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	hartrees
Energy at 0K	-191.519520
Energy at 298.15K	-191.524373
HF Energy	-191.114683
Nuclear repulsion energy	147.550709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3300	3150	0.29
2	A₁	3283	3134	5.74
3	A₁	3258	3110	1.09
4	A₁	1544	1474	0.03
5	A₁	1427	1362	1.41
6	A₁	1179	1126	0.42
7	A₁	1115	1064	13.68
8	A₁	1014	968	6.75
9	A₁	895	854	0.20
10	A₂	850	811	0.00
11	A₂	811	774	0.00
12	A₂	539	514	0.00
13	B₁	893	852	11.75
14	B₁	725	692	19.53
15	B₁	677	646	106.85
16	B₁	525	501	13.32
17	B₂	3710	3541	9874.47
18	B₂	3259	3111	190.82
19	B₂	3254	3106	96.21
20	B₂	1401	1337	72.05
21	B₂	1349	1288	4.04
22	B₂	1210	1155	12.33
23	B₂	945	902	0.85
24	B₂	865	826	8.70

Atom	y (Å)	z (Å)
C1	0.000	1.228
C2	1.134	0.404
C3	0.688	-1.019
C4	-0.688	-1.019
C5	-1.134	0.404
H6	0.000	2.308
H7	2.166	0.729
H8	1.345	-1.877
H9	-1.345	-1.877
H10	-2.166	0.729

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.4017	2.3495	2.3495	1.4017	1.0797	2.2227	3.3838	3.3838	2.2227
C2	1.4017		1.4905	2.3111	2.2675	2.2160	1.0822	2.2904	3.3684	3.3157
C3	2.3495	1.4905		1.3759	2.3111	3.3967	2.2887	1.0811	2.2069	3.3464
C4	2.3495	2.3111	1.3759		1.4905	3.3967	3.3464	2.2069	1.0811	2.2887
C5	1.4017	2.2675	2.3111	1.4905		2.2160	3.3157	3.3684	2.2904	1.0822
H6	1.0797	2.2160	3.3967	3.3967	2.2160		2.6803	4.3955	4.3955	2.6803
H7	2.2227	1.0822	2.2887	3.3464	3.3157	2.6803		2.7321	4.3725	4.3319
H8	3.3838	2.2904	1.0811	2.2069	3.3684	4.3955	2.7321		2.6904	4.3725
H9	3.3838	3.3684	2.2069	1.0811	2.2904	4.3955	4.3725	2.6904		2.7321
H10	2.2227	3.3157	3.3464	2.2887	1.0822	2.6803	4.3319	4.3725	2.7321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.614	C1	C2	H7	126.490
C1	C5	C4	108.614	C1	C5	H10	126.490
C2	C1	C5	107.963	C2	C1	H6	126.019
C2	C3	C4	107.404	C2	C3	H8	125.153
C3	C2	H7	124.896	C3	C4	C5	107.404
C3	C4	H9	127.443	C4	C3	H8	127.443
C4	C5	H10	124.896	C5	C1	H6	126.019
C5	C4	H9	125.153

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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