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	hartrees
Energy at 0K	-208.923360
Energy at 298.15K	-208.928067
HF Energy	-208.236006
Nuclear repulsion energy	151.006923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3271	3124	1.70
2	A₁	3234	3089	1.41
3	A₁	1614	1542	5.34
4	A₁	1492	1425	27.58
5	A₁	1253	1196	5.32
6	A₁	1117	1067	40.84
7	A₁	1069	1021	0.01
8	A₁	901	860	10.92
9	A₂	858	820	0.00
10	A₂	853	815	0.00
11	A₂	503	480	0.00
12	B₁	857	818	0.10
13	B₁	712	680	77.83
14	B₁	567	541	24.68
15	B₂	8405	8027	746578.40
16	B₂	3245	3099	108.59
17	B₂	3226	3081	114.66
18	B₂	1330	1270	66.47
19	B₂	1301	1243	86.56
20	B₂	1031	985	0.11
21	B₂	893	853	0.95

Atom	y (Å)	z (Å)
N1	0.000	1.244
C2	1.058	0.427
C3	-1.058	0.427
C4	0.683	-0.985
C5	-0.683	-0.985
H6	2.069	0.826
H7	-2.069	0.826
H8	1.359	-1.831
H9	-1.359	-1.831

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3374	1.3374	2.3315	2.3315	2.1111	2.1111	3.3626	3.3626
C2	1.3374		2.1169	1.4610	2.2416	1.0865	3.1529	2.2780	3.3081
C3	1.3374	2.1169		2.2416	1.4610	3.1529	1.0865	3.3081	2.2780
C4	2.3315	1.4610	2.2416		1.3653	2.2805	3.2940	1.0834	2.2102
C5	2.3315	2.2416	1.4610	1.3653		3.2940	2.2805	2.2102	1.0834
H6	2.1111	1.0865	3.1529	2.2805	3.2940		4.1382	2.7501	4.3372
H7	2.1111	3.1529	1.0865	3.2940	2.2805	4.1382		4.3372	2.7501
H8	3.3626	2.2780	3.3081	1.0834	2.2102	2.7501	4.3372		2.7183
H9	3.3626	3.3081	2.2780	2.2102	1.0834	4.3372	2.7501	2.7183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.777	N1	C2	H6	120.785
N1	C3	C5	112.777	N1	C3	H7	120.785
C2	N1	C3	104.633	C2	C4	C5	104.906
C2	C4	H8	126.455	C3	C5	C4	104.906
C3	C5	H9	126.455	C4	C2	H6	126.437
C4	C5	H9	128.640	C5	C3	H7	126.437
C5	C4	H8	128.640

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

using model chemistry: CCD/6-311G*

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: CCD/6-311G*

States and conformations

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