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	hartrees
Energy at 0K	-192.731612
Energy at 298.15K	-192.736552
HF Energy	-192.192419
Nuclear repulsion energy	149.445137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3373	3115	0.14
2	A₁	3362	3106	11.40
3	A₁	3335	3080	1.17
4	A₁	1698	1568	0.07
5	A₁	1555	1436	1.03
6	A₁	1209	1117	0.00
7	A₁	1147	1059	10.73
8	A₁	1091	1008	5.58
9	A₁	881	813	0.29
10	A₂	937	865	0.00
11	A₂	842	778	0.00
12	A₂	546	504	0.00
13	B₁	906	837	9.12
14	B₁	759	701	0.35
15	B₁	720	665	102.61
16	B₁	517	477	9.94
17	B₂	8703	8039	325396.10
18	B₂	3342	3087	85.52
19	B₂	3334	3079	36.95
20	B₂	1459	1347	69.51
21	B₂	1370	1265	0.27
22	B₂	1222	1129	15.53
23	B₂	1005	928	0.04
24	B₂	894	826	22.07

Atom	y (Å)	z (Å)
C1	0.000	1.218
C2	1.118	0.393
C3	0.674	-1.002
C4	-0.674	-1.002
C5	-1.118	0.393
H6	0.000	2.295
H7	2.149	0.714
H8	1.328	-1.859
H9	-1.328	-1.859
H10	-2.149	0.714

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.3895	2.3202	2.3202	1.3895	1.0767	2.2069	3.3514	3.3514	2.2069
C2	1.3895		1.4640	2.2713	2.2362	2.2060	1.0792	2.2618	3.3250	3.2823
C3	2.3202	1.4640		1.3484	2.2713	3.3650	2.2622	1.0779	2.1780	3.3033
C4	2.3202	2.2713	1.3484		1.4640	3.3650	3.3033	2.1780	1.0779	2.2622
C5	1.3895	2.2362	2.2713	1.4640		2.2060	3.2823	3.3250	2.2618	1.0792
H6	1.0767	2.2060	3.3650	3.3650	2.2060		2.6676	4.3609	4.3609	2.6676
H7	2.2069	1.0792	2.2622	3.3033	3.2823	2.6676		2.7003	4.3250	4.2971
H8	3.3514	2.2618	1.0779	2.1780	3.3250	4.3609	2.7003		2.6563	4.3250
H9	3.3514	3.3250	2.1780	1.0779	2.2618	4.3609	4.3250	2.6563		2.7003
H10	2.2069	3.2823	3.3033	2.2622	1.0792	2.6676	4.2971	4.3250	2.7003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.771	C1	C2	H7	126.296
C1	C5	C4	108.771	C1	C5	H10	126.296
C2	C1	C5	107.159	C2	C1	H6	126.421
C2	C3	C4	107.649	C2	C3	H8	125.002
C3	C2	H7	124.933	C3	C4	C5	107.649
C3	C4	H9	127.348	C4	C3	H8	127.348
C4	C5	H10	124.933	C5	C1	H6	126.421
C5	C4	H9	125.002

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

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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