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	hartrees
Energy at 0K	-209.020110
Energy at 298.15K	-209.024840
HF Energy	-208.242803
Nuclear repulsion energy	151.401279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3300	3131	0.52
2	A₁	3258	3091	0.30
3	A₁	1593	1511	18.47
4	A₁	1456	1381	28.08
5	A₁	1268	1203	10.46
6	A₁	1116	1058	39.21
7	A₁	1076	1021	5.57
8	A₁	892	846	11.26
9	A₂	894	848	0.00
10	A₂	848	804	0.00
11	A₂	494	469	0.00
12	B₁	900	854	0.12
13	B₁	714	678	63.62
14	B₁	565	536	29.82
15	B₂	23179	21987	0.00
16	B₂	3278	3109	50.94
17	B₂	3250	3083	77.01
18	B₂	1322	1254	116.04
19	B₂	1301	1234	29.48
20	B₂	1031	978	1.06
21	B₂	888	842	6.43

Atom	y (Å)	z (Å)
N1	0.000	1.243
C2	1.053	0.422
C3	-1.053	0.422
C4	0.688	-0.980
C5	-0.688	-0.980
H6	2.063	0.818
H7	-2.063	0.818
H8	1.361	-1.825
H9	-1.361	-1.825

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3350	1.3350	2.3264	2.3264	2.1061	2.1061	3.3562	3.3562
C2	1.3350		2.1061	1.4488	2.2352	1.0847	3.1410	2.2683	3.2984
C3	1.3350	2.1061		2.2352	1.4488	3.1410	1.0847	3.2984	2.2683
C4	2.3264	1.4488	2.2352		1.3755	2.2636	3.2862	1.0809	2.2167
C5	2.3264	2.2352	1.4488	1.3755		3.2862	2.2636	2.2167	1.0809
H6	2.1061	1.0847	3.1410	2.2636	3.2862		4.1257	2.7347	4.3258
H7	2.1061	3.1410	1.0847	3.2862	2.2636	4.1257		4.3258	2.7347
H8	3.3562	2.2683	3.2984	1.0809	2.2167	2.7347	4.3258		2.7228
H9	3.3562	3.2984	2.2683	2.2167	1.0809	4.3258	2.7347	2.7228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	113.320	N1	C2	H6	120.661
N1	C3	C5	113.320	N1	C3	H7	120.661
C2	N1	C3	104.152	C2	C4	C5	104.604
C2	C4	H8	126.841	C3	C5	C4	104.604
C3	C5	H9	126.841	C4	C2	H6	126.019
C4	C5	H9	128.554	C5	C3	H7	126.019
C5	C4	H8	128.554

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G**

States and conformations

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