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	hartrees
Energy at 0K	-193.385811
Energy at 298.15K	-193.393173
HF Energy	-193.385811
Nuclear repulsion energy	163.218073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3378	2907	13.11
2	A₁	3335	2870	11.33
3	A₁	3177	2734	61.24
4	A₁	1601	1378	2.46
5	A₁	1565	1347	0.05
6	A₁	1406	1210	0.01
7	A₁	1151	991	2.29
8	A₁	1092	940	0.49
9	A₁	966	831	1.28
10	A₁	857	738	0.08
11	A₂	3182	2739	0.00
12	A₂	1333	1148	0.00
13	A₂	1071	921	0.00
14	A₂	607	523	0.00
15	A₂	108	93	0.00
16	B₁	3206	2759	77.29
17	B₁	1225	1054	2.48
18	B₁	977	841	7.14
19	B₁	863	743	1.44
20	B₁	610	525	51.26
21	B₁	418	360	7.92
22	B₂	3366	2898	16.21
23	B₂	3158	2718	50.26
24	B₂	1572	1353	0.31
25	B₂	1509	1299	2.86
26	B₂	1423	1225	2.70
27	B₂	1402	1207	0.06
28	B₂	1130	972	0.98
29	B₂	960	826	8.22
30	B₂	768	661	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.274
C2	0.000	1.148	0.505
C3	0.000	-1.148	0.505
C4	0.000	0.771	-0.965
C5	0.000	-0.771	-0.965
H6	0.000	0.000	2.357
H7	0.000	2.207	0.718
H8	0.000	-2.207	0.718
H9	0.876	1.183	-1.477
H10	-0.876	1.183	-1.477
H11	0.876	-1.183	-1.477
H12	-0.876	-1.183	-1.477

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3819	1.3819	2.3681	2.3681	1.0832	2.2761	2.2761	3.1197	3.1197	3.1197	3.1197
C2	1.3819		2.2966	1.5178	2.4179	2.1791	1.0802	3.3623	2.1671	2.1671	3.1826	3.1826
C3	1.3819	2.2966		2.4179	1.5178	2.1791	3.3623	1.0802	3.1826	3.1826	2.1671	2.1671
C4	2.3681	1.5178	2.4179		1.5426	3.4106	2.2127	3.4214	1.0944	1.0944	2.2015	2.2015
C5	2.3681	2.4179	1.5178	1.5426		3.4106	3.4214	2.2127	2.2015	2.2015	1.0944	1.0944
H6	1.0832	2.1791	2.1791	3.4106	3.4106		2.7491	2.7491	4.1068	4.1068	4.1068	4.1068
H7	2.2761	1.0802	3.3623	2.2127	3.4214	2.7491		4.4145	2.5760	2.5760	4.1325	4.1325
H8	2.2761	3.3623	1.0802	3.4214	2.2127	2.7491	4.4145		4.1325	4.1325	2.5760	2.5760
H9	3.1197	2.1671	3.1826	1.0944	2.2015	4.1068	2.5760	4.1325		1.7510	2.3653	2.9430
H10	3.1197	2.1671	3.1826	1.0944	2.2015	4.1068	2.5760	4.1325	1.7510		2.9430	2.3653
H11	3.1197	3.1826	2.1671	2.2015	1.0944	4.1068	4.1325	2.5760	2.3653	2.9430		1.7510
H12	3.1197	3.1826	2.1671	2.2015	1.0944	4.1068	4.1325	2.5760	2.9430	2.3653	1.7510

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.418	C1	C2	H7	134.813
C1	C3	C5	109.418	C1	C3	H8	134.813
C2	C1	C3	112.398	C2	C1	H6	123.801
C2	C4	C5	104.383	C2	C4	H9	111.081
C2	C4	H10	111.081	C3	C1	H6	123.801
C3	C5	C4	104.383	C3	C5	H11	111.081
C3	C5	H12	111.081	C4	C2	H7	115.769
C4	C5	H11	112.079	C4	C5	H12	112.079
C5	C3	H8	115.769	C5	C4	H9	112.079
C5	C4	H10	112.079	H9	C4	H10	106.254
H11	C5	H12	106.254

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

using model chemistry: ROHF/cc-pVDZ

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	0.041
2	C	-0.103
3	C	-0.103
4	C	-0.021
5	C	-0.021
6	H	0.018
7	H	0.022
8	H	0.022
9	H	0.036
10	H	0.036
11	H	0.036
12	H	0.036

<r²>	99.991
(<r²>)^1/2	10.000

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

using model chemistry: ROHF/cc-pVDZ

States and conformations

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