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	hartrees
Energy at 0K	-207.445862
Energy at 298.15K	-207.450582
HF Energy	-207.013620
Nuclear repulsion energy	149.249722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3307	3157	0.01
2	A₁	3280	3132	3.53
3	A₁	1527	1458	0.22
4	A₁	1371	1309	9.32
5	A₁	1234	1179	4.72
6	A₁	1110	1060	26.78
7	A₁	1024	978	22.38
8	A₁	919	878	12.14
9	A₂	867	828	0.00
10	A₂	852	813	0.00
11	A₂	528	504	0.00
12	B₁	874	834	0.68
13	B₁	714	682	90.02
14	B₁	587	561	24.81
15	B₂	8036	7673	476750.00
16	B₂	3278	3130	78.22
17	B₂	3269	3121	38.16
18	B₂	1338	1278	20.23
19	B₂	1299	1240	94.09
20	B₂	976	932	10.74
21	B₂	864	825	16.83

Atom	y (Å)	z (Å)
N1	0.000	1.256
C2	1.082	0.431
C3	-1.082	0.431
C4	0.691	-0.994
C5	-0.691	-0.994
H6	2.089	0.821
H7	-2.089	0.821
H8	1.359	-1.842
H9	-1.359	-1.842

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3605	1.3605	2.3543	2.3543	2.1342	2.1342	3.3835	3.3835
C2	1.3605		2.1635	1.4784	2.2747	1.0804	3.1950	2.2904	3.3356
C3	1.3605	2.1635		2.2747	1.4784	3.1950	1.0804	3.3356	2.2904
C4	2.3543	1.4784	2.2747		1.3813	2.2919	3.3204	1.0796	2.2180
C5	2.3543	2.2747	1.4784	1.3813		3.3204	2.2919	2.2180	1.0796
H6	2.1342	1.0804	3.1950	2.2919	3.3204		4.1788	2.7618	4.3572
H7	2.1342	3.1950	1.0804	3.3204	2.2919	4.1788		4.3572	2.7618
H8	3.3835	2.2904	3.3356	1.0796	2.2180	2.7618	4.3572		2.7179
H9	3.3835	3.3356	2.2904	2.2180	1.0796	4.3572	2.7618	2.7179

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.991	N1	C2	H6	121.513
N1	C3	C5	111.991	N1	C3	H7	121.513
C2	N1	C3	105.335	C2	C4	C5	105.342
C2	C4	H8	126.410	C3	C5	C4	105.342
C3	C5	H9	126.410	C4	C2	H6	126.496
C4	C5	H9	128.248	C5	C3	H7	126.496
C5	C4	H8	128.248

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

using model chemistry: MP2=FULL/3-21G

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: MP2=FULL/3-21G

States and conformations

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