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	hartrees
Energy at 0K	-208.873692
Energy at 298.15K	-208.878451
HF Energy	-208.213384
Nuclear repulsion energy	150.633646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3310	3146	0.29
2	A₁	3268	3106	0.53
3	A₁	1597	1518	17.48
4	A₁	1466	1394	27.10
5	A₁	1266	1203	8.08
6	A₁	1114	1059	35.75
7	A₁	1066	1013	8.34
8	A₁	887	843	12.04
9	A₂	928	882	0.00
10	A₂	865	822	0.00
11	A₂	511	486	0.00
12	B₁	913	868	0.01
13	B₁	723	687	54.16
14	B₁	572	543	27.12
15	B₂	70546	67047	0.00
16	B₂	3287	3124	50.59
17	B₂	3260	3098	70.32
18	B₂	1318	1253	113.67
19	B₂	1294	1230	27.59
20	B₂	1028	977	0.55
21	B₂	883	839	5.75

Atom	y (Å)	z (Å)
N1	0.000	1.251
C2	1.056	0.424
C3	-1.056	0.424
C4	0.692	-0.984
C5	-0.692	-0.984
H6	2.075	0.821
H7	-2.075	0.821
H8	1.371	-1.836
H9	-1.371	-1.836

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3414	1.3414	2.3395	2.3395	2.1186	2.1186	3.3775	3.3775
C2	1.3414		2.1127	1.4544	2.2449	1.0932	3.1561	2.2817	3.3168
C3	1.3414	2.1127		2.2449	1.4544	3.1561	1.0932	3.3168	2.2817
C4	2.3395	1.4544	2.2449		1.3841	2.2741	3.3037	1.0896	2.2324
C5	2.3395	2.2449	1.4544	1.3841		3.3037	2.2741	2.2324	1.0896
H6	2.1186	1.0932	3.1561	2.2741	3.3037		4.1494	2.7488	4.3517
H7	2.1186	3.1561	1.0932	3.3037	2.2741	4.1494		4.3517	2.7488
H8	3.3775	2.2817	3.3168	1.0896	2.2324	2.7488	4.3517		2.7430
H9	3.3775	3.3168	2.2817	2.2324	1.0896	4.3517	2.7488	2.7430

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	113.543	N1	C2	H6	120.630
N1	C3	C5	113.543	N1	C3	H7	120.630
C2	N1	C3	103.903	C2	C4	C5	104.505
C2	C4	H8	126.917	C3	C5	C4	104.505
C3	C5	H9	126.917	C4	C2	H6	125.827
C4	C5	H9	128.578	C5	C3	H7	125.827
C5	C4	H8	128.578

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

using model chemistry: MP2=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: MP2=FULL/cc-pVDZ

States and conformations

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