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	hartrees
Energy at 0K	-233.287414
Energy at 298.15K	-233.298578
Nuclear repulsion energy	233.996482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3236	3110	23.26
2	A	3206	3082	4.62
3	A	3122	3001	49.96
4	A	3116	2996	20.35
5	A	3100	2980	16.89
6	A	3094	2974	23.38
7	A	3067	2948	4.23
8	A	3046	2928	28.44
9	A	3031	2914	13.63
10	A	3031	2913	32.32
11	A	1686	1621	0.98
12	A	1563	1502	9.40
13	A	1556	1496	4.02
14	A	1534	1474	1.64
15	A	1528	1469	3.81
16	A	1454	1398	6.95
17	A	1391	1337	0.59
18	A	1380	1326	5.04
19	A	1359	1306	0.05
20	A	1322	1270	4.62
21	A	1316	1265	7.53
22	A	1279	1229	0.98
23	A	1207	1160	0.75
24	A	1171	1126	4.11
25	A	1161	1116	0.06
26	A	1126	1082	0.27
27	A	1076	1035	0.91
28	A	1004	965	6.52
29	A	992	953	0.26
30	A	976	938	1.96
31	A	954	917	6.38
32	A	924	888	4.45
33	A	913	877	0.84
34	A	824	792	2.13
35	A	793	762	0.82
36	A	717	689	49.11
37	A	586	563	6.42
38	A	422	406	1.78
39	A	394	378	0.09
40	A	325	312	0.25
41	A	261	251	0.04
42	A	93	89	0.05

Atom	x (Å)	y (Å)	z (Å)
H1	-2.438	-1.296	-0.152
C2	-1.558	-0.668	-0.072
H3	-2.438	1.296	-0.152
C4	-1.558	0.668	-0.072
H5	0.161	-1.612	-0.987
H6	-0.056	-2.058	0.720
C7	-0.150	-1.236	0.001
H8	-0.056	2.058	0.720
H9	0.161	1.612	-0.986
C10	-0.150	1.236	0.001
H11	0.790	0.000	1.509
C12	0.713	0.000	0.414
H13	2.681	-0.888	0.106
H14	2.681	0.888	0.106
H15	2.044	-0.000	-1.298
C16	2.115	-0.000	-0.202

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0845	2.5922	2.1539	2.7486	2.6492	2.2941	4.2059	3.9890	3.4161	3.8549	3.4540	5.1426	5.5723	4.8048	4.7349
C2	1.0845		2.1539	1.3361	2.1641	2.1947	1.5197	3.2120	2.9985	2.3689	2.9084	2.4164	4.2489	4.5195	3.8631	3.7359
H3	2.5922	2.1539		1.0845	3.9889	4.2060	3.4161	2.6492	2.7486	2.2942	3.8550	3.4541	5.5723	5.1427	4.8048	4.7350
C4	2.1539	1.3361	1.0845		2.9984	3.2121	2.3689	2.1947	2.1641	1.5197	2.9084	2.4164	4.5195	4.2489	3.8632	3.7359
H5	2.7486	2.1641	3.9889	2.9984		1.7772	1.1015	4.0535	3.2239	3.0300	3.0368	2.2054	2.8405	3.7140	2.4980	2.6516
H6	2.6492	2.1947	4.2060	3.2121	1.7772		1.0968	4.1170	4.0536	3.3731	2.3613	2.2186	3.0397	4.0684	3.5662	3.1309
C7	2.2941	1.5197	3.4161	2.3689	1.1015	1.0968		3.3731	3.0301	2.4714	2.1648	1.5629	2.8549	3.5411	2.8334	2.5887
H8	4.2059	3.2120	2.6492	2.1947	4.0535	4.1170	3.3731		1.7772	1.0968	2.3612	2.2185	4.0685	3.0399	3.5663	3.1310
H9	3.9890	2.9985	2.7486	2.1641	3.2239	4.0536	3.0301	1.7772		1.1015	3.0369	2.2054	3.7141	2.8405	2.4981	2.6517
C10	3.4161	2.3689	2.2942	1.5197	3.0300	3.3731	2.4714	1.0968	1.1015		2.1647	1.5628	3.5411	2.8549	2.8334	2.5887
H11	3.8549	2.9084	3.8550	2.9084	3.0368	2.3613	2.1648	2.3612	3.0369	2.1647		1.0981	2.5174	2.5174	3.0746	2.1651
C12	3.4540	2.4164	3.4541	2.4164	2.2054	2.2186	1.5629	2.2185	2.2054	1.5628	1.0981		2.1816	2.1816	2.1684	1.5320
H13	5.1426	4.2489	5.5723	4.5195	2.8405	3.0397	2.8549	4.0685	3.7141	3.5411	2.5174	2.1816		1.7760	1.7789	1.0973
H14	5.5723	4.5195	5.1427	4.2489	3.7140	4.0684	3.5411	3.0399	2.8405	2.8549	2.5174	2.1816	1.7760		1.7789	1.0973
H15	4.8048	3.8631	4.8048	3.8632	2.4980	3.5662	2.8334	3.5663	2.4981	2.8334	3.0746	2.1684	1.7789	1.7789		1.0975
C16	4.7349	3.7359	4.7350	3.7359	2.6516	3.1309	2.5887	3.1310	2.6517	2.5887	2.1651	1.5320	1.0973	1.0973	1.0975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.388	H1	C2	C7	122.636
C2	C4	H3	125.391	C2	C4	C10	111.933
C2	C7	H5	110.283	C2	C7	H6	113.036
C2	C7	C12	103.228	H3	C4	C10	122.636
C4	C2	C7	111.937	C4	C10	H8	113.029
C4	C10	H9	110.283	C4	C10	C12	103.228
H5	C7	H6	107.887	H5	C7	C12	110.536
H6	C7	C12	111.859	C7	C12	C10	104.501
C7	C12	H11	107.599	C7	C12	C16	113.526
H8	C10	H9	107.887	H8	C10	C12	111.860
H9	C10	C12	110.541	C10	C12	H11	107.600
C10	C12	C16	113.529	H11	C12	C16	109.707
C12	C16	H13	111.057	C12	C16	H14	111.058
C12	C16	H15	110.002	H13	C16	H14	108.051
H13	C16	H15	108.288	H14	C16	H15	108.287

All results from a given calculation for C₆H₁₀ (Cyclopentene, 4-methyl-)

using model chemistry: B3PW91/3-21G

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	0.202
2	C	-0.191
3	H	0.202
4	C	-0.191
5	H	0.221
6	H	0.215
7	C	-0.442
8	H	0.215
9	H	0.221
10	C	-0.442
11	H	0.226
12	C	-0.257
13	H	0.208
14	H	0.208
15	H	0.206
16	C	-0.603

	x	y	z	Total
	0.212	0.000	-0.016	0.213
CHELPG
AIM
ESP

<r²>	164.648
(<r²>)^1/2	12.832

All results from a given calculation for C6H10 (Cyclopentene, 4-methyl-)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 4-methyl-)