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	hartrees
Energy at 0K	-208.966805
Energy at 298.15K	-208.971381
HF Energy	-208.243187
Nuclear repulsion energy	150.401883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3277	3127	1.99
2	A₁	3235	3086	2.20
3	A₁	1585	1513	0.33
4	A₁	1472	1404	20.82
5	A₁	1211	1155	2.04
6	A₁	1103	1052	30.17
7	A₁	1050	1002	0.25
8	A₁	881	841	9.96
9	A₂	879	838	0.00
10	A₂	799	763	0.00
11	A₂	481	459	0.00
12	B₁	813	775	0.76
13	B₁	711	678	67.90
14	B₁	546	521	19.38
15	B₂	3257	3108	1.49
16	B₂	3231	3082	11.21
17	B₂	1464	1397	0.60
18	B₂	1303	1243	0.87
19	B₂	1091	1041	59.98
20	B₂	1025	978	2.65
21	B₂	760	725	2.18

Atom	y (Å)	z (Å)
N1	0.000	1.253
C2	1.066	0.428
C3	-1.066	0.428
C4	0.681	-0.990
C5	-0.681	-0.990
H6	2.076	0.823
H7	-2.076	0.823
H8	1.357	-1.836
H9	-1.357	-1.836

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3474	1.3474	2.3434	2.3434	2.1203	2.1203	3.3728	3.3728
C2	1.3474		2.1311	1.4686	2.2495	1.0854	3.1667	2.2819	3.3149
C3	1.3474	2.1311		2.2495	1.4686	3.1667	1.0854	3.3149	2.2819
C4	2.3434	1.4686	2.2495		1.3623	2.2876	3.3001	1.0824	2.2063
C5	2.3434	2.2495	1.4686	1.3623		3.3001	2.2876	2.2063	1.0824
H6	2.1203	1.0854	3.1667	2.2876	3.3001		4.1528	2.7544	4.3421
H7	2.1203	3.1667	1.0854	3.3001	2.2876	4.1528		4.3421	2.7544
H8	3.3728	2.2819	3.3149	1.0824	2.2063	2.7544	4.3421		2.7131
H9	3.3728	3.3149	2.2819	2.2063	1.0824	4.3421	2.7544	2.7131

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.567	N1	C2	H6	120.894
N1	C3	C5	112.567	N1	C3	H7	120.894
C2	N1	C3	104.519	C2	C4	C5	105.173
C2	C4	H8	126.222	C3	C5	C4	105.173
C3	C5	H9	126.222	C4	C2	H6	126.538
C4	C5	H9	128.605	C5	C3	H7	126.538
C5	C4	H8	128.605

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

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

States and conformations

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