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	hartrees
Energy at 0K	-208.900821
Energy at 298.15K	-208.905528
HF Energy	-208.211674
Nuclear repulsion energy	151.121363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3339	3146	1.20
2	A₁	3303	3112	0.69
3	A₁	1629	1535	9.21
4	A₁	1509	1422	29.98
5	A₁	1260	1187	7.70
6	A₁	1131	1066	37.50
7	A₁	1085	1022	0.31
8	A₁	903	851	8.62
9	A₂	862	812	0.00
10	A₂	849	800	0.00
11	A₂	492	463	0.00
12	B₁	849	800	0.52
13	B₁	712	671	82.37
14	B₁	565	532	23.22
15	B₂	7780	7331	630612.80
16	B₂	3314	3123	75.50
17	B₂	3295	3105	84.41
18	B₂	1358	1279	48.21
19	B₂	1327	1250	93.28
20	B₂	1046	986	1.77
21	B₂	900	848	0.51

Atom	y (Å)	z (Å)
N1	0.000	1.244
C2	1.061	0.425
C3	-1.061	0.425
C4	0.683	-0.983
C5	-0.683	-0.983
H6	2.067	0.819
H7	-2.067	0.819
H8	1.356	-1.824
H9	-1.356	-1.824

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3404	1.3404	2.3285	2.3285	2.1099	2.1099	3.3540	3.3540
C2	1.3404		2.1221	1.4570	2.2407	1.0803	3.1526	2.2678	3.3015
C3	1.3404	2.1221		2.2407	1.4570	3.1526	1.0803	3.3015	2.2678
C4	2.3285	1.4570	2.2407		1.3657	2.2717	3.2872	1.0778	2.2060
C5	2.3285	2.2407	1.4570	1.3657		3.2872	2.2717	2.2060	1.0778
H6	2.1099	1.0803	3.1526	2.2717	3.2872		4.1335	2.7367	4.3247
H7	2.1099	3.1526	1.0803	3.2872	2.2717	4.1335		4.3247	2.7367
H8	3.3540	2.2678	3.3015	1.0778	2.2060	2.7367	4.3247		2.7129
H9	3.3540	3.3015	2.2678	2.2060	1.0778	4.3247	2.7367	2.7129

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.622	N1	C2	H6	120.916
N1	C3	C5	112.622	N1	C3	H7	120.916
C2	N1	C3	104.667	C2	C4	C5	105.045
C2	C4	H8	126.275	C3	C5	C4	105.045
C3	C5	H9	126.275	C4	C2	H6	126.462
C4	C5	H9	128.680	C5	C3	H7	126.462
C5	C4	H8	128.680

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

using model chemistry: CCD/6-31+G**

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/6-31+G**

States and conformations

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