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	hartrees
Energy at 0K	-208.897072
Energy at 298.15K	-208.901769
HF Energy	-208.235197
Nuclear repulsion energy	151.261974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3290	3127	0.87
2	A₁	3257	3095	0.45
3	A₁	1594	1515	16.67
4	A₁	1455	1383	27.90
5	A₁	1268	1205	12.41
6	A₁	1116	1060	43.85
7	A₁	1082	1028	4.43
8	A₁	895	851	11.69
9	A₂	884	840	0.00
10	A₂	817	776	0.00
11	A₂	494	469	0.00
12	B₁	887	843	0.55
13	B₁	703	668	72.79
14	B₁	563	535	32.24
15	B₂	27086	25740	0.00
16	B₂	3267	3105	72.45
17	B₂	3249	3087	78.01
18	B₂	1325	1259	119.32
19	B₂	1304	1239	34.45
20	B₂	1032	981	1.05
21	B₂	890	846	6.03

Atom	y (Å)	z (Å)
N1	0.000	1.262
C2	1.044	0.416
C3	-1.044	0.416
C4	0.691	-0.982
C5	-0.691	-0.982
H6	2.050	0.822
H7	-2.050	0.822
H8	1.352	-1.840
H9	-1.352	-1.840

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3433	1.3433	2.3481	2.3481	2.0962	2.0962	3.3832	3.3832
C2	1.3433		2.0872	1.4423	2.2278	1.0849	3.1198	2.2766	3.2903
C3	1.3433	2.0872		2.2278	1.4423	3.1198	1.0849	3.2903	2.2766
C4	2.3481	1.4423	2.2278		1.3812	2.2592	3.2811	1.0826	2.2150
C5	2.3481	2.2278	1.4423	1.3812		3.2811	2.2592	2.2150	1.0826
H6	2.0962	1.0849	3.1198	2.2592	3.2811		4.0992	2.7518	4.3191
H7	2.0962	3.1198	1.0849	3.2811	2.2592	4.0992		4.3191	2.7518
H8	3.3832	2.2766	3.2903	1.0826	2.2150	2.7518	4.3191		2.7036
H9	3.3832	3.2903	2.2766	2.2150	1.0826	4.3191	2.7518	2.7036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	114.856	N1	C2	H6	118.988
N1	C3	C5	114.856	N1	C3	H7	118.988
C2	N1	C3	101.954	C2	C4	C5	104.167
C2	C4	H8	128.188	C3	C5	C4	104.167
C3	C5	H9	128.188	C4	C2	H6	126.156
C4	C5	H9	127.645	C5	C3	H7	126.156
C5	C4	H8	127.645

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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