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	hartrees
Energy at 0K	-209.128768
Energy at 298.15K	-209.123945
HF Energy	-208.198342
Nuclear repulsion energy	151.884132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3446	3246	3.08
2	A₁	3412	3214	6.77
3	A₁	1723	1623	0.22
4	A₁	1588	1496	22.98
5	A₁	1275	1201	0.29
6	A₁	1187	1119	28.78
7	A₁	1096	1033	1.40
8	A₁	944	889	13.15
9	A₂	1046	986	0.00
10	A₂	872	821	0.00
11	A₂	558	526	0.00
12	B₁	884	833	12.78
13	B₁	786	741	59.99
14	B₁	592	558	20.22
15	B₂	3423	3226	25.25
16	B₂	3406	3209	23.81
17	B₂	1465	1381	68.88
18	B₂	1405	1324	21.57
19	B₂	1117	1053	0.68
20	B₂	968	912	0.72
21	B₂	977i	920i	802.90

Atom	y (Å)	z (Å)
N1	0.000	1.243
C2	1.054	0.420
C3	-1.054	0.420
C4	0.686	-0.977
C5	-0.686	-0.977
H6	2.064	0.816
H7	-2.064	0.816
H8	1.360	-1.824
H9	-1.360	-1.824

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3372	1.3372	2.3239	2.3239	2.1082	2.1082	3.3549	3.3549
C2	1.3372		2.1077	1.4446	2.2316	1.0854	3.1433	2.2645	3.2957
C3	1.3372	2.1077		2.2316	1.4446	3.1433	1.0854	3.2957	2.2645
C4	2.3239	1.4446	2.2316		1.3727	2.2613	3.2835	1.0820	2.2146
C5	2.3239	2.2316	1.4446	1.3727		3.2835	2.2613	2.2146	1.0820
H6	2.1082	1.0854	3.1433	2.2613	3.2835		4.1290	2.7318	4.3237
H7	2.1082	3.1433	1.0854	3.2835	2.2613	4.1290		4.3237	2.7318
H8	3.3549	2.2645	3.2957	1.0820	2.2146	2.7318	4.3237		2.7202
H9	3.3549	3.2957	2.2645	2.2146	1.0820	4.3237	2.7318	2.7202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	113.766	N1	C2	H6	119.765
N1	C3	C5	113.766	N1	C3	H7	119.765
C2	N1	C3	102.602	C2	C4	C5	104.933
C2	C4	H8	127.499	C3	C5	C4	104.933
C3	C5	H9	127.499	C4	C2	H6	126.469
C4	C5	H9	127.568	C5	C3	H7	126.469
C5	C4	H8	127.568

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

using model chemistry: G2

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: G2

States and conformations

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