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	hartrees
Energy at 0K	-192.517293
Energy at 298.15K	-192.521997
HF Energy	-192.135143
Nuclear repulsion energy	146.184507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3282	3161	1.66
2	A₁	3260	3139	15.23
3	A₁	3232	3113	2.63
4	A₁	1524	1468	0.80
5	A₁	1440	1386	3.26
6	A₁	1155	1112	2.20
7	A₁	1102	1061	18.41
8	A₁	1042	1004	14.58
9	A₁	860	828	0.28
10	A₂	816	785	0.00
11	A₂	760	732	0.00
12	A₂	515	496	0.00
13	B₁	871	839	17.37
14	B₁	695	670	85.18
15	B₁	638	614	99.00
16	B₁	495	477	9.30
17	B₂	3253	3133	17.57
18	B₂	3224	3105	0.64
19	B₂	2839	2735	4140.41
20	B₂	1375	1325	81.18
21	B₂	1313	1264	1.91
22	B₂	1176	1133	15.58
23	B₂	945	910	0.71
24	B₂	852	820	7.05

Atom	y (Å)	z (Å)
C1	0.000	1.241
C2	1.145	0.404
C3	0.699	-1.025
C4	-0.699	-1.025
C5	-1.145	0.404
H6	0.000	2.328
H7	2.185	0.734
H8	1.359	-1.892
H9	-1.359	-1.892
H10	-2.185	0.734

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10
C1		1.4184	2.3712	2.3712	1.4184	1.0874	2.2429	3.4149	3.4149	2.2429
C2	1.4184		1.4968	2.3328	2.2903	2.2394	1.0908	2.3058	3.3972	3.3463
C3	2.3712	1.4968		1.3979	2.3328	3.4253	2.3024	1.0897	2.2330	3.3777
C4	2.3712	2.3328	1.3979		1.4968	3.4253	3.3777	2.2330	1.0897	2.3024
C5	1.4184	2.2903	2.3328	1.4968		2.2394	3.3463	3.3972	2.3058	1.0908
H6	1.0874	2.2394	3.4253	3.4253	2.2394		2.7048	4.4337	4.4337	2.7048
H7	2.2429	1.0908	2.3024	3.3777	3.3463	2.7048		2.7527	4.4105	4.3696
H8	3.4149	2.3058	1.0897	2.2330	3.3972	4.4337	2.7527		2.7177	4.4105
H9	3.4149	3.3972	2.2330	1.0897	2.3058	4.4337	4.4105	2.7177		2.7527
H10	2.2429	3.3463	3.3777	2.3024	1.0908	2.7048	4.3696	4.4105	2.7527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	108.820	C1	C2	H7	126.229
C1	C5	C4	108.820	C1	C5	H10	126.229
C2	C1	C5	107.671	C2	C1	H6	126.164
C2	C3	C4	107.344	C2	C3	H8	125.383
C3	C2	H7	124.951	C3	C4	C5	107.344
C3	C4	H9	127.273	C4	C3	H8	127.273
C4	C5	H10	124.951	C5	C1	H6	126.164
C5	C4	H9	125.383

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

Conformer 1 (D5H)

Conformer 2 (C2V)

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