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	hartrees
Energy at 0K	-195.077389
Energy at 298.15K	-195.086367
HF Energy	-194.864905
Nuclear repulsion energy	171.188930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3080	26.51
2	A'	3149	2989	43.77
3	A'	3111	2953	51.97
4	A'	3092	2935	10.19
5	A'	3054	2898	29.41
6	A'	1700	1613	1.23
7	A'	1558	1479	0.60
8	A'	1533	1455	1.05
9	A'	1364	1295	0.12
10	A'	1260	1196	1.29
11	A'	1151	1092	0.09
12	A'	1097	1041	5.13
13	A'	994	943	0.82
14	A'	925	878	0.40
15	A'	843	801	0.38
16	A'	723	686	27.89
17	A'	614	583	10.04
18	A'	156	148	0.18
19	A"	3221	3057	8.17
20	A"	3105	2947	28.60
21	A"	3054	2899	55.70
22	A"	1540	1462	0.29
23	A"	1412	1340	0.97
24	A"	1357	1288	0.84
25	A"	1337	1269	1.66
26	A"	1251	1187	0.03
27	A"	1174	1115	1.54
28	A"	1061	1007	1.34
29	A"	968	919	0.08
30	A"	940	892	5.44
31	A"	914	867	2.33
32	A"	786	746	0.17
33	A"	393	373	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.267	-1.202	0.000
C2	-0.069	-0.328	1.236
C3	-0.069	-0.328	-1.236
C4	-0.069	1.073	0.669
C5	-0.069	1.073	-0.669
H6	1.336	-1.431	0.000
H7	-0.270	-2.154	0.000
H8	-1.054	-0.574	1.655
H9	-1.054	-0.574	-1.655
H10	-0.107	1.959	1.295
H11	-0.107	1.959	-1.295
H12	0.656	-0.459	-2.047
H13	0.656	-0.459	2.047

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5504	1.5504	2.3947	2.3947	1.0939	1.0929	2.2086	2.2086	3.4364	3.4364	2.2122	2.2122
C2	1.5504		2.4726	1.5121	2.3651	2.1723	2.2140	1.0982	3.0646	2.2887	3.4123	3.3651	1.0954
C3	1.5504	2.4726		2.3651	1.5121	2.1723	2.2140	3.0646	1.0982	3.4123	2.2887	1.0954	3.3651
C4	2.3947	1.5121	2.3651		1.3375	2.9482	3.3018	2.1580	3.0141	1.0859	2.1551	3.2015	2.1848
C5	2.3947	2.3651	1.5121	1.3375		2.9482	3.3018	3.0141	2.1580	2.1551	1.0859	2.1848	3.2015
H6	1.0939	2.1723	2.1723	2.9482	2.9482		1.7613	3.0311	3.0311	3.9055	3.9055	2.3662	2.3662
H7	1.0929	2.2140	2.2140	3.3018	3.3018	1.7613		2.4189	2.4189	4.3155	4.3155	2.8142	2.8142
H8	2.2086	1.0982	3.0646	2.1580	3.0141	3.0311	2.4189		3.3105	2.7285	4.0027	4.0798	1.7578
H9	2.2086	3.0646	1.0982	3.0141	2.1580	3.0311	2.4189	3.3105		4.0027	2.7285	1.7578	4.0798
H10	3.4364	2.2887	3.4123	1.0859	2.1551	3.9055	4.3155	2.7285	4.0027		2.5907	4.1956	2.6449
H11	3.4364	3.4123	2.2887	2.1551	1.0859	3.9055	4.3155	4.0027	2.7285	2.5907		2.6449	4.1956
H12	2.2122	3.3651	1.0954	3.2015	2.1848	2.3662	2.8142	4.0798	1.7578	4.1956	2.6449		4.0946
H13	2.2122	1.0954	3.3651	2.1848	3.2015	2.3662	2.8142	1.7578	4.0798	2.6449	4.1956	4.0946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	102.873	C1	C2	H8	111.859
C1	C2	H13	112.327	C1	C3	C5	102.873
C1	C3	H9	111.859	C1	C3	H12	112.327
C2	C1	C3	105.764	C2	C1	H6	109.248
C2	C1	H7	112.616	C2	C4	C5	112.046
C2	C4	H10	122.665	C3	C1	H6	109.248
C3	C1	H7	112.616	C3	C5	C4	112.046
C3	C5	H11	122.665	C4	C2	H8	110.527
C4	C2	H13	112.863	C4	C5	H11	125.242
C5	C3	H9	110.527	C5	C3	H12	112.863
C5	C4	H10	125.242	H6	C1	H7	107.299
H8	C2	H13	106.508	H9	C3	H12	106.508

All results from a given calculation for C₅H₈ (Cyclopentene)

using model chemistry: B2PLYP/6-31G*

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	-0.302
2	C	-0.316
3	C	-0.316
4	C	-0.138
5	C	-0.138
6	H	0.155
7	H	0.148
8	H	0.153
9	H	0.153
10	H	0.149
11	H	0.149
12	H	0.151
13	H	0.151

	x	y	z
x	5.325	-0.067	0.000
y	-0.067	7.310	0.000
z	0.000	0.000	8.656

<r²>	104.944
(<r²>)^1/2	10.244

All results from a given calculation for C5H8 (Cyclopentene)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₅H₈ (Cyclopentene)