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	hartrees
Energy at 0K	-208.903942
Energy at 298.15K	-208.908712
HF Energy	-208.214270
Nuclear repulsion energy	150.471806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3322	3124	0.51
2	A₁	3275	3080	1.36
3	A₁	1657	1558	7.21
4	A₁	1506	1416	29.28
5	A₁	1261	1185	2.38
6	A₁	1126	1059	40.61
7	A₁	1064	1000	0.78
8	A₁	898	845	11.38
9	A₂	915	860	0.00
10	A₂	884	831	0.00
11	A₂	516	485	0.00
12	B₁	890	837	0.01
13	B₁	730	686	58.11
14	B₁	575	541	22.50
15	B₂	12994	12218	0.00
16	B₂	3295	3099	66.30
17	B₂	3268	3072	149.91
18	B₂	1320	1241	21.62
19	B₂	1300	1222	305.17
20	B₂	1031	970	65.58
21	B₂	877	825	155.50

Atom	y (Å)	z (Å)
N1	0.000	1.250
C2	1.060	0.428
C3	-1.060	0.428
C4	0.687	-0.988
C5	-0.687	-0.988
H6	2.078	0.825
H7	-2.078	0.825
H8	1.368	-1.837
H9	-1.368	-1.837

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3419	1.3419	2.3416	2.3416	2.1208	2.1208	3.3773	3.3773
C2	1.3419		2.1198	1.4640	2.2484	1.0924	3.1625	2.2858	3.3204
C3	1.3419	2.1198		2.2484	1.4640	3.1625	1.0924	3.3204	2.2858
C4	2.3416	1.4640	2.2484		1.3737	2.2847	3.3057	1.0887	2.2235
C5	2.3416	2.2484	1.4640	1.3737		3.3057	2.2847	2.2235	1.0887
H6	2.1208	1.0924	3.1625	2.2847	3.3057		4.1552	2.7549	4.3541
H7	2.1208	3.1625	1.0924	3.3057	2.2847	4.1552		4.3541	2.7549
H8	3.3773	2.2858	3.3204	1.0887	2.2235	2.7549	4.3541		2.7361
H9	3.3773	3.3204	2.2858	2.2235	1.0887	4.3541	2.7549	2.7361

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	113.062	N1	C2	H6	120.861
N1	C3	C5	113.062	N1	C3	H7	120.861
C2	N1	C3	104.349	C2	C4	C5	104.764
C2	C4	H8	126.503	C3	C5	C4	104.764
C3	C5	H9	126.503	C4	C2	H6	126.077
C4	C5	H9	128.733	C5	C3	H7	126.077
C5	C4	H8	128.733

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

using model chemistry: MP3=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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