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	hartrees
Energy at 0K	-193.395590
Energy at 298.15K	-193.402905
HF Energy	-193.395590
Nuclear repulsion energy	162.851958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3279	3159	6.44
2	A₁	3225	3107	6.82
3	A₁	3067	2954	21.32
4	A₁	1539	1483	9.13
5	A₁	1494	1439	0.06
6	A₁	1284	1237	2.39
7	A₁	1125	1084	3.86
8	A₁	1045	1006	0.18
9	A₁	914	880	4.10
10	A₁	836	806	0.07
11	A₂	3083	2970	0.00
12	A₂	1272	1225	0.00
13	A₂	1007	970	0.00
14	A₂	631	608	0.00
15	A₂	127	122	0.00
16	B₁	3104	2990	29.29
17	B₁	1199	1155	1.15
18	B₁	977	941	6.93
19	B₁	818	788	0.93
20	B₁	613	591	81.01
21	B₁	434	418	10.49
22	B₂	3266	3146	5.06
23	B₂	3054	2942	25.13
24	B₂	1516	1460	2.29
25	B₂	1438	1385	10.37
26	B₂	1352	1302	1.41
27	B₂	1309	1261	10.99
28	B₂	1115	1074	0.48
29	B₂	915	881	13.79
30	B₂	750	723	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.270
C2	0.000	1.150	0.509
C3	0.000	-1.150	0.509
C4	0.000	0.778	-0.969
C5	0.000	-0.778	-0.969
H6	0.000	0.000	2.354
H7	0.000	2.208	0.729
H8	0.000	-2.208	0.729
H9	0.885	1.184	-1.478
H10	-0.885	1.184	-1.478
H11	0.885	-1.184	-1.478
H12	-0.885	-1.184	-1.478

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3787	1.3787	2.3698	2.3698	1.0843	2.2731	2.2731	3.1194	3.1194	3.1194	3.1194
C2	1.3787		2.2999	1.5239	2.4292	2.1739	1.0807	3.3650	2.1750	2.1750	3.1898	3.1898
C3	1.3787	2.2999		2.4292	1.5239	2.1739	3.3650	1.0807	3.1898	3.1898	2.1750	2.1750
C4	2.3698	1.5239	2.4292		1.5562	3.4126	2.2198	3.4351	1.0984	1.0984	2.2114	2.2114
C5	2.3698	2.4292	1.5239	1.5562		3.4126	3.4351	2.2198	2.2114	2.2114	1.0984	1.0984
H6	1.0843	2.1739	2.1739	3.4126	3.4126		2.7412	2.7412	4.1065	4.1065	4.1065	4.1065
H7	2.2731	1.0807	3.3650	2.2198	3.4351	2.7412		4.4158	2.5888	2.5888	4.1419	4.1419
H8	2.2731	3.3650	1.0807	3.4351	2.2198	2.7412	4.4158		4.1419	4.1419	2.5888	2.5888
H9	3.1194	2.1750	3.1898	1.0984	2.2114	4.1065	2.5888	4.1419		1.7700	2.3672	2.9557
H10	3.1194	2.1750	3.1898	1.0984	2.2114	4.1065	2.5888	4.1419	1.7700		2.9557	2.3672
H11	3.1194	3.1898	2.1750	2.2114	1.0984	4.1065	4.1419	2.5888	2.3672	2.9557		1.7700
H12	3.1194	3.1898	2.1750	2.2114	1.0984	4.1065	4.1419	2.5888	2.9557	2.3672	1.7700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.360	C1	C2	H7	134.758
C1	C3	C5	109.360	C1	C3	H8	134.758
C2	C1	C3	113.034	C2	C1	H6	123.483
C2	C4	C5	104.123	C2	C4	H9	111.042
C2	C4	H10	111.042	C3	C1	H6	123.483
C3	C5	C4	104.123	C3	C5	H11	111.042
C3	C5	H12	111.042	C4	C2	H7	115.882
C4	C5	H11	111.664	C4	C5	H12	111.664
C5	C3	H8	115.882	C5	C4	H9	111.664
C5	C4	H10	111.664	H9	C4	H10	107.365
H11	C5	H12	107.365

All results from a given calculation for C₅H₇ (cyclopentenyl radical)

using model chemistry: HSEh1PBE/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.221
2	C	-0.197
3	C	-0.197
4	C	-0.471
5	C	-0.471
6	H	0.212
7	H	0.214
8	H	0.214
9	H	0.229
10	H	0.229
11	H	0.229
12	H	0.229

<r²>	99.885
(<r²>)^1/2	9.994

All results from a given calculation for C5H7 (cyclopentenyl radical)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₅H₇ (cyclopentenyl radical)