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	hartrees
Energy at 0K	-234.606645
Energy at 298.15K	-234.617775
Nuclear repulsion energy	235.273527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3242	3086	26.98
2	A	3217	3062	7.97
3	A	3137	2985	26.78
4	A	3133	2982	46.67
5	A	3099	2950	28.69
6	A	3095	2945	33.24
7	A	3058	2910	28.04
8	A	3054	2907	26.78
9	A	3028	2882	45.15
10	A	3028	2882	24.43
11	A	1704	1622	5.45
12	A	1509	1436	9.58
13	A	1504	1432	3.62
14	A	1498	1426	0.83
15	A	1490	1418	3.49
16	A	1418	1350	6.28
17	A	1386	1319	0.81
18	A	1384	1317	4.21
19	A	1343	1278	2.10
20	A	1313	1250	0.62
21	A	1301	1238	3.84
22	A	1244	1184	0.36
23	A	1180	1123	0.02
24	A	1158	1102	2.56
25	A	1139	1084	0.40
26	A	1119	1065	1.00
27	A	1077	1026	3.40
28	A	1001	953	11.10
29	A	996	948	0.92
30	A	976	929	0.05
31	A	936	890	6.79
32	A	935	890	5.13
33	A	911	867	0.03
34	A	836	795	1.58
35	A	780	743	0.69
36	A	708	673	47.86
37	A	573	546	4.59
38	A	424	403	1.23
39	A	398	379	0.09
40	A	315	299	0.04
41	A	254	242	0.00
42	A	105	100	0.16

Atom	x (Å)	y (Å)	z (Å)
H1	-2.437	-1.290	-0.129
C2	-1.551	-0.668	-0.059
H3	-2.437	1.290	-0.128
C4	-1.551	0.668	-0.059
H5	0.140	-1.606	-1.002
H6	-0.040	-2.058	0.688
C7	-0.153	-1.223	-0.013
H8	-0.040	2.058	0.687
H9	0.140	1.605	-1.002
C10	-0.152	1.223	-0.013
H11	0.767	0.000	1.485
C12	0.703	0.000	0.390
H13	2.675	-0.883	0.141
H14	2.674	0.883	0.141
H15	2.091	-0.000	-1.275
C16	2.114	-0.000	-0.180

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0851	2.5809	2.1505	2.7389	2.6455	2.2879	4.1980	3.9733	3.3982	3.8126	3.4339	5.1343	5.5606	4.8456	4.7302
C2	1.0851		2.1505	1.3357	2.1512	2.1844	1.5050	3.2048	2.9857	2.3520	2.8645	2.3931	4.2354	4.5053	3.8972	3.7269
H3	2.5809	2.1505		1.0851	3.9741	4.1975	3.3982	2.6458	2.7391	2.2882	3.8125	3.4339	5.5607	5.1345	4.8460	4.7304
C4	2.1505	1.3357	1.0851		2.9864	3.2044	2.3521	2.1847	2.1510	1.5051	2.8644	2.3931	4.5053	4.2354	3.8974	3.7270
H5	2.7389	2.1512	3.9741	2.9864		1.7580	1.1002	4.0385	3.2114	3.0111	3.0262	2.1983	2.8724	3.7315	2.5416	2.6737
H6	2.6455	2.1844	4.1975	3.2044	1.7580		1.0954	4.1156	4.0380	3.3564	2.3498	2.2079	3.0077	4.0392	3.5537	3.1027
C7	2.2879	1.5050	3.3982	2.3521	1.1002	1.0954		3.3567	3.0107	2.4459	2.1416	1.5460	2.8515	3.5287	2.8503	2.5808
H8	4.1980	3.2048	2.6458	2.1847	4.0385	4.1156	3.3567		1.7580	1.0954	2.3502	2.2079	4.0391	3.0073	3.5535	3.1024
H9	3.9733	2.9857	2.7391	2.1510	3.2114	4.0380	3.0107	1.7580		1.1003	3.0263	2.1982	3.7315	2.8726	2.5416	2.6738
C10	3.3982	2.3520	2.2882	1.5051	3.0111	3.3564	2.4459	1.0954	1.1003		2.1415	1.5458	3.5286	2.8514	2.8504	2.5808
H11	3.8126	2.8645	3.8125	2.8644	3.0262	2.3498	2.1416	2.3502	3.0263	2.1415		1.0973	2.4947	2.4948	3.0618	2.1419
C12	3.4339	2.3931	3.4339	2.3931	2.1983	2.2079	1.5460	2.2079	2.1982	1.5458	1.0973		2.1745	2.1745	2.1681	1.5218
H13	5.1343	4.2354	5.5607	4.5053	2.8724	3.0077	2.8515	4.0391	3.7315	3.5286	2.4947	2.1745		1.7664	1.7683	1.0944
H14	5.5606	4.5053	5.1345	4.2354	3.7315	4.0392	3.5287	3.0073	2.8726	2.8514	2.4948	2.1745	1.7664		1.7683	1.0944
H15	4.8456	3.8972	4.8460	3.8974	2.5416	3.5537	2.8503	3.5535	2.5416	2.8504	3.0618	2.1681	1.7683	1.7683		1.0953
C16	4.7302	3.7269	4.7304	3.7270	2.6737	3.1027	2.5808	3.1024	2.6738	2.5808	2.1419	1.5218	1.0944	1.0944	1.0953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.016	H1	C2	C7	123.282
C2	C4	H3	125.015	C2	C4	C10	111.639
C2	C7	H5	110.360	C2	C7	H6	113.348
C2	C7	C12	103.319	H3	C4	C10	123.292
C4	C2	C7	111.650	C4	C10	H8	113.366
C4	C10	H9	110.332	C4	C10	C12	103.320
H5	C7	H6	106.388	H5	C7	C12	111.236
H6	C7	C12	112.292	C7	C12	C10	104.577
C7	C12	H11	107.004	C7	C12	C16	114.549
H8	C10	H9	106.389	H8	C10	C12	112.307
H9	C10	C12	111.228	C10	C12	H11	107.008
C10	C12	C16	114.551	H11	C12	C16	108.650
C12	C16	H13	111.393	C12	C16	H14	111.394
C12	C16	H15	110.822	H13	C16	H14	107.615
H13	C16	H15	107.719	H14	C16	H15	107.720

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

using model chemistry: mPW1PW91/6-31+G**

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	0.152
2	C	-0.045
3	H	0.152
4	C	-0.045
5	H	0.170
6	H	0.167
7	C	-0.596
8	H	0.167
9	H	0.170
10	C	-0.596
11	H	0.170
12	C	0.323
13	H	0.164
14	H	0.164
15	H	0.164
16	C	-0.677

	x	y	z	Total
	0.271	-0.000	0.008	0.271
CHELPG
AIM
ESP

<r²>	163.913
(<r²>)^1/2	12.803

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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