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	hartrees
Energy at 0K	-193.535555
Energy at 298.15K
HF Energy	-193.535555
Nuclear repulsion energy	149.081962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3242	3137	0.03
2	A₁	3235	3130	6.75
3	A₁	3203	3099	0.90
4	A₁	1568	1517	0.47
5	A₁	1444	1397	2.72
6	A₁	1144	1107	0.02
7	A₁	1082	1047	9.44
8	A₁	1033	999	12.02
9	A₁	849	821	0.23
10	A₂	918	888	0.00
11	A₂	827	800	0.00
12	A₂	526	509	0.00
13	B₁	897	868	6.83
14	B₁	729	706	1.49
15	B₁	683	661	111.50
16	B₁	490	474	9.86
17	B₂	3219	3115	13.50
18	B₂	3205	3100	6.36
19	B₂	1400	1354	36.43
20	B₂	1299	1257	0.00
21	B₂	1218	1178	1.59
22	B₂	968	936	0.33
23	B₂	919	890	3.38
24	B₂	10i	10i	7.36

Atom	y (Å)	z (Å)
C1	0.000	1.221
C2	1.121	0.393
C3	0.677	-1.004
C4	-0.677	-1.004
C5	-1.121	0.393
H6	0.000	2.298
H7	2.152	0.714
H8	1.330	-1.861
H9	-1.330	-1.861
H10	-2.152	0.714

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.3941	2.3254	2.3254	1.3941	1.0768	2.2109	3.3568	3.3568	2.2109
C2	1.3941		1.4651	2.2768	2.2426	2.2107	1.0797	2.2631	3.3300	3.2891
C3	2.3254	1.4651		1.3545	2.2768	3.3701	2.2639	1.0778	2.1830	3.3098
C4	2.3254	2.2768	1.3545		1.4651	3.3701	3.3098	2.1830	1.0778	2.2639
C5	1.3941	2.2426	2.2768	1.4651		2.2107	3.2891	3.3300	2.2631	1.0797
H6	1.0768	2.2107	3.3701	3.3701	2.2107		2.6720	4.3663	4.3663	2.6720
H7	2.2109	1.0797	2.2639	3.3098	3.2891	2.6720		2.7029	4.3310	4.3041
H8	3.3568	2.2631	1.0778	2.1830	3.3300	4.3663	2.7029		2.6608	4.3310
H9	3.3568	3.3300	2.1830	1.0778	2.2631	4.3663	4.3310	2.6608		2.7029
H10	2.2109	3.2891	3.3098	2.2639	1.0797	2.6720	4.3041	4.3310	2.7029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.815	C1	C2	H7	126.217
C1	C5	C4	108.815	C1	C5	H10	126.217
C2	C1	C5	107.083	C2	C1	H6	126.459
C2	C3	C4	107.644	C2	C3	H8	125.053
C3	C2	H7	124.969	C3	C4	C5	107.644
C3	C4	H9	127.303	C4	C3	H8	127.303
C4	C5	H10	124.969	C5	C1	H6	126.459
C5	C4	H9	125.053

All results from a given calculation for C₅H₅ (cyclopentadienyl radical)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

	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 C5H5 (cyclopentadienyl radical)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

All results from a given calculation for C₅H₅ (cyclopentadienyl radical)