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	hartrees
Energy at 0K	-208.951659
Energy at 298.15K
HF Energy	-208.244564
Nuclear repulsion energy	150.919865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3307	3307
2	A₁	3268	3268
3	A₁	1570	1570
4	A₁	1464	1464
5	A₁	1212	1212
6	A₁	1106	1106
7	A₁	1062	1062
8	A₁	882	882
9	A₂	754	754
10	A₂	526	526
11	A₂	327i	327i
12	B₁	689	689
13	B₁	635	635
14	B₁	514	514
15	B₂	3287	3287
16	B₂	3266	3266
17	B₂	1401	1401
18	B₂	1325	1325
19	B₂	1271	1271
20	B₂	955	955
21	B₂	762	762

Atom	y (Å)	z (Å)
N1	0.000	1.249
C2	1.064	0.423
C3	-1.064	0.423
C4	0.680	-0.984
C5	-0.680	-0.984
H6	2.070	0.817
H7	-2.070	0.817
H8	1.350	-1.828
H9	-1.350	-1.828

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3466	1.3466	2.3338	2.3338	2.1148	2.1148	3.3605	3.3605
C2	1.3466		2.1275	1.4584	2.2405	1.0809	3.1587	2.2698	3.3012
C3	1.3466	2.1275		2.2405	1.4584	3.1587	1.0809	3.3012	2.2698
C4	2.3338	1.4584	2.2405		1.3599	2.2751	3.2874	1.0784	2.1990
C5	2.3338	2.2405	1.4584	1.3599		3.2874	2.2751	2.1990	1.0784
H6	2.1148	1.0809	3.1587	2.2751	3.2874		4.1405	2.7417	4.3243
H7	2.1148	3.1587	1.0809	3.2874	2.2751	4.1405		4.3243	2.7417
H8	3.3605	2.2698	3.3012	1.0784	2.1990	2.7417	4.3243		2.7008
H9	3.3605	3.3012	2.2698	2.1990	1.0784	4.3243	2.7417	2.7008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.558	N1	C2	H6	120.809
N1	C3	C5	112.558	N1	C3	H7	120.809
C2	N1	C3	104.366	C2	C4	C5	105.259
C2	C4	H8	126.299	C3	C5	C4	105.259
C3	C5	H9	126.299	C4	C2	H6	126.633
C4	C5	H9	128.442	C5	C3	H7	126.633
C5	C4	H8	128.442

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

using model chemistry: ROMP2/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: ROMP2/TZVP

States and conformations

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