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	hartrees
Energy at 0K	-209.131947
Energy at 298.15K	-209.136608
HF Energy	-208.266941
Nuclear repulsion energy	150.665840

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3267	3184
2	A₁	3221	3140
3	A₁	1576	1537
4	A₁	1472	1435
5	A₁	1211	1180
6	A₁	1117	1089
7	A₁	1072	1045
8	A₁	876	854
9	A₂	894	872
10	A₂	837	816
11	A₂	498	485
12	B₁	836	815
13	B₁	720	702
14	B₁	547	533
15	B₂	3246	3164
16	B₂	3217	3136
17	B₂	1554	1515
18	B₂	1324	1291
19	B₂	1192	1162
20	B₂	1055	1028
21	B₂	801	781

Atom	y (Å)	z (Å)
N1	0.000	1.251
C2	1.064	0.425
C3	-1.064	0.425
C4	0.682	-0.986
C5	-0.682	-0.986
H6	2.072	0.818
H7	-2.072	0.818
H8	1.354	-1.830
H9	-1.354	-1.830

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3476	1.3476	2.3392	2.3392	2.1170	2.1170	3.3658	3.3658
C2	1.3476		2.1287	1.4618	2.2452	1.0817	3.1610	2.2734	3.3065
C3	1.3476	2.1287		2.2452	1.4618	3.1610	1.0817	3.3065	2.2734
C4	2.3392	1.4618	2.2452		1.3642	2.2774	3.2925	1.0787	2.2041
C5	2.3392	2.2452	1.4618	1.3642		3.2925	2.2774	2.2041	1.0787
H6	2.1170	1.0817	3.1610	2.2774	3.2925		4.1443	2.7436	4.3301
H7	2.1170	3.1610	1.0817	3.2925	2.2774	4.1443		4.3301	2.7436
H8	3.3658	2.2734	3.3065	1.0787	2.2041	2.7436	4.3301		2.7080
H9	3.3658	3.3065	2.2734	2.2041	1.0787	4.3301	2.7436	2.7080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.677	N1	C2	H6	120.861
N1	C3	C5	112.677	N1	C3	H7	120.861
C2	N1	C3	104.333	C2	C4	C5	105.157
C2	C4	H8	126.318	C3	C5	C4	105.157
C3	C5	H9	126.318	C4	C2	H6	126.463
C4	C5	H9	128.525	C5	C3	H7	126.463
C5	C4	H8	128.525

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

using model chemistry: CCSD(T)/cc-pVTZ

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: CCSD(T)/cc-pVTZ

States and conformations

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