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	hartrees
Energy at 0K	-208.869340
Energy at 298.15K	-208.873940
HF Energy	-208.196692
Nuclear repulsion energy	150.475012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3284	3127	2.03
2	A₁	3245	3090	3.67
3	A₁	1610	1533	0.02
4	A₁	1492	1420	18.96
5	A₁	1220	1162	1.74
6	A₁	1118	1065	31.34
7	A₁	1069	1018	0.47
8	A₁	889	846	10.89
9	A₂	862	821	0.00
10	A₂	798	760	0.00
11	A₂	487	464	0.00
12	B₁	800	762	0.86
13	B₁	709	676	64.16
14	B₁	550	524	20.73
15	B₂	3267	3111	0.11
16	B₂	3241	3086	6.52
17	B₂	1787	1702	446.33
18	B₂	1325	1262	7.79
19	B₂	1233	1174	156.20
20	B₂	1044	994	0.02
21	B₂	840	800	4.81

Atom	y (Å)	z (Å)
N1	0.000	1.253
C2	1.066	0.425
C3	-1.066	0.425
C4	0.680	-0.987
C5	-0.680	-0.987
H6	2.079	0.821
H7	-2.079	0.821
H8	1.357	-1.835
H9	-1.357	-1.835

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3496	1.3496	2.3407	2.3407	2.1230	2.1230	3.3722	3.3722
C2	1.3496		2.1323	1.4638	2.2460	1.0871	3.1696	2.2783	3.3131
C3	1.3496	2.1323		2.2460	1.4638	3.1696	1.0871	3.3131	2.2783
C4	2.3407	1.4638	2.2460		1.3608	2.2855	3.2986	1.0844	2.2065
C5	2.3407	2.2460	1.4638	1.3608		3.2986	2.2855	2.2065	1.0844
H6	2.1230	1.0871	3.1696	2.2855	3.2986		4.1573	2.7519	4.3421
H7	2.1230	3.1696	1.0871	3.2986	2.2855	4.1573		4.3421	2.7519
H8	3.3722	2.2783	3.3131	1.0844	2.2065	2.7519	4.3421		2.7135
H9	3.3722	3.3131	2.2783	2.2065	1.0844	4.3421	2.7519	2.7135

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.541	N1	C2	H6	120.830
N1	C3	C5	112.541	N1	C3	H7	120.830
C2	N1	C3	104.362	C2	C4	C5	105.278
C2	C4	H8	126.134	C3	C5	C4	105.278
C3	C5	H9	126.134	C4	C2	H6	126.629
C4	C5	H9	128.588	C5	C3	H7	126.629
C5	C4	H8	128.588

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

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

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