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	hartrees
Energy at 0K	-194.130909
Energy at 298.15K	-194.138194
HF Energy	-193.392170
Nuclear repulsion energy	164.056010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3309	3126	5.44
2	A₁	3249	3068	6.77
3	A₁	3097	2925	24.66
4	A₁	1543	1457	0.03
5	A₁	1515	1431	2.91
6	A₁	1301	1229	0.36
7	A₁	1138	1075	3.19
8	A₁	1066	1007	0.03
9	A₁	943	891	2.42
10	A₁	822	777	0.28
11	A₂	3124	2951	0.00
12	A₂	1249	1179	0.00
13	A₂	1010	954	0.00
14	A₂	660	623	0.00
15	A₂	90	85	0.00
16	B₁	3142	2967	26.32
17	B₁	1163	1098	3.54
18	B₁	1029	972	2.99
19	B₁	824	778	3.71
20	B₁	649	613	48.50
21	B₁	437	413	6.93
22	B₂	3297	3114	2.18
23	B₂	3087	2916	24.01
24	B₂	1493	1410	0.59
25	B₂	1402	1324	8.90
26	B₂	1321	1248	0.18
27	B₂	1301	1229	4.17
28	B₂	1082	1022	0.22
29	B₂	925	873	15.79
30	B₂	722	682	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.259
C2	0.000	1.138	0.505
C3	0.000	-1.138	0.505
C4	0.000	0.771	-0.961
C5	0.000	-0.771	-0.961
H6	0.000	0.000	2.343
H7	0.000	2.193	0.733
H8	0.000	-2.193	0.733
H9	0.875	1.184	-1.473
H10	-0.875	1.184	-1.473
H11	0.875	-1.184	-1.473
H12	-0.875	-1.184	-1.473

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12
C1		1.3652	1.3652	2.3502	2.3502	1.0838	2.2549	2.2549	3.1038	3.1038	3.1038	3.1038
C2	1.3652		2.2763	1.5114	2.4072	2.1616	1.0789	3.3387	2.1637	2.1637	3.1737	3.1737
C3	1.3652	2.2763		2.4072	1.5114	2.1616	3.3387	1.0789	3.1737	3.1737	2.1637	2.1637
C4	2.3502	1.5114	2.4072		1.5420	3.3927	2.2116	3.4138	1.0947	1.0947	2.2024	2.2024
C5	2.3502	2.4072	1.5114	1.5420		3.3927	3.4138	2.2116	2.2024	2.2024	1.0947	1.0947
H6	1.0838	2.1616	2.1616	3.3927	3.3927		2.7202	2.7202	4.0903	4.0903	4.0903	4.0903
H7	2.2549	1.0789	3.3387	2.2116	3.4138	2.7202		4.3854	2.5788	2.5788	4.1276	4.1276
H8	2.2549	3.3387	1.0789	3.4138	2.2116	2.7202	4.3854		4.1276	4.1276	2.5788	2.5788
H9	3.1038	2.1637	3.1737	1.0947	2.2024	4.0903	2.5788	4.1276		1.7496	2.3685	2.9446
H10	3.1038	2.1637	3.1737	1.0947	2.2024	4.0903	2.5788	4.1276	1.7496		2.9446	2.3685
H11	3.1038	3.1737	2.1637	2.2024	1.0947	4.0903	4.1276	2.5788	2.3685	2.9446		1.7496
H12	3.1038	3.1737	2.1637	2.2024	1.0947	4.0903	4.1276	2.5788	2.9446	2.3685	1.7496

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	109.466	C1	C2	H7	134.279
C1	C3	C5	109.466	C1	C3	H8	134.279
C2	C1	C3	112.953	C2	C1	H6	123.523
C2	C4	C5	104.057	C2	C4	H9	111.235
C2	C4	H10	111.235	C3	C1	H6	123.523
C3	C5	C4	104.057	C3	C5	H11	111.235
C3	C5	H12	111.235	C4	C2	H7	116.254
C4	C5	H11	112.177	C4	C5	H12	112.177
C5	C3	H8	116.254	C5	C4	H9	112.177
C5	C4	H10	112.177	H9	C4	H10	106.093
H11	C5	H12	106.093

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

using model chemistry: MP2/6-31G(2df,p)

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

using model chemistry: MP2/6-31G(2df,p)

States and conformations

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