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	hartrees
Energy at 0K	-208.869341
Energy at 298.15K	-208.873900
HF Energy	-208.189272
Nuclear repulsion energy	150.693324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3344	3344
2	A₁	3303	3303
3	A₁	1600	1600
4	A₁	1495	1495
5	A₁	1219	1219
6	A₁	1122	1122
7	A₁	1079	1079
8	A₁	879	879
9	A₂	862	862
10	A₂	789	789
11	A₂	480	480
12	B₁	792	792
13	B₁	710	710
14	B₁	542	542
15	B₂	3324	3324
16	B₂	3301	3301
17	B₂	1424	1424
18	B₂	1347	1347
19	B₂	1292	1292
20	B₂	972	972
21	B₂	771	771

Atom	y (Å)	z (Å)
N1	0.000	1.254
C2	1.065	0.423
C3	-1.065	0.423
C4	0.681	-0.985
C5	-0.681	-0.985
H6	2.072	0.814
H7	-2.072	0.814
H8	1.351	-1.830
H9	-1.351	-1.830

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3505	1.3505	2.3402	2.3402	2.1183	2.1183	3.3664	3.3664
C2	1.3505		2.1292	1.4590	2.2428	1.0807	3.1610	2.2705	3.3029
C3	1.3505	2.1292		2.2428	1.4590	3.1610	1.0807	3.3029	2.2705
C4	2.3402	1.4590	2.2428		1.3627	2.2738	3.2890	1.0779	2.2010
C5	2.3402	2.2428	1.4590	1.3627		3.2890	2.2738	2.2010	1.0779
H6	2.1183	1.0807	3.1610	2.2738	3.2890		4.1441	2.7400	4.3251
H7	2.1183	3.1610	1.0807	3.2890	2.2738	4.1441		4.3251	2.7400
H8	3.3664	2.2705	3.3029	1.0779	2.2010	2.7400	4.3251		2.7023
H9	3.3664	3.3029	2.2705	2.2010	1.0779	4.3251	2.7400	2.7023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.746	N1	C2	H6	120.810
N1	C3	C5	112.746	N1	C3	H7	120.810
C2	N1	C3	104.050	C2	C4	C5	105.229
C2	C4	H8	126.356	C3	C5	C4	105.229
C3	C5	H9	126.356	C4	C2	H6	126.444
C4	C5	H9	128.415	C5	C3	H7	126.444
C5	C4	H8	128.415

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)