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	hartrees
Energy at 0K	-193.447208
Energy at 298.15K	-193.454631
HF Energy	-193.447208
Nuclear repulsion energy	163.477527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3358	3044	14.67
2	A₁	3329	3018	4.31
3	A₁	3167	2870	65.45
4	A₁	1622	1470	1.79
5	A₁	1567	1420	0.20
6	A₁	1404	1273	0.00
7	A₁	1150	1043	0.74
8	A₁	1080	979	0.44
9	A₁	957	868	0.07
10	A₁	857	777	0.00
11	A₂	3164	2868	0.00
12	A₂	1341	1216	0.00
13	A₂	1083	981	0.00
14	A₂	649	589	0.00
15	A₂	114	103	0.00
16	B₁	3190	2891	67.64
17	B₁	1235	1120	2.76
18	B₁	978	887	7.20
19	B₁	869	788	1.94
20	B₁	613	556	70.60
21	B₁	453	410	2.95
22	B₂	3344	3031	26.99
23	B₂	3150	2855	44.03
24	B₂	1597	1448	0.39
25	B₂	1499	1359	6.90
26	B₂	1423	1290	0.01
27	B₂	1416	1284	1.39
28	B₂	1128	1023	0.01
29	B₂	952	863	9.34
30	B₂	770	698	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.169
C2	0.000	1.303	0.567
C3	0.000	-1.303	0.567
C4	0.000	0.810	-1.007
C5	0.000	-0.810	-1.007
H6	0.000	0.000	2.589
H7	0.000	2.321	0.906
H8	0.000	-2.321	0.906
H9	0.887	1.148	-1.535
H10	-0.887	1.148	-1.535
H11	0.887	-1.148	-1.535
H12	-0.887	-1.148	-1.535

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.4351	1.4351	2.3220	2.3220	1.4194	2.3363	2.3363	3.0684	3.0684	3.0684	3.0684
C2	1.4351		2.6051	1.6493	2.6342	2.4050	1.0736	3.6397	2.2863	2.2863	3.3478	3.3478
C3	1.4351	2.6051		2.6342	1.6493	2.4050	3.6397	1.0736	3.3478	3.3478	2.2863	2.2863
C4	2.3220	1.6493	2.6342		1.6195	3.6857	2.4377	3.6690	1.0860	1.0860	2.2129	2.2129
C5	2.3220	2.6342	1.6493	1.6195		3.6857	3.6690	2.4377	2.2129	2.2129	1.0860	1.0860
H6	1.4194	2.4050	2.4050	3.6857	3.6857		2.8673	2.8673	4.3710	4.3710	4.3710	4.3710
H7	2.3363	1.0736	3.6397	2.4377	3.6690	2.8673		4.6427	2.8492	2.8492	4.3331	4.3331
H8	2.3363	3.6397	1.0736	3.6690	2.4377	2.8673	4.6427		4.3331	4.3331	2.8492	2.8492
H9	3.0684	2.2863	3.3478	1.0860	2.2129	4.3710	2.8492	4.3331		1.7740	2.2955	2.9011
H10	3.0684	2.2863	3.3478	1.0860	2.2129	4.3710	2.8492	4.3331	1.7740		2.9011	2.2955
H11	3.0684	3.3478	2.2863	2.2129	1.0860	4.3710	4.3331	2.8492	2.2955	2.9011		1.7740
H12	3.0684	3.3478	2.2863	2.2129	1.0860	4.3710	4.3331	2.8492	2.9011	2.2955	1.7740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	97.432	C1	C2	H7	136.802
C1	C3	C5	97.432	C1	C3	H8	136.802
C2	C1	C3	130.366	C2	C1	H6	114.817
C2	C4	C5	107.385	C2	C4	H9	111.757
C2	C4	H10	111.757	C3	C1	H6	114.817
C3	C5	C4	107.385	C3	C5	H11	111.757
C3	C5	H12	111.757	C4	C2	H7	125.766
C4	C5	H11	108.134	C4	C5	H12	108.134
C5	C3	H8	125.766	C5	C4	H9	108.134
C5	C4	H10	108.134	H9	C4	H10	109.520
H11	C5	H12	109.520

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

using model chemistry: HF/Def2TZVPP

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	-0.155
2	C	-0.107
3	C	-0.107
4	C	-0.032
5	C	-0.032
6	H	0.088
7	H	0.085
8	H	0.085
9	H	0.043
10	H	0.043
11	H	0.043
12	H	0.043

<r²>	99.791
(<r²>)^1/2	9.990

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

using model chemistry: HF/Def2TZVPP

States and conformations

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