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	hartrees
Energy at 0K	-208.498190
Energy at 298.15K	-208.502922
HF Energy	-208.100566
Nuclear repulsion energy	149.624503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3347	3138	0.56
2	A₁	3320	3114	5.30
3	A₁	1634	1532	0.15
4	A₁	1467	1376	12.20
5	A₁	1238	1161	0.42
6	A₁	1135	1064	32.31
7	A₁	1074	1007	7.01
8	A₁	924	867	10.86
9	A₂	902	846	0.00
10	A₂	812	761	0.00
11	A₂	521	489	0.00
12	B₁	822	771	1.71
13	B₁	734	688	88.68
14	B₁	572	536	22.85
15	B₂	9220	8646	909569.60
16	B₂	3316	3110	105.30
17	B₂	3309	3103	0.00
18	B₂	1374	1288	91.22
19	B₂	1321	1238	85.38
20	B₂	1039	975	2.78
21	B₂	909	853	21.79

Atom	y (Å)	z (Å)
N1	0.000	1.250
C2	1.084	0.430
C3	-1.084	0.430
C4	0.683	-0.991
C5	-0.683	-0.991
H6	2.089	0.827
H7	-2.089	0.827
H8	1.353	-1.837
H9	-1.353	-1.837

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3600	1.3600	2.3428	2.3428	2.1315	2.1315	3.3712	3.3712
C2	1.3600		2.1689	1.4761	2.2673	1.0800	3.1981	2.2830	3.3287
C3	1.3600	2.1689		2.2673	1.4761	3.1981	1.0800	3.3287	2.2830
C4	2.3428	1.4761	2.2673		1.3656	2.2978	3.3143	1.0798	2.2047
C5	2.3428	2.2673	1.4761	1.3656		3.3143	2.2978	2.2047	1.0798
H6	2.1315	1.0800	3.1981	2.2978	3.3143		4.1779	2.7638	4.3523
H7	2.1315	3.1981	1.0800	3.3143	2.2978	4.1779		4.3523	2.7638
H8	3.3712	2.2830	3.3287	1.0798	2.2047	2.7638	4.3523		2.7056
H9	3.3712	3.3287	2.2830	2.2047	1.0798	4.3523	2.7638	2.7056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.329	N1	C2	H6	121.326
N1	C3	C5	111.329	N1	C3	H7	121.326
C2	N1	C3	105.763	C2	C4	C5	105.789
C2	C4	H8	125.854	C3	C5	C4	105.789
C3	C5	H9	125.854	C4	C2	H6	127.345
C4	C5	H9	128.356	C5	C3	H7	127.345
C5	C4	H8	128.356

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

using model chemistry: CISD/6-31G

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: CISD/6-31G

States and conformations

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