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	hartrees
Energy at 0K	-207.437477
Energy at 298.15K	-207.442195
HF Energy	-207.013585
Nuclear repulsion energy	149.228667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3306	3156	0.01
2	A₁	3279	3130	3.58
3	A₁	1527	1458	0.22
4	A₁	1371	1308	9.34
5	A₁	1234	1178	4.69
6	A₁	1110	1060	26.78
7	A₁	1024	977	22.38
8	A₁	919	877	12.12
9	A₂	866	826	0.00
10	A₂	851	812	0.00
11	A₂	528	504	0.00
12	B₁	873	833	0.69
13	B₁	713	681	90.04
14	B₁	587	560	24.82
15	B₂	7954	7593	457564.90
16	B₂	3278	3129	78.31
17	B₂	3269	3120	38.90
18	B₂	1338	1277	20.38
19	B₂	1299	1240	93.68
20	B₂	976	931	10.70
21	B₂	864	825	16.81

Atom	y (Å)	z (Å)
N1	0.000	1.257
C2	1.082	0.432
C3	-1.082	0.432
C4	0.691	-0.994
C5	-0.691	-0.994
H6	2.090	0.821
H7	-2.090	0.821
H8	1.359	-1.842
H9	-1.359	-1.842

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3607	1.3607	2.3547	2.3547	2.1345	2.1345	3.3840	3.3840
C2	1.3607		2.1638	1.4786	2.2750	1.0805	3.1954	2.2907	3.3360
C3	1.3607	2.1638		2.2750	1.4786	3.1954	1.0805	3.3360	2.2907
C4	2.3547	1.4786	2.2750		1.3815	2.2922	3.3208	1.0797	2.2184
C5	2.3547	2.2750	1.4786	1.3815		3.3208	2.2922	2.2184	1.0797
H6	2.1345	1.0805	3.1954	2.2922	3.3208		4.1793	2.7620	4.3577
H7	2.1345	3.1954	1.0805	3.3208	2.2922	4.1793		4.3577	2.7620
H8	3.3840	2.2907	3.3360	1.0797	2.2184	2.7620	4.3577		2.7184
H9	3.3840	3.3360	2.2907	2.2184	1.0797	4.3577	2.7620	2.7184

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.995	N1	C2	H6	121.517
N1	C3	C5	111.995	N1	C3	H7	121.517
C2	N1	C3	105.330	C2	C4	C5	105.340
C2	C4	H8	126.408	C3	C5	C4	105.340
C3	C5	H9	126.408	C4	C2	H6	126.489
C4	C5	H9	128.252	C5	C3	H7	126.489
C5	C4	H8	128.252

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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