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	hartrees
Energy at 0K	-208.971502
Energy at 298.15K	-208.976281
HF Energy	-208.216986
Nuclear repulsion energy	151.665282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3320	3136	0.05
2	A₁	3273	3092	0.08
3	A₁	1593	1505	13.57
4	A₁	1448	1368	27.22
5	A₁	1270	1199	10.63
6	A₁	1120	1058	38.41
7	A₁	1085	1025	6.14
8	A₁	891	842	13.55
9	A₂	946	894	0.00
10	A₂	871	823	0.00
11	A₂	519	490	0.00
12	B₁	925	874	0.03
13	B₁	736	695	48.31
14	B₁	574	542	26.01
15	B₂	27132	25626	0.00
16	B₂	3298	3115	32.48
17	B₂	3265	3084	67.44
18	B₂	1324	1250	115.92
19	B₂	1307	1234	17.90
20	B₂	1035	978	1.56
21	B₂	889	839	6.15

Atom	y (Å)	z (Å)
N1	0.000	1.242
C2	1.051	0.420
C3	-1.051	0.420
C4	0.687	-0.977
C5	-0.687	-0.977
H6	2.060	0.814
H7	-2.060	0.814
H8	1.360	-1.819
H9	-1.360	-1.819

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3346	1.3346	2.3228	2.3228	2.1041	2.1041	3.3500	3.3500
C2	1.3346		2.1029	1.4437	2.2302	1.0828	3.1364	2.2606	3.2911
C3	1.3346	2.1029		2.2302	1.4437	3.1364	1.0828	3.2911	2.2606
C4	2.3228	1.4437	2.2302		1.3741	2.2565	3.2792	1.0785	2.2139
C5	2.3228	2.2302	1.4437	1.3741		3.2792	2.2565	2.2139	1.0785
H6	2.1041	1.0828	3.1364	2.2565	3.2792		4.1202	2.7245	4.3165
H7	2.1041	3.1364	1.0828	3.2792	2.2565	4.1202		4.3165	2.7245
H8	3.3500	2.2606	3.2911	1.0785	2.2139	2.7245	4.3165		2.7206
H9	3.3500	3.2911	2.2606	2.2139	1.0785	4.3165	2.7245	2.7206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	113.397	N1	C2	H6	120.659
N1	C3	C5	113.397	N1	C3	H7	120.659
C2	N1	C3	103.965	C2	C4	C5	104.620
C2	C4	H8	126.751	C3	C5	C4	104.620
C3	C5	H9	126.751	C4	C2	H6	125.944
C4	C5	H9	128.628	C5	C3	H7	125.944
C5	C4	H8	128.628

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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