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	hartrees
Energy at 0K	-208.837761
Energy at 298.15K	-208.842289
HF Energy	-208.181593
Nuclear repulsion energy	150.575833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3312	3312
2	A₁	3273	3273
3	A₁	1595	1595
4	A₁	1490	1490
5	A₁	1218	1218
6	A₁	1121	1121
7	A₁	1079	1079
8	A₁	879	879
9	A₂	844	844
10	A₂	779	779
11	A₂	480	480
12	B₁	782	782
13	B₁	703	703
14	B₁	541	541
15	B₂	3292	3292
16	B₂	3271	3271
17	B₂	1421	1421
18	B₂	1342	1342
19	B₂	1289	1289
20	B₂	974	974
21	B₂	772	772

Atom	y (Å)	z (Å)
N1	0.000	1.254
C2	1.065	0.423
C3	-1.065	0.423
C4	0.682	-0.985
C5	-0.682	-0.985
H6	2.076	0.817
H7	-2.076	0.817
H8	1.354	-1.833
H9	-1.354	-1.833

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3510	1.3510	2.3401	2.3401	2.1218	2.1218	3.3709	3.3709
C2	1.3510		2.1306	1.4591	2.2435	1.0854	3.1665	2.2744	3.3083
C3	1.3510	2.1306		2.2435	1.4591	3.1665	1.0854	3.3083	2.2744
C4	2.3401	1.4591	2.2435		1.3631	2.2791	3.2947	1.0827	2.2056
C5	2.3401	2.2435	1.4591	1.3631		3.2947	2.2791	2.2056	1.0827
H6	2.1218	1.0854	3.1665	2.2791	3.2947		4.1529	2.7471	4.3355
H7	2.1218	3.1665	1.0854	3.2947	2.2791	4.1529		4.3355	2.7471
H8	3.3709	2.2744	3.3083	1.0827	2.2056	2.7471	4.3355		2.7089
H9	3.3709	3.3083	2.2744	2.2056	1.0827	4.3355	2.7471	2.7089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.702	N1	C2	H6	120.729
N1	C3	C5	112.702	N1	C3	H7	120.729
C2	N1	C3	104.098	C2	C4	C5	105.249
C2	C4	H8	126.323	C3	C5	C4	105.249
C3	C5	H9	126.323	C4	C2	H6	126.569
C4	C5	H9	128.429	C5	C3	H7	126.569
C5	C4	H8	128.429

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

using model chemistry: ROMP2/6-31G*

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: ROMP2/6-31G*

States and conformations

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