4711	1.4003		3.3312	2.2944	2.2499	1.0910
H6	2.1255	1.0949	3.1747	2.2944	3.3312		4.1655	2.7723	4.3821
H7	2.1255	3.1747	1.0949	3.3312	2.2944	4.1655		4.3821	2.7723
H8	3.4002	2.2982	3.3430	1.0910	2.2499	2.7723	4.3821		2.7649
H9	3.4002	3.3430	2.2982	2.2499	1.0910	4.3821	2.7723	2.7649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	113.518	N1	C2	H6	120.317
N1	C3	C5	113.518	N1	C3	H7	120.317
C2	N1	C3	104.174	C2	C4	C5	104.395
C2	C4	H8	126.895	C3	C5	C4	104.395
C3	C5	H9	126.895	C4	C2	H6	126.165
C4	C5	H9	128.710	C5	C3	H7	126.165
C5	C4	H8	128.710

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

using model chemistry: MP2/CEP-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: MP2/CEP-31G*

States and conformations

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