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	hartrees
Energy at 0K	-208.896436
Energy at 298.15K	-208.901138
HF Energy	-208.210921
Nuclear repulsion energy	151.443646

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3343	3140	0.52
2	A₁	3309	3108	0.04
3	A₁	1608	1510	22.92
4	A₁	1476	1387	30.73
5	A₁	1274	1196	16.28
6	A₁	1127	1058	44.02
7	A₁	1096	1029	2.72
8	A₁	898	843	9.17
9	A₂	885	831	0.00
10	A₂	827	777	0.00
11	A₂	482	453	0.00
12	B₁	882	828	1.32
13	B₁	706	663	79.00
14	B₁	563	528	30.31
15	B₂	18599	17468	0.00
16	B₂	3321	3119	66.53
17	B₂	3302	3101	65.77
18	B₂	1350	1268	104.44
19	B₂	1326	1245	50.22
20	B₂	1048	984	1.24
21	B₂	897	843	8.19

Atom	y (Å)	z (Å)
N1	0.000	1.242
C2	1.057	0.420
C3	-1.057	0.420
C4	0.688	-0.977
C5	-0.688	-0.977
H6	2.062	0.816
H7	-2.062	0.816
H8	1.359	-1.820
H9	-1.359	-1.820

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3384	1.3384	2.3234	2.3234	2.1051	2.1051	3.3500	3.3500
C2	1.3384		2.1132	1.4456	2.2353	1.0800	3.1432	2.2609	3.2945
C3	1.3384	2.1132		2.2353	1.4456	3.1432	1.0800	3.2945	2.2609
C4	2.3234	1.4456	2.2353		1.3755	2.2590	3.2824	1.0773	2.2132
C5	2.3234	2.2353	1.4456	1.3755		3.2824	2.2590	2.2132	1.0773
H6	2.1051	1.0800	3.1432	2.2590	3.2824		4.1231	2.7282	4.3182
H7	2.1051	3.1432	1.0800	3.2824	2.2590	4.1231		4.3182	2.7282
H8	3.3500	2.2609	3.2945	1.0773	2.2132	2.7282	4.3182		2.7173
H9	3.3500	3.2945	2.2609	2.2132	1.0773	4.3182	2.7282	2.7173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	113.081	N1	C2	H6	120.655
N1	C3	C5	113.081	N1	C3	H7	120.655
C2	N1	C3	104.272	C2	C4	C5	104.783
C2	C4	H8	126.699	C3	C5	C4	104.783
C3	C5	H9	126.699	C4	C2	H6	126.264
C4	C5	H9	128.518	C5	C3	H7	126.264
C5	C4	H8	128.518

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31+G**

States and conformations

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