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	hartrees
Energy at 0K	-192.870579
Energy at 298.15K	-192.875457
HF Energy	-192.207957
Nuclear repulsion energy	147.850318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3150	0.42
2	A₁	3280	3138	7.33
3	A₁	3252	3111	1.14
4	A₁	1607	1537	0.06
5	A₁	1504	1439	2.34
6	A₁	1166	1116	0.74
7	A₁	1094	1046	9.21
8	A₁	1048	1002	7.65
9	A₁	847	811	0.31
10	A₂	898	859	0.00
11	A₂	847	811	0.00
12	A₂	529	506	0.00
13	B₁	918	878	6.55
14	B₁	747	715	7.96
15	B₁	697	666	84.89
16	B₁	510	488	8.14
17	B₂	5385	5152	46140.75
18	B₂	3258	3117	75.52
19	B₂	3250	3109	23.50
20	B₂	1389	1329	87.96
21	B₂	1301	1244	1.94
22	B₂	1159	1109	17.62
23	B₂	957	916	0.25
24	B₂	856	819	6.79

Atom	y (Å)	z (Å)
C1	0.000	1.228
C2	1.128	0.397
C3	0.685	-1.012
C4	-0.685	-1.012
C5	-1.128	0.397
H6	0.000	2.319
H7	2.172	0.725
H8	1.347	-1.880
H9	-1.347	-1.880
H10	-2.172	0.725

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.4017	2.3428	2.3428	1.4017	1.0907	2.2293	3.3882	3.3882	2.2293
C2	1.4017		1.4772	2.2966	2.2569	2.2289	1.0938	2.2879	3.3639	3.3166
C3	2.3428	1.4772		1.3701	2.2966	3.4009	2.2868	1.0921	2.2101	3.3437
C4	2.3428	2.2966	1.3701		1.4772	3.4009	3.3437	2.2101	1.0921	2.2868
C5	1.4017	2.2569	2.2966	1.4772		2.2289	3.3166	3.3639	2.2879	1.0938
H6	1.0907	2.2289	3.4009	3.4009	2.2289		2.6938	4.4104	4.4104	2.6938
H7	2.2293	1.0938	2.2868	3.3437	3.3166	2.6938		2.7333	4.3789	4.3436
H8	3.3882	2.2879	1.0921	2.2101	3.3639	4.4104	2.7333		2.6945	4.3789
H9	3.3882	3.3639	2.2101	1.0921	2.2879	4.4104	4.3789	2.6945		2.7333
H10	2.2293	3.3166	3.3437	2.2868	1.0938	2.6938	4.3436	4.3789	2.7333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.913	C1	C2	H7	126.145
C1	C5	C4	108.913	C1	C5	H10	126.145
C2	C1	C5	107.237	C2	C1	H6	126.382
C2	C3	C4	107.468	C2	C3	H8	125.207
C3	C2	H7	124.942	C3	C4	C5	107.468
C3	C4	H9	127.325	C4	C3	H8	127.325
C4	C5	H10	124.942	C5	C1	H6	126.382
C5	C4	H9	125.207

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

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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