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	hartrees
Energy at 0K	-208.856085
Energy at 298.15K	-208.860793
HF Energy	-208.197074
Nuclear repulsion energy	151.113824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3296	3119	1.17
2	A₁	3257	3082	2.35
3	A₁	1657	1569	2.86
4	A₁	1512	1431	27.60
5	A₁	1263	1196	4.02
6	A₁	1138	1078	40.10
7	A₁	1087	1029	0.02
8	A₁	905	857	11.51
9	A₂	861	815	0.00
10	A₂	857	811	0.00
11	A₂	506	479	0.00
12	B₁	853	807	0.00
13	B₁	717	678	63.68
14	B₁	571	540	24.57
15	B₂	11378	10769	0.00
16	B₂	3271	3096	110.98
17	B₂	3249	3076	147.65
18	B₂	1344	1273	0.85
19	B₂	1321	1250	244.88
20	B₂	1046	990	8.85
21	B₂	894	847	61.34

Atom	y (Å)	z (Å)
N1	0.000	1.245
C2	1.059	0.424
C3	-1.059	0.424
C4	0.682	-0.982
C5	-0.682	-0.982
H6	2.071	0.820
H7	-2.071	0.820
H8	1.359	-1.828
H9	-1.359	-1.828

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3395	1.3395	2.3292	2.3292	2.1138	2.1138	3.3602	3.3602
C2	1.3395		2.1175	1.4564	2.2379	1.0868	3.1545	2.2726	3.3046
C3	1.3395	2.1175		2.2379	1.4564	3.1545	1.0868	3.3046	2.2726
C4	2.3292	1.4564	2.2379		1.3633	2.2760	3.2903	1.0837	2.2092
C5	2.3292	2.2379	1.4564	1.3633		3.2903	2.2760	2.2092	1.0837
H6	2.1138	1.0868	3.1545	2.2760	3.2903		4.1416	2.7427	4.3336
H7	2.1138	3.1545	1.0868	3.2903	2.2760	4.1416		4.3336	2.7427
H8	3.3602	2.2726	3.3046	1.0837	2.2092	2.7427	4.3336		2.7183
H9	3.3602	3.3046	2.2726	2.2092	1.0837	4.3336	2.7427	2.7183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.766	N1	C2	H6	120.851
N1	C3	C5	112.766	N1	C3	H7	120.851
C2	N1	C3	104.454	C2	C4	C5	105.007
C2	C4	H8	126.302	C3	C5	C4	105.007
C3	C5	H9	126.302	C4	C2	H6	126.383
C4	C5	H9	128.692	C5	C3	H7	126.383
C5	C4	H8	128.692

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

using model chemistry: CCD/6-31G*

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: CCD/6-31G*

States and conformations

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