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	hartrees
Energy at 0K	-208.906290
Energy at 298.15K	-208.910926
HF Energy	-208.213489
Nuclear repulsion energy	149.662366

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3285	3151	1.50
2	A₁	3242	3110	2.64
3	A₁	1591	1526	0.15
4	A₁	1479	1419	20.90
5	A₁	1206	1157	1.23
6	A₁	1097	1053	29.37
7	A₁	1044	1002	0.03
8	A₁	877	841	11.00
9	A₂	898	862	0.00
10	A₂	821	788	0.00
11	A₂	493	473	0.00
12	B₁	823	790	0.86
13	B₁	716	687	57.86
14	B₁	550	528	17.78
15	B₂	3266	3133	0.07
16	B₂	3238	3106	7.59
17	B₂	1675	1607	223.39
18	B₂	1297	1244	4.64
19	B₂	1190	1142	135.66
20	B₂	1026	984	0.42
21	B₂	812	779	3.06

Atom	y (Å)	z (Å)
N1	0.000	1.260
C2	1.069	0.429
C3	-1.069	0.429
C4	0.685	-0.994
C5	-0.685	-0.994
H6	2.089	0.827
H7	-2.089	0.827
H8	1.366	-1.847
H9	-1.366	-1.847

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3537	1.3537	2.3553	2.3553	2.1333	2.1333	3.3941	3.3941
C2	1.3537		2.1379	1.4737	2.2586	1.0947	3.1828	2.2958	3.3334
C3	1.3537	2.1379		2.2586	1.4737	3.1828	1.0947	3.3334	2.2958
C4	2.3553	1.4737	2.2586		1.3704	2.2988	3.3181	1.0919	2.2217
C5	2.3553	2.2586	1.4737	1.3704		3.3181	2.2988	2.2217	1.0919
H6	2.1333	1.0947	3.1828	2.2988	3.3181		4.1779	2.7701	4.3689
H7	2.1333	3.1828	1.0947	3.3181	2.2988	4.1779		4.3689	2.7701
H8	3.3941	2.2958	3.3334	1.0919	2.2217	2.7701	4.3689		2.7320
H9	3.3941	3.3334	2.2958	2.2217	1.0919	4.3689	2.7701	2.7320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.753	N1	C2	H6	120.859
N1	C3	C5	112.753	N1	C3	H7	120.859
C2	N1	C3	104.307	C2	C4	C5	105.094
C2	C4	H8	126.332	C3	C5	C4	105.094
C3	C5	H9	126.332	C4	C2	H6	126.388
C4	C5	H9	128.574	C5	C3	H7	126.388
C5	C4	H8	128.574

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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