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	hartrees
Energy at 0K	-209.091500
Energy at 298.15K	-209.096121
HF Energy	-208.267752
Nuclear repulsion energy	151.089782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3286	3139	1.20
2	A₁	3243	3099	1.34
3	A₁	1589	1518	0.46
4	A₁	1476	1410	20.49
5	A₁	1215	1161	1.92
6	A₁	1106	1057	32.07
7	A₁	1055	1008	0.45
8	A₁	887	848	11.33
9	A₂	928	887	0.00
10	A₂	840	802	0.00
11	A₂	505	483	0.00
12	B₁	847	809	0.67
13	B₁	728	696	67.56
14	B₁	554	529	18.72
15	B₂	3265	3119	2.39
16	B₂	3238	3094	11.13
17	B₂	1412	1349	20.05
18	B₂	1313	1254	0.07
19	B₂	1063	1016	7.42
20	B₂	991	947	4.08
21	B₂	710	679	0.74

Atom	y (Å)	z (Å)
N1	0.000	1.247
C2	1.062	0.425
C3	-1.062	0.425
C4	0.678	-0.984
C5	-0.678	-0.984
H6	2.068	0.817
H7	-2.068	0.817
H8	1.350	-1.826
H9	-1.350	-1.826

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3429	1.3429	2.3313	2.3313	2.1122	2.1122	3.3558	3.3558
C2	1.3429		2.1243	1.4600	2.2392	1.0797	3.1547	2.2691	3.2988
C3	1.3429	2.1243		2.2392	1.4600	3.1547	1.0797	3.2988	2.2691
C4	2.3313	1.4600	2.2392		1.3569	2.2746	3.2843	1.0768	2.1959
C5	2.3313	2.2392	1.4600	1.3569		3.2843	2.2746	2.1959	1.0768
H6	2.1122	1.0797	3.1547	2.2746	3.2843		4.1361	2.7389	4.3203
H7	2.1122	3.1547	1.0797	3.2843	2.2746	4.1361		4.3203	2.7389
H8	3.3558	2.2691	3.2988	1.0768	2.1959	2.7389	4.3203		2.6990
H9	3.3558	3.2988	2.2691	2.1959	1.0768	4.3203	2.7389	2.6990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.491	N1	C2	H6	120.976
N1	C3	C5	112.491	N1	C3	H7	120.976
C2	N1	C3	104.547	C2	C4	C5	105.236
C2	C4	H8	126.217	C3	C5	C4	105.236
C3	C5	H9	126.217	C4	C2	H6	126.533
C4	C5	H9	128.547	C5	C3	H7	126.533
C5	C4	H8	128.547

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

using model chemistry: QCISD/cc-pVTZ

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: QCISD/cc-pVTZ

States and conformations

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