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	hartrees
Energy at 0K	-208.918360
Energy at 298.15K	-208.923016
HF Energy	-208.196137
Nuclear repulsion energy	150.278040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3268	3172
2	A₁	3226	3131
3	A₁	1747	1696
4	A₁	1552	1506
5	A₁	1251	1214
6	A₁	1182	1147
7	A₁	1104	1071
8	A₁	875	849
9	A₂	843	818
10	A₂	795	772
11	A₂	482	468
12	B₁	796	772
13	B₁	700	679
14	B₁	549	532
15	B₂	3257	3162
16	B₂	3223	3129
17	B₂	1803	1750
18	B₂	1407	1366
19	B₂	1269	1232
20	B₂	1136	1103
21	B₂	993	964

Atom	y (Å)	z (Å)
N1	0.000	1.255
C2	1.067	0.425
C3	-1.067	0.425
C4	0.683	-0.988
C5	-0.683	-0.988
H6	2.081	0.821
H7	-2.081	0.821
H8	1.360	-1.837
H9	-1.360	-1.837

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3518	1.3518	2.3445	2.3445	2.1254	2.1254	3.3778	3.3778
C2	1.3518		2.1333	1.4636	2.2485	1.0886	3.1721	2.2804	3.3170
C3	1.3518	2.1333		2.2485	1.4636	3.1721	1.0886	3.3170	2.2804
C4	2.3445	1.4636	2.2485		1.3659	2.2857	3.3028	1.0859	2.2123
C5	2.3445	2.2485	1.4636	1.3659		3.3028	2.2857	2.2123	1.0859
H6	2.1254	1.0886	3.1721	2.2857	3.3028		4.1612	2.7536	4.3475
H7	2.1254	3.1721	1.0886	3.3028	2.2857	4.1612		4.3475	2.7536
H8	3.3778	2.2804	3.3170	1.0859	2.2123	2.7536	4.3475		2.7200
H9	3.3778	3.3170	2.2804	2.2123	1.0859	4.3475	2.7536	2.7200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.705	N1	C2	H6	120.756
N1	C3	C5	112.705	N1	C3	H7	120.756
C2	N1	C3	104.195	C2	C4	C5	105.198
C2	C4	H8	126.231	C3	C5	C4	105.198
C3	C5	H9	126.231	C4	C2	H6	126.539
C4	C5	H9	128.571	C5	C3	H7	126.539
C5	C4	H8	128.571

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/6-31G*

States and conformations

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