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	hartrees
Energy at 0K	-207.414220
Energy at 298.15K
HF Energy	-207.015446
Nuclear repulsion energy	149.559009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	4549	4250	525.78
2	A₁	3320	3102	5.36
3	A₁	3125	2920	10.09
4	A₁	1450	1355	3.96
5	A₁	1214	1134	4.22
6	A₁	1049	981	30.70
7	A₁	948	886	13.73
8	A₁	2110i	1972i	74.54
9	A₂	1378	1287	0.00
10	A₂	1023	956	0.00
11	A₂	621	580	0.00
12	B₁	1211	1132	179.75
13	B₁	917	857	4.22
14	B₁	582	544	0.00
15	B₂	24365	22767	0.00
16	B₂	3299	3083	733.89
17	B₂	2136	1996	8262.18
18	B₂	1489	1391	4164.28
19	B₂	1174	1097	2256.03
20	B₂	765	714	548.00
21	B₂	6865i	6415i	125.87

Atom	y (Å)	z (Å)
N1	0.000	1.253
C2	1.084	0.433
C3	-1.084	0.433
C4	0.679	-0.995
C5	-0.679	-0.995
H6	2.089	0.820
H7	-2.089	0.820
H8	1.347	-1.838
H9	-1.347	-1.838

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3595	1.3595	2.3481	2.3481	2.1338	2.1338	3.3721	3.3721
C2	1.3595		2.1690	1.4843	2.2692	1.0767	3.1973	2.2867	3.3275
C3	1.3595	2.1690		2.2692	1.4843	3.1973	1.0767	3.3275	2.2867
C4	2.3481	1.4843	2.2692		1.3583	2.2981	3.3102	1.0760	2.1948
C5	2.3481	2.2692	1.4843	1.3583		3.3102	2.2981	2.1948	1.0760
H6	2.1338	1.0767	3.1973	2.2981	3.3102		4.1787	2.7600	4.3446
H7	2.1338	3.1973	1.0767	3.3102	2.2981	4.1787		4.3446	2.7600
H8	3.3721	2.2867	3.3275	1.0760	2.1948	2.7600	4.3446		2.6941
H9	3.3721	3.3275	2.2867	2.1948	1.0760	4.3446	2.7600	2.6941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.240	N1	C2	H6	121.864
N1	C3	C5	111.240	N1	C3	H7	121.864
C2	N1	C3	105.825	C2	C4	C5	105.847
C2	C4	H8	125.785	C3	C5	C4	105.847
C3	C5	H9	125.785	C4	C2	H6	126.896
C4	C5	H9	128.368	C5	C3	H7	126.896
C5	C4	H8	128.368

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

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

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