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	hartrees
Energy at 0K	-194.685703
Energy at 298.15K	-194.693023
HF Energy	-194.685703
Nuclear repulsion energy	163.710724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	3103	10.91
2	A₁	3215	3074	3.77
3	A₁	3054	2920	40.43
4	A₁	1505	1439	3.09
5	A₁	1496	1430	3.91
6	A₁	1295	1238	0.29
7	A₁	1109	1061	2.33
8	A₁	1043	998	0.00
9	A₁	922	882	1.60
10	A₁	818	782	0.00
11	A₂	3062	2928	0.00
12	A₂	1234	1179	0.00
13	A₂	1003	958	0.00
14	A₂	638	610	0.00
15	A₂	137	131	0.00
16	B₁	3083	2947	38.79
17	B₁	1153	1103	2.16
18	B₁	948	906	4.11
19	B₁	819	783	1.89
20	B₁	584	558	69.63
21	B₁	456	436	2.56
22	B₂	3232	3090	15.34
23	B₂	3041	2908	31.90
24	B₂	1480	1415	1.96
25	B₂	1404	1342	7.10
26	B₂	1326	1268	3.44
27	B₂	1309	1251	2.61
28	B₂	1064	1017	0.10
29	B₂	919	879	21.30
30	B₂	731	698	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.162
C2	0.000	1.301	0.568
C3	0.000	-1.301	0.568
C4	0.000	0.809	-1.005
C5	0.000	-0.809	-1.005
H6	0.000	0.000	2.581
H7	0.000	2.322	0.908
H8	0.000	-2.322	0.908
H9	0.890	1.148	-1.533
H10	-0.890	1.148	-1.533
H11	0.890	-1.148	-1.533
H12	-0.890	-1.148	-1.533

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.4299	1.4299	2.3132	2.3132	1.4186	2.3362	2.3362	3.0620	3.0620	3.0620	3.0620
C2	1.4299		2.6015	1.6480	2.6319	2.3963	1.0767	3.6390	2.2872	2.2872	3.3474	3.3474
C3	1.4299	2.6015		2.6319	1.6480	2.3963	3.6390	1.0767	3.3474	3.3474	2.2872	2.2872
C4	2.3132	1.6480	2.6319		1.6187	3.6758	2.4390	3.6697	1.0888	1.0888	2.2142	2.2142
C5	2.3132	2.6319	1.6480	1.6187		3.6758	3.6697	2.4390	2.2142	2.2142	1.0888	1.0888
H6	1.4186	2.3963	2.3963	3.6758	3.6758		2.8620	2.8620	4.3630	4.3630	4.3630	4.3630
H7	2.3362	1.0767	3.6390	2.4390	3.6697	2.8620		4.6447	2.8515	2.8515	4.3356	4.3356
H8	2.3362	3.6390	1.0767	3.6697	2.4390	2.8620	4.6447		4.3356	4.3356	2.8515	2.8515
H9	3.0620	2.2872	3.3474	1.0888	2.2142	4.3630	2.8515	4.3356		1.7791	2.2964	2.9049
H10	3.0620	2.2872	3.3474	1.0888	2.2142	4.3630	2.8515	4.3356	1.7791		2.9049	2.2964
H11	3.0620	3.3474	2.2872	2.2142	1.0888	4.3630	4.3356	2.8515	2.2964	2.9049		1.7791
H12	3.0620	3.3474	2.2872	2.2142	1.0888	4.3630	4.3356	2.8515	2.9049	2.2964	1.7791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	97.196	C1	C2	H7	137.050
C1	C3	C5	97.196	C1	C3	H8	137.050
C2	C1	C3	130.911	C2	C1	H6	114.545
C2	C4	C5	107.348	C2	C4	H9	111.752
C2	C4	H10	111.752	C3	C1	H6	114.545
C3	C5	C4	107.348	C3	C5	H11	111.752
C3	C5	H12	111.752	C4	C2	H7	125.753
C4	C5	H11	108.133	C4	C5	H12	108.133
C5	C3	H8	125.753	C5	C4	H9	108.133
C5	C4	H10	108.133	H9	C4	H10	109.566
H11	C5	H12	109.566

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

using model chemistry: wB97X-D/cc-pVTZ

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	-0.138
2	C	-0.172
3	C	-0.172
4	C	-0.124
5	C	-0.124
6	H	0.125
7	H	0.127
8	H	0.127
9	H	0.087
10	H	0.087
11	H	0.087
12	H	0.087

<r²>	99.251
(<r²>)^1/2	9.962

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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