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	hartrees
Energy at 0K	-234.614490
Energy at 298.15K	-234.625599
Nuclear repulsion energy	234.931618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3227	3092	21.84
2	A	3200	3066	7.72
3	A	3132	3001	31.91
4	A	3130	2999	53.62
5	A	3126	2996	14.51
6	A	3093	2964	34.22
7	A	3063	2935	28.81
8	A	3046	2919	28.32
9	A	3036	2909	47.51
10	A	3006	2880	29.52
11	A	1698	1628	2.91
12	A	1488	1426	3.56
13	A	1479	1418	6.06
14	A	1476	1415	4.55
15	A	1467	1406	1.70
16	A	1395	1337	2.39
17	A	1390	1332	7.46
18	A	1338	1282	0.35
19	A	1323	1268	0.51
20	A	1306	1252	2.53
21	A	1285	1232	1.46
22	A	1227	1176	0.73
23	A	1201	1151	0.49
24	A	1148	1100	0.78
25	A	1116	1070	5.01
26	A	1104	1058	3.73
27	A	1071	1026	4.18
28	A	1012	970	2.36
29	A	972	931	1.01
30	A	959	919	2.57
31	A	952	912	0.20
32	A	922	884	3.47
33	A	863	827	2.75
34	A	829	794	1.20
35	A	762	730	1.80
36	A	733	703	37.80
37	A	588	564	5.10
38	A	497	476	2.83
39	A	341	327	0.04
40	A	287	275	0.12
41	A	234	225	0.04
42	A	117	112	0.11

Atom	x (Å)	y (Å)	z (Å)
H1	-0.292	2.219	0.103
C2	0.100	1.202	0.092
H3	2.167	1.583	-0.382
C4	1.371	0.874	-0.158
H5	2.144	-0.838	0.893
H6	2.200	-1.020	-0.858
C7	1.598	-0.610	-0.037
H8	0.057	-2.051	0.635
H9	-0.122	-1.481	-1.029
C10	0.163	-1.173	-0.013
H11	-0.899	-0.035	1.513
C12	-0.748	-0.003	0.419
H13	-2.733	0.837	0.093
H14	-2.670	-0.932	-0.001
H15	-2.025	0.051	-1.334
C16	-2.122	-0.011	-0.242

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0903	2.5860	2.1547	3.9878	4.1987	3.4048	4.3171	3.8728	3.4245	2.7269	2.2905	2.8045	3.9489	3.1259	2.9055
C2	1.0903		2.1547	1.3360	2.9964	3.2018	2.3539	3.2981	2.9158	2.3780	2.1324	1.5096	2.8562	3.4978	2.8066	2.5536
H3	2.5860	2.1547		1.0897	2.7365	2.6470	2.2920	4.3238	3.8790	3.4276	3.9511	3.4145	4.9791	5.4652	4.5645	4.5783
C4	2.1547	1.3360	1.0897		2.1525	2.1831	1.5059	3.3031	2.9205	2.3809	2.9618	2.3650	4.1113	4.4286	3.6871	3.6042
H5	3.9878	2.9964	2.7365	2.1525		1.7615	1.1022	2.4272	3.0394	2.2031	3.2077	3.0470	5.2178	4.8967	4.8096	4.4908
H6	4.1987	3.2018	2.6470	2.1831	1.7615		1.0984	2.8084	2.3734	2.2106	4.0253	3.3706	5.3564	4.9457	4.3854	4.4813
C7	3.4048	2.3539	2.2920	1.5059	1.1022	1.0984		2.2140	2.1675	1.5409	2.9946	2.4655	4.5675	4.2796	3.9046	3.7730
H8	4.3171	3.2981	4.3238	3.3031	2.4272	2.8084	2.2140		1.7683	1.0965	2.3980	2.2110	4.0520	3.0154	3.5545	3.1110
H9	3.8728	2.9158	3.8790	2.9205	3.0394	2.3734	2.1675	1.7683		1.0992	3.0263	2.1619	3.6675	2.8018	2.4625	2.6040
C10	3.4245	2.3780	3.4276	2.3809	2.2031	2.2106	1.5409	1.0965	1.0992		2.1805	1.5449	3.5271	2.8435	2.8347	2.5741
H11	2.7269	2.1324	3.9511	2.9618	3.2077	4.0253	2.9946	2.3980	3.0263	2.1805		1.1046	2.4776	2.4969	3.0635	2.1393
C12	2.2905	1.5096	3.4145	2.3650	3.0470	3.3706	2.4655	2.2110	2.1619	1.5449	1.1046		2.1797	2.1754	2.1703	1.5247
H13	2.8045	2.8562	4.9791	4.1113	5.2178	5.3564	4.5675	4.0520	3.6675	3.5271	2.4776	2.1797		1.7731	1.7767	1.0978
H14	3.9489	3.4978	5.4652	4.4286	4.8967	4.9457	4.2796	3.0154	2.8018	2.8435	2.4969	2.1754	1.7731		1.7772	1.0981
H15	3.1259	2.8066	4.5645	3.6871	4.8096	4.3854	3.9046	3.5545	2.4625	2.8347	3.0635	2.1703	1.7767	1.7772		1.0985
C16	2.9055	2.5536	4.5783	3.6042	4.4908	4.4813	3.7730	3.1110	2.6040	2.5741	2.1393	1.5247	1.0978	1.0981	1.0985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.963	H1	C2	C12	122.708
C2	C4	H3	125.015	C2	C4	C7	111.711
C2	C12	C10	102.245	C2	C12	H11	108.319
C2	C12	C16	114.616	H3	C4	C7	123.224
C4	C2	C12	112.288	C4	C7	H5	110.285
C4	C7	H6	112.983	C4	C7	C10	102.782
H5	C7	H6	106.350	H5	C7	C10	111.859
H6	C7	C10	112.698	C7	C10	H8	113.090
C7	C10	H9	109.229	C7	C10	C12	106.069
H8	C10	H9	107.289	H8	C10	C12	112.549
H9	C10	C12	108.521	C10	C12	H11	109.647
C10	C12	C16	113.973	H11	C12	C16	107.829
C12	C16	H13	111.388	C12	C16	H14	111.032
C12	C16	H15	110.596	H13	C16	H14	107.697
H13	C16	H15	107.980	H14	C16	H15	108.007

All results from a given calculation for C₆H₁₀ (Cyclopentene, 3-methyl-)

using model chemistry: mPW1PW91/aug-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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	H	-0.469
2	C	0.578
3	H	-0.386
4	C	0.157
5	H	-0.182
6	H	-0.181
7	C	0.535
8	H	-0.216
9	H	-0.303
10	C	0.620
11	H	-0.249
12	C	-0.090
13	H	-0.158
14	H	-0.099
15	H	-0.048
16	C	0.491

	x	y	z	Total
	-0.013	-0.215	0.175	0.278
CHELPG
AIM
ESP

	x	y	z
x	12.645	-0.283	-0.276
y	-0.283	10.459	-0.052
z	-0.276	-0.052	8.747

<r²>	164.628
(<r²>)^1/2	12.831

All results from a given calculation for C6H10 (Cyclopentene, 3-methyl-)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 3-methyl-)