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	hartrees
Energy at 0K	-208.923917
Energy at 298.15K	-208.928640
HF Energy	-208.211769
Nuclear repulsion energy	151.337824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3361	3131	0.90
2	A₁	3325	3097	0.50
3	A₁	1634	1523	10.78
4	A₁	1513	1409	30.07
5	A₁	1266	1180	8.60
6	A₁	1135	1057	39.83
7	A₁	1091	1016	0.19
8	A₁	908	846	8.82
9	A₂	871	811	0.00
10	A₂	853	795	0.00
11	A₂	493	459	0.00
12	B₁	860	802	0.66
13	B₁	715	666	83.28
14	B₁	568	529	24.32
15	B₂	7921	7379	677688.40
16	B₂	3337	3109	71.90
17	B₂	3317	3090	80.23
18	B₂	1363	1270	51.52
19	B₂	1333	1241	95.80
20	B₂	1050	978	2.05
21	B₂	904	842	0.78

Atom	y (Å)	z (Å)
N1	0.000	1.242
C2	1.059	0.424
C3	-1.059	0.424
C4	0.683	-0.981
C5	-0.683	-0.981
H6	2.063	0.817
H7	-2.063	0.817
H8	1.355	-1.820
H9	-1.355	-1.820

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3385	1.3385	2.3258	2.3258	2.1062	2.1062	3.3490	3.3490
C2	1.3385		2.1182	1.4544	2.2378	1.0781	3.1467	2.2636	3.2962
C3	1.3385	2.1182		2.2378	1.4544	3.1467	1.0781	3.2962	2.2636
C4	2.3258	1.4544	2.2378		1.3654	2.2669	3.2821	1.0754	2.2039
C5	2.3258	2.2378	1.4544	1.3654		3.2821	2.2669	2.2039	1.0754
H6	2.1062	1.0781	3.1467	2.2669	3.2821		4.1257	2.7308	4.3174
H7	2.1062	3.1467	1.0781	3.2821	2.2669	4.1257		4.3174	2.7308
H8	3.3490	2.2636	3.2962	1.0754	2.2039	2.7308	4.3174		2.7103
H9	3.3490	3.2962	2.2636	2.2039	1.0754	4.3174	2.7308	2.7103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.698	N1	C2	H6	120.899
N1	C3	C5	112.698	N1	C3	H7	120.899
C2	N1	C3	104.606	C2	C4	C5	104.999
C2	C4	H8	126.296	C3	C5	C4	104.999
C3	C5	H9	126.296	C4	C2	H6	126.403
C4	C5	H9	128.705	C5	C3	H7	126.403
C5	C4	H8	128.705

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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