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	hartrees
Energy at 0K	-208.818946
Energy at 298.15K	-208.823760
HF Energy	-208.237007
Nuclear repulsion energy	151.792873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3360	3122	1.76
2	A₁	3324	3089	1.84
3	A₁	1652	1535	2.29
4	A₁	1536	1427	28.75
5	A₁	1271	1181	4.36
6	A₁	1148	1066	39.88
7	A₁	1091	1014	0.18
8	A₁	922	856	11.94
9	A₂	931	865	0.00
10	A₂	880	817	0.00
11	A₂	528	490	0.00
12	B₁	880	818	0.34
13	B₁	752	699	81.33
14	B₁	580	539	24.23
15	B₂	3881	3605	26348.20
16	B₂	3327	3091	160.15
17	B₂	3305	3071	920.06
18	B₂	1378	1281	88.43
19	B₂	1337	1243	59.41
20	B₂	1064	988	0.09
21	B₂	919	854	1.22

Atom	y (Å)	z (Å)
N1	0.000	1.238
C2	1.055	0.425
C3	-1.055	0.425
C4	0.676	-0.980
C5	-0.676	-0.980
H6	2.059	0.820
H7	-2.059	0.820
H8	1.347	-1.822
H9	-1.347	-1.822

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3317	1.3317	2.3186	2.3186	2.1014	2.1014	3.3427	3.3427
C2	1.3317		2.1106	1.4556	2.2303	1.0788	3.1396	2.2657	3.2895
C3	1.3317	2.1106		2.2303	1.4556	3.1396	1.0788	3.2895	2.2657
C4	2.3186	1.4556	2.2303		1.3528	2.2698	3.2748	1.0761	2.1917
C5	2.3186	2.2303	1.4556	1.3528		3.2748	2.2698	2.1917	1.0761
H6	2.1014	1.0788	3.1396	2.2698	3.2748		4.1189	2.7354	4.3107
H7	2.1014	3.1396	1.0788	3.2748	2.2698	4.1189		4.3107	2.7354
H8	3.3427	2.2657	3.2895	1.0761	2.1917	2.7354	4.3107		2.6948
H9	3.3427	3.2895	2.2657	2.1917	1.0761	4.3107	2.7354	2.6948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.499	N1	C2	H6	120.973
N1	C3	C5	112.499	N1	C3	H7	120.973
C2	N1	C3	104.828	C2	C4	C5	105.087
C2	C4	H8	126.340	C3	C5	C4	105.087
C3	C5	H9	126.340	C4	C2	H6	126.528
C4	C5	H9	128.573	C5	C3	H7	126.528
C5	C4	H8	128.573

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

using model chemistry: CID/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: CID/6-311G*

States and conformations

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