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	hartrees
Energy at 0K	-194.699536
Energy at 298.15K	-194.706729
HF Energy	-194.699536
Nuclear repulsion energy	162.988095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3237	3121	8.42
2	A₁	3182	3068	12.84
3	A₁	3018	2910	42.79
4	A₁	1496	1443	2.10
5	A₁	1486	1433	4.04
6	A₁	1284	1238	0.52
7	A₁	1105	1065	4.28
8	A₁	1034	997	0.00
9	A₁	909	876	3.83
10	A₁	808	779	0.19
11	A₂	3021	2913	0.00
12	A₂	1224	1180	0.00
13	A₂	992	957	0.00
14	A₂	612	590	0.00
15	A₂	107	103	0.00
16	B₁	3041	2933	45.38
17	B₁	1138	1098	3.41
18	B₁	953	919	5.16
19	B₁	809	780	2.86
20	B₁	599	578	74.13
21	B₁	426	411	9.03
22	B₂	3228	3113	10.53
23	B₂	3005	2898	39.50
24	B₂	1472	1419	1.29
25	B₂	1433	1382	2.05
26	B₂	1316	1269	3.50
27	B₂	1306	1259	6.22
28	B₂	1086	1047	1.70
29	B₂	912	879	17.56
30	B₂	722	696	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.270
C2	0.000	1.150	0.506
C3	0.000	-1.150	0.506
C4	0.000	0.775	-0.965
C5	0.000	-0.775	-0.965
H6	0.000	0.000	2.358
H7	0.000	2.211	0.724
H8	0.000	-2.211	0.724
H9	0.877	1.190	-1.483
H10	-0.877	1.190	-1.483
H11	0.877	-1.190	-1.483
H12	-0.877	-1.190	-1.483

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3804	1.3804	2.3656	2.3656	1.0875	2.2774	2.2774	3.1245	3.1245	3.1245	3.1245
C2	1.3804		2.2993	1.5179	2.4225	2.1794	1.0834	3.3676	2.1739	2.1739	3.1931	3.1931
C3	1.3804	2.2993		2.4225	1.5179	2.1794	3.3676	1.0834	3.1931	3.1931	2.1739	2.1739
C4	2.3656	1.5179	2.4225		1.5501	3.4117	2.2167	3.4305	1.0994	1.0994	2.2128	2.2128
C5	2.3656	2.4225	1.5179	1.5501		3.4117	3.4305	2.2167	2.2128	2.2128	1.0994	1.0994
H6	1.0875	2.1794	2.1794	3.4117	3.4117		2.7490	2.7490	4.1149	4.1149	4.1149	4.1149
H7	2.2774	1.0834	3.3676	2.2167	3.4305	2.7490		4.4219	2.5849	2.5849	4.1475	4.1475
H8	2.2774	3.3676	1.0834	3.4305	2.2167	2.7490	4.4219		4.1475	4.1475	2.5849	2.5849
H9	3.1245	2.1739	3.1931	1.0994	2.2128	4.1149	2.5849	4.1475		1.7534	2.3790	2.9553
H10	3.1245	2.1739	3.1931	1.0994	2.2128	4.1149	2.5849	4.1475	1.7534		2.9553	2.3790
H11	3.1245	3.1931	2.1739	2.2128	1.0994	4.1149	4.1475	2.5849	2.3790	2.9553		1.7534
H12	3.1245	3.1931	2.1739	2.2128	1.0994	4.1149	4.1475	2.5849	2.9553	2.3790	1.7534

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.319	C1	C2	H7	134.794
C1	C3	C5	109.319	C1	C3	H8	134.794
C2	C1	C3	112.786	C2	C1	H6	123.607
C2	C4	C5	104.288	C2	C4	H9	111.317
C2	C4	H10	111.317	C3	C1	H6	123.607
C3	C5	C4	104.288	C3	C5	H11	111.317
C3	C5	H12	111.317	C4	C2	H7	115.887
C4	C5	H11	112.148	C4	C5	H12	112.148
C5	C3	H8	115.887	C5	C4	H9	112.148
C5	C4	H10	112.148	H9	C4	H10	105.771
H11	C5	H12	105.771

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

using model chemistry: B3LYP/6-31+G**

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	-0.096
2	C	-0.065
3	C	-0.065
4	C	-0.380
5	C	-0.380
6	H	0.123
7	H	0.132
8	H	0.132
9	H	0.150
10	H	0.150
11	H	0.150
12	H	0.150

<r²>	100.386
(<r²>)^1/2	10.019

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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