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	hartrees
Energy at 0K	-209.358703
Energy at 298.15K	-209.363254
HF Energy	-209.107520
Nuclear repulsion energy	150.937092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3274	3274	3.08
2	A₁	3235	3235	2.43
3	A₁	1570	1570	1.07
4	A₁	1452	1452	23.42
5	A₁	1216	1216	3.89
6	A₁	1102	1102	41.75
7	A₁	1060	1060	0.18
8	A₁	886	886	11.35
9	A₂	877	877	0.00
10	A₂	824	824	0.00
11	A₂	494	494	0.00
12	B₁	830	830	0.11
13	B₁	708	708	72.50
14	B₁	546	546	23.56
15	B₂	3255	3255	10.30
16	B₂	3230	3230	19.34
17	B₂	1378	1378	39.57
18	B₂	1307	1307	0.07
19	B₂	1084	1084	14.18
20	B₂	959	959	0.63
21	B₂	718	718	0.09

Atom	y (Å)	z (Å)
N1	0.000	1.248
C2	1.062	0.424
C3	-1.062	0.424
C4	0.682	-0.984
C5	-0.682	-0.984
H6	2.069	0.821
H7	-2.069	0.821
H8	1.353	-1.830
H9	-1.353	-1.830

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3440	1.3440	2.3336	2.3336	2.1131	2.1131	3.3620	3.3620
C2	1.3440		2.1235	1.4583	2.2408	1.0829	3.1562	2.2725	3.3029
C3	1.3440	2.1235		2.2408	1.4583	3.1562	1.0829	3.3029	2.2725
C4	2.3336	1.4583	2.2408		1.3630	2.2766	3.2900	1.0799	2.2031
C5	2.3336	2.2408	1.4583	1.3630		3.2900	2.2766	2.2031	1.0799
H6	2.1131	1.0829	3.1562	2.2766	3.2900		4.1389	2.7458	4.3285
H7	2.1131	3.1562	1.0829	3.2900	2.2766	4.1389		4.3285	2.7458
H8	3.3620	2.2725	3.3029	1.0799	2.2031	2.7458	4.3285		2.7053
H9	3.3620	3.3029	2.2725	2.2031	1.0799	4.3285	2.7458	2.7053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.699	N1	C2	H6	120.696
N1	C3	C5	112.699	N1	C3	H7	120.696
C2	N1	C3	104.371	C2	C4	C5	105.115
C2	C4	H8	126.460	C3	C5	C4	105.115
C3	C5	H9	126.460	C4	C2	H6	126.605
C4	C5	H9	128.425	C5	C3	H7	126.605
C5	C4	H8	128.425

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-311G*

States and conformations

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