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	hartrees
Energy at 0K	-208.966098
Energy at 298.15K
HF Energy	-208.259804
Nuclear repulsion energy	151.622682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3329	3113	0.84
2	A₁	3288	3075	0.57
3	A₁	1618	1513	9.60
4	A₁	1493	1396	27.19
5	A₁	1264	1182	8.22
6	A₁	1126	1053	39.72
7	A₁	1077	1007	0.34
8	A₁	912	853	8.84
9	A₂	794	743	0.00
10	A₂	615	575	0.00
11	A₂	61i	57i	0.00
12	B₁	784	733	6.04
13	B₁	664	621	68.82
14	B₁	553	517	22.59
15	B₂	7201	6735	438558.80
16	B₂	3304	3090	60.53
17	B₂	3280	3067	93.67
18	B₂	1347	1259	47.96
19	B₂	1325	1239	90.85
20	B₂	1037	970	2.53
21	B₂	903	845	2.70

Atom	y (Å)	z (Å)
N1	0.000	1.239
C2	1.056	0.424
C3	-1.056	0.424
C4	0.680	-0.980
C5	-0.680	-0.980
H6	2.061	0.818
H7	-2.061	0.818
H8	1.354	-1.820
H9	-1.354	-1.820

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3336	1.3336	2.3217	2.3217	2.1035	2.1035	3.3452	3.3452
C2	1.3336		2.1113	1.4542	2.2332	1.0793	3.1412	2.2637	3.2928
C3	1.3336	2.1113		2.2332	1.4542	3.1412	1.0793	3.2928	2.2637
C4	2.3217	1.4542	2.2332		1.3604	2.2670	3.2782	1.0762	2.2006
C5	2.3217	2.2332	1.4542	1.3604		3.2782	2.2670	2.2006	1.0762
H6	2.1035	1.0793	3.1412	2.2670	3.2782		4.1216	2.7303	4.3147
H7	2.1035	3.1412	1.0793	3.2782	2.2670	4.1216		4.3147	2.7303
H8	3.3452	2.2637	3.2928	1.0762	2.2006	2.7303	4.3147		2.7083
H9	3.3452	3.2928	2.2637	2.2006	1.0762	4.3147	2.7303	2.7083

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.702	N1	C2	H6	120.969
N1	C3	C5	112.702	N1	C3	H7	120.969
C2	N1	C3	104.671	C2	C4	C5	104.963
C2	C4	H8	126.265	C3	C5	C4	104.963
C3	C5	H9	126.265	C4	C2	H6	126.330
C4	C5	H9	128.772	C5	C3	H7	126.330
C5	C4	H8	128.772

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

using model chemistry: MP3/TZVP

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: MP3/TZVP

States and conformations

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