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	hartrees
Energy at 0K	-209.066976
Energy at 298.15K	-209.071073
HF Energy	-208.259776
Nuclear repulsion energy	151.067246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3299	3125	1.42
2	A₁	3259	3088	1.39
3	A₁	1597	1513	0.81
4	A₁	1479	1401	20.41
5	A₁	1222	1158	3.10
6	A₁	1114	1055	31.96
7	A₁	1058	1003	1.06
8	A₁	895	848	7.89
9	A₂	786	745	0.00
10	A₂	581	551	0.00
11	A₂	185	175	0.00
12	B₁	727	688	4.83
13	B₁	672	637	71.02
14	B₁	533	505	17.68
15	B₂	3278	3106	1.39
16	B₂	3255	3084	8.49
17	B₂	1500	1421	22.11
18	B₂	1327	1257	3.46
19	B₂	1164	1103	128.07
20	B₂	1031	977	1.83
21	B₂	835	791	6.01

Atom	y (Å)	z (Å)
N1	0.000	1.246
C2	1.063	0.425
C3	-1.063	0.425
C4	0.678	-0.984
C5	-0.678	-0.984
H6	2.069	0.819
H7	-2.069	0.819
H8	1.351	-1.826
H9	-1.351	-1.826

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3426	1.3426	2.3311	2.3311	2.1125	2.1125	3.3558	3.3558
C2	1.3426		2.1253	1.4615	2.2397	1.0802	3.1560	2.2698	3.3005
C3	1.3426	2.1253		2.2397	1.4615	3.1560	1.0802	3.3005	2.2698
C4	2.3311	1.4615	2.2397		1.3553	2.2773	3.2853	1.0776	2.1960
C5	2.3311	2.2397	1.4615	1.3553		3.2853	2.2773	2.1960	1.0776
H6	2.1125	1.0802	3.1560	2.2773	3.2853		4.1376	2.7404	4.3228
H7	2.1125	3.1560	1.0802	3.2853	2.2773	4.1376		4.3228	2.7404
H8	3.3558	2.2698	3.3005	1.0776	2.1960	2.7404	4.3228		2.7013
H9	3.3558	3.3005	2.2698	2.1960	1.0776	4.3228	2.7404	2.7013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.401	N1	C2	H6	120.985
N1	C3	C5	112.401	N1	C3	H7	120.985
C2	N1	C3	104.651	C2	C4	C5	105.274
C2	C4	H8	126.079	C3	C5	C4	105.274
C3	C5	H9	126.079	C4	C2	H6	126.614
C4	C5	H9	128.647	C5	C3	H7	126.614
C5	C4	H8	128.647

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

using model chemistry: CCSD=FULL/TZVP

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=FULL/TZVP

States and conformations

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