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	hartrees
Energy at 0K	-230.254446
Energy at 298.15K	-230.265681
Nuclear repulsion energy	234.339713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3753	3064	0.18
2	A	3752	3063	2.35
3	A	3749	3061	1.51
4	A	3738	3052	2.35
5	A	3714	3033	20.48
6	A	3705	3025	2.19
7	A	3621	2956	2.43
8	A	3617	2953	5.33
9	A	3594	2934	4.22
10	A	3565	2911	2.37
11	A	2054	1677	0.37
12	A	1842	1504	0.36
13	A	1838	1501	0.58
14	A	1837	1500	1.28
15	A	1823	1488	0.62
16	A	1737	1418	0.40
17	A	1686	1377	4.43
18	A	1627	1329	4.36
19	A	1615	1319	0.95
20	A	1580	1290	10.59
21	A	1550	1266	3.07
22	A	1489	1215	0.38
23	A	1431	1168	0.21
24	A	1351	1103	1.66
25	A	1328	1084	1.20
26	A	1308	1068	1.56
27	A	1266	1033	1.47
28	A	1204	983	0.25
29	A	1184	967	0.07
30	A	1153	942	0.13
31	A	1130	922	0.46
32	A	1082	884	0.47
33	A	985	804	0.84
34	A	968	790	0.35
35	A	880	719	9.00
36	A	878	717	1.64
37	A	712	582	2.67
38	A	562	459	0.81
39	A	383	313	0.08
40	A	310	253	0.03
41	A	249	203	0.01
42	A	75	61	0.04

Atom	x (Å)	y (Å)	z (Å)
H1	-0.289	2.215	0.193
C2	0.114	1.212	0.140
H3	2.144	1.589	-0.390
C4	1.347	0.895	-0.156
H5	2.245	-0.870	0.718
H6	2.068	-0.972	-1.024
C7	1.592	-0.608	-0.114
H8	0.149	-1.978	0.832
H9	-0.170	-1.651	-0.860
C10	0.168	-1.203	0.071
H11	-0.976	-0.029	1.519
C12	-0.758	-0.005	0.449
H13	-2.706	0.851	-0.017
H14	-2.667	-0.908	-0.082
H15	-1.945	0.037	-1.381
C16	-2.105	-0.006	-0.308

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0819	2.5787	2.1309	4.0268	4.1464	3.4064	4.2642	4.0087	3.4506	2.6956	2.2836	2.7839	3.9352	3.1566	2.9128
C2	1.0819		2.1316	1.3076	3.0354	3.1536	2.3589	3.2648	3.0461	2.4168	2.1515	1.5287	2.8473	3.5039	2.8163	2.5706
H3	2.5787	2.1316		1.0819	2.6987	2.6386	2.2819	4.2653	4.0085	3.4510	3.9990	3.4150	4.9198	5.4287	4.4837	4.5389
C4	2.1309	1.3076	1.0819		2.1647	2.1811	1.5236	3.2658	3.0459	2.4172	3.0091	2.3678	4.0558	4.4010	3.6154	3.5710
H5	4.0268	3.0354	2.6987	2.1647		1.7537	1.0902	2.3738	2.9890	2.2014	3.4240	3.1368	5.2933	4.9773	4.7733	4.5524
H6	4.1464	3.1536	2.6386	2.1811	1.7537		1.0890	2.8530	2.3448	2.2054	4.0768	3.3302	5.2086	4.8285	4.1532	4.3430
C7	3.4064	2.3589	2.2819	1.5236	1.0902	1.0890		2.2030	2.1787	1.5543	3.0977	2.4904	4.5399	4.2695	3.8114	3.7506
H8	4.2642	3.2648	4.2653	3.2658	2.3738	2.8530	2.2030		1.7527	1.0866	2.3529	2.2050	4.1081	3.1484	3.6527	3.2046
H9	4.0087	3.0461	4.0085	3.0459	2.9890	2.3448	2.1787	1.7527		1.0870	2.9899	2.1834	3.6606	2.7188	2.5039	2.5989
C10	3.4506	2.4168	3.4510	2.4172	2.2014	2.2054	1.5543	1.0866	1.0870		2.1868	1.5602	3.5333	2.8542	2.8474	2.5964
H11	2.6956	2.1515	3.9990	3.0091	3.4240	4.0768	3.0977	2.3529	2.9899	2.1868		1.0924	2.4757	2.4896	3.0583	2.1480
C12	2.2836	1.5287	3.4150	2.3678	3.1368	3.3302	2.4904	2.2050	2.1834	1.5602	1.0924		2.1785	2.1777	2.1814	1.5452
H13	2.7839	2.8473	4.9198	4.0558	5.2933	5.2086	4.5399	4.1081	3.6606	3.5333	2.4757	2.1785		1.7602	1.7611	1.0862
H14	3.9352	3.5039	5.4287	4.4010	4.9773	4.8285	4.2695	3.1484	2.7188	2.8542	2.4896	2.1777	1.7602		1.7610	1.0862
H15	3.1566	2.8163	4.4837	3.6154	4.7733	4.1532	3.8114	3.6527	2.5039	2.8474	3.0583	2.1814	1.7611	1.7610		1.0859
C16	2.9128	2.5706	4.5389	3.5710	4.5524	4.3430	3.7506	3.2046	2.5989	2.5964	2.1480	1.5452	1.0862	1.0862	1.0859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.941	H1	C2	C12	121.083
C2	C4	H3	126.009	C2	C4	C7	112.632
C2	C12	C10	102.961	C2	C12	H11	109.204
C2	C12	C16	113.497	H3	C4	C7	121.347
C4	C2	C12	112.965	C4	C7	H5	110.730
C4	C7	H6	112.121	C4	C7	C10	103.502
H5	C7	H6	107.169	H5	C7	C10	111.495
H6	C7	C10	111.895	C7	C10	H8	111.846
C7	C10	H9	109.889	C7	C10	C12	106.187
H8	C10	H9	107.493	H8	C10	C12	111.587
H9	C10	C12	109.849	C10	C12	H11	109.803
C10	C12	C16	113.458	H11	C12	C16	107.813
C12	C16	H13	110.548	C12	C16	H14	110.487
C12	C16	H15	110.802	H13	C16	H14	108.241
H13	C16	H15	108.341	H14	C16	H15	108.337

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

using model chemistry: HF/STO-3G

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	0.056
2	C	-0.071
3	H	0.057
4	C	-0.068
5	H	0.056
6	H	0.056
7	C	-0.107
8	H	0.053
9	H	0.054
10	C	-0.104
11	H	0.051
12	C	-0.026
13	H	0.057
14	H	0.058
15	H	0.057
16	C	-0.179

	x	y	z	Total
	-0.041	-0.106	0.049	0.124
CHELPG
AIM
ESP

	x	y	z
x	6.129	-0.325	-0.536
y	-0.325	4.626	-0.004
z	-0.536	-0.004	3.435

<r²>	163.532
(<r²>)^1/2	12.788

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

using model chemistry: HF/STO-3G

States and conformations

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