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	hartrees
Energy at 0K	-208.953506
Energy at 298.15K	-208.958240
HF Energy	-208.243585
Nuclear repulsion energy	151.040192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3288	3140	1.28
2	A₁	3246	3101	1.24
3	A₁	1615	1542	6.79
4	A₁	1491	1424	27.61
5	A₁	1252	1196	4.90
6	A₁	1117	1067	36.35
7	A₁	1066	1018	0.00
8	A₁	897	857	10.67
9	A₂	880	841	0.00
10	A₂	865	826	0.00
11	A₂	502	479	0.00
12	B₁	868	829	0.00
13	B₁	722	689	67.23
14	B₁	567	542	23.10
15	B₂	8441	8062	758940.10
16	B₂	3263	3116	58.12
17	B₂	3238	3093	93.88
18	B₂	1330	1270	45.60
19	B₂	1304	1245	80.07
20	B₂	1030	983	2.67
21	B₂	891	851	0.00

Atom	y (Å)	z (Å)
N1	0.000	1.244
C2	1.058	0.427
C3	-1.058	0.427
C4	0.682	-0.985
C5	-0.682	-0.985
H6	2.069	0.823
H7	-2.069	0.823
H8	1.359	-1.829
H9	-1.359	-1.829

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3371	1.3371	2.3318	2.3318	2.1111	2.1111	3.3607	3.3607
C2	1.3371		2.1162	1.4613	2.2414	1.0852	3.1516	2.2761	3.3066
C3	1.3371	2.1162		2.2414	1.4613	3.1516	1.0852	3.3066	2.2761
C4	2.3318	1.4613	2.2414		1.3650	2.2781	3.2920	1.0818	2.2093
C5	2.3318	2.2414	1.4613	1.3650		3.2920	2.2781	2.2093	1.0818
H6	2.1111	1.0852	3.1516	2.2781	3.2920		4.1371	2.7450	4.3339
H7	2.1111	3.1516	1.0852	3.2920	2.2781	4.1371		4.3339	2.7450
H8	3.3607	2.2761	3.3066	1.0818	2.2093	2.7450	4.3339		2.7187
H9	3.3607	3.3066	2.2761	2.2093	1.0818	4.3339	2.7450	2.7187

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.794	N1	C2	H6	120.923
N1	C3	C5	112.794	N1	C3	H7	120.923
C2	N1	C3	104.622	C2	C4	C5	104.895
C2	C4	H8	126.373	C3	C5	C4	104.895
C3	C5	H9	126.373	C4	C2	H6	126.283
C4	C5	H9	128.732	C5	C3	H7	126.283
C5	C4	H8	128.732

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

using model chemistry: CCD/6-311G**

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: CCD/6-311G**

States and conformations

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