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	hartrees
Energy at 0K	-30.838799
Energy at 298.15K	-30.843637
HF Energy	-30.280683
Nuclear repulsion energy	74.568704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3290	3123	0.66
2	A₁	3273	3107	5.50
3	A₁	3242	3078	1.77
4	A₁	1569	1490	1.32
5	A₁	1496	1420	5.59
6	A₁	1172	1113	2.92
7	A₁	1092	1037	11.45
8	A₁	1065	1012	17.70
9	A₁	830	788	0.37
10	A₂	866	822	0.00
11	A₂	854	811	0.00
12	A₂	527	500	0.00
13	B₁	919	872	12.85
14	B₁	764	725	60.66
15	B₁	708	672	124.71
16	B₁	514	488	14.64
17	B₂	3822	3629	13531.75
18	B₂	3246	3082	302.18
19	B₂	3238	3074	6.06
20	B₂	1378	1308	98.13
21	B₂	1288	1223	0.16
22	B₂	1154	1096	17.19
23	B₂	971	922	1.55
24	B₂	840	797	8.04

Atom	y (Å)	z (Å)
C1	0.000	1.239
C2	1.136	0.397
C3	0.698	-1.018
C4	-0.698	-1.018
C5	-1.136	0.397
H6	0.000	2.329
H7	2.179	0.727
H8	1.360	-1.887
H9	-1.360	-1.887
H10	-2.179	0.727

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.4141	2.3622	2.3622	1.4141	1.0901	2.2383	3.4086	3.4086	2.2383
C2	1.4141		1.4808	2.3165	2.2722	2.2414	1.0940	2.2946	3.3830	3.3315
C3	2.3622	1.4808		1.3966	2.3165	3.4188	2.2885	1.0921	2.2340	3.3651
C4	2.3622	2.3165	1.3966		1.4808	3.4188	3.3651	2.2340	1.0921	2.2885
C5	1.4141	2.2722	2.3165	1.4808		2.2414	3.3315	3.3830	2.2946	1.0940
H6	1.0901	2.2414	3.4188	3.4188	2.2414		2.7044	4.4296	4.4296	2.7044
H7	2.2383	1.0940	2.2885	3.3651	3.3315	2.7044		2.7393	4.3995	4.3580
H8	3.4086	2.2946	1.0921	2.2340	3.3830	4.4296	2.7393		2.7195	4.3995
H9	3.4086	3.3830	2.2340	1.0921	2.2946	4.4296	4.3995	2.7195		2.7393
H10	2.2383	3.3315	3.3651	2.2885	1.0940	2.7044	4.3580	4.3995	2.7393

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	109.347	C1	C2	H7	125.881
C1	C5	C4	109.347	C1	C5	H10	125.881
C2	C1	C5	106.912	C2	C1	H6	126.544
C2	C3	C4	107.197	C2	C3	H8	125.527
C3	C2	H7	124.771	C3	C4	C5	107.197
C3	C4	H9	127.276	C4	C3	H8	127.276
C4	C5	H10	124.771	C5	C1	H6	126.544
C5	C4	H9	125.527

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

using model chemistry: MP2/CEP-31G*

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: MP2/CEP-31G*

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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