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	hartrees
Energy at 0K	-207.437477
Energy at 298.15K	-207.442185
HF Energy	-207.013585
Nuclear repulsion energy	149.228667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3306	3145	0.01
2	A₁	3279	3120	3.58
3	A₁	1527	1453	0.22
4	A₁	1371	1304	9.34
5	A₁	1234	1174	4.69
6	A₁	1110	1056	26.78
7	A₁	1024	974	22.38
8	A₁	919	874	12.12
9	A₂	866	823	0.00
10	A₂	851	809	0.00
11	A₂	528	502	0.00
12	B₁	873	830	0.69
13	B₁	713	678	90.04
14	B₁	587	558	24.82
15	B₂	7954	7567	457564.90
16	B₂	3278	3118	78.31
17	B₂	3269	3109	38.90
18	B₂	1338	1273	20.38
19	B₂	1299	1236	93.68
20	B₂	976	928	10.70
21	B₂	864	822	16.81

Atom	y (Å)	z (Å)
N1	0.000	1.257
C2	1.082	0.432
C3	-1.082	0.432
C4	0.691	-0.994
C5	-0.691	-0.994
H6	2.090	0.821
H7	-2.090	0.821
H8	1.359	-1.842
H9	-1.359	-1.842

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3607	1.3607	2.3547	2.3547	2.1345	2.1345	3.3840	3.3840
C2	1.3607		2.1638	1.4786	2.2750	1.0805	3.1954	2.2907	3.3360
C3	1.3607	2.1638		2.2750	1.4786	3.1954	1.0805	3.3360	2.2907
C4	2.3547	1.4786	2.2750		1.3815	2.2922	3.3208	1.0797	2.2184
C5	2.3547	2.2750	1.4786	1.3815		3.3208	2.2922	2.2184	1.0797
H6	2.1345	1.0805	3.1954	2.2922	3.3208		4.1793	2.7620	4.3577
H7	2.1345	3.1954	1.0805	3.3208	2.2922	4.1793		4.3577	2.7620
H8	3.3840	2.2907	3.3360	1.0797	2.2184	2.7620	4.3577		2.7184
H9	3.3840	3.3360	2.2907	2.2184	1.0797	4.3577	2.7620	2.7184

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.995	N1	C2	H6	121.517
N1	C3	C5	111.995	N1	C3	H7	121.517
C2	N1	C3	105.330	C2	C4	C5	105.340
C2	C4	H8	126.408	C3	C5	C4	105.340
C3	C5	H9	126.408	C4	C2	H6	126.489
C4	C5	H9	128.252	C5	C3	H7	126.489
C5	C4	H8	128.252

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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