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	hartrees
Energy at 0K	-208.900095
Energy at 298.15K	-208.904804
HF Energy	-208.211643
Nuclear repulsion energy	151.190894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3358	3124	0.87
2	A₁	3324	3093	0.57
3	A₁	1634	1520	10.95
4	A₁	1510	1405	30.19
5	A₁	1265	1177	8.39
6	A₁	1134	1055	40.01
7	A₁	1089	1013	0.19
8	A₁	906	843	8.76
9	A₂	865	805	0.00
10	A₂	844	785	0.00
11	A₂	490	456	0.00
12	B₁	854	794	0.76
13	B₁	710	661	82.94
14	B₁	565	526	24.71
15	B₂	8522	7930	915339.30
16	B₂	3334	3102	73.00
17	B₂	3316	3086	71.62
18	B₂	1360	1266	40.59
19	B₂	1330	1238	104.47
20	B₂	1048	975	3.37
21	B₂	902	839	0.09

Atom	y (Å)	z (Å)
N1	0.000	1.244
C2	1.060	0.424
C3	-1.060	0.424
C4	0.683	-0.982
C5	-0.683	-0.982
H6	2.064	0.817
H7	-2.064	0.817
H8	1.357	-1.822
H9	-1.357	-1.822

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3399	1.3399	2.3290	2.3290	2.1078	2.1078	3.3530	3.3530
C2	1.3399		2.1192	1.4559	2.2396	1.0788	3.1484	2.2657	3.2992
C3	1.3399	2.1192		2.2396	1.4559	3.1484	1.0788	3.2992	2.2657
C4	2.3290	1.4559	2.2396		1.3668	2.2684	3.2845	1.0765	2.2064
C5	2.3290	2.2396	1.4559	1.3668		3.2845	2.2684	2.2064	1.0765
H6	2.1078	1.0788	3.1484	2.2684	3.2845		4.1283	2.7325	4.3210
H7	2.1078	3.1484	1.0788	3.2845	2.2684	4.1283		4.3210	2.7325
H8	3.3530	2.2657	3.2992	1.0765	2.2064	2.7325	4.3210		2.7141
H9	3.3530	3.2992	2.2657	2.2064	1.0765	4.3210	2.7325	2.7141

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.763	N1	C2	H6	120.878
N1	C3	C5	112.763	N1	C3	H7	120.878
C2	N1	C3	104.523	C2	C4	C5	104.976
C2	C4	H8	126.282	C3	C5	C4	104.976
C3	C5	H9	126.282	C4	C2	H6	126.360
C4	C5	H9	128.742	C5	C3	H7	126.360
C5	C4	H8	128.742

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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