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	hartrees
Energy at 0K	-234.389803
Energy at 298.15K	-234.400739
Nuclear repulsion energy	234.234981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3122	3101	24.63
2	A	3096	3075	8.37
3	A	3030	3009	35.54
4	A	3028	3007	39.61
5	A	3024	3003	18.04
6	A	2987	2966	37.99
7	A	2966	2945	29.36
8	A	2958	2938	25.08
9	A	2933	2913	39.84
10	A	2897	2877	28.77
11	A	1628	1617	1.81
12	A	1448	1438	5.98
13	A	1445	1435	4.43
14	A	1444	1434	2.97
15	A	1429	1419	1.70
16	A	1358	1349	2.36
17	A	1337	1328	5.19
18	A	1291	1283	1.57
19	A	1277	1268	0.62
20	A	1265	1256	2.51
21	A	1253	1244	1.07
22	A	1186	1178	0.89
23	A	1160	1152	0.39
24	A	1109	1101	0.80
25	A	1083	1075	4.64
26	A	1070	1063	3.83
27	A	1039	1032	2.70
28	A	976	969	2.17
29	A	943	937	0.91
30	A	931	924	2.18
31	A	924	918	0.58
32	A	890	884	3.52
33	A	834	828	2.36
34	A	801	796	1.17
35	A	741	736	1.03
36	A	713	709	32.24
37	A	571	567	4.71
38	A	483	480	2.59
39	A	332	330	0.04
40	A	279	277	0.13
41	A	229	227	0.03
42	A	113	113	0.10

Atom	x (Å)	y (Å)	z (Å)
H1	-0.294	2.222	0.110
C2	0.101	1.205	0.094
H3	2.171	1.586	-0.384
C4	1.373	0.877	-0.160
H5	2.157	-0.838	0.888
H6	2.207	-1.021	-0.864
C7	1.604	-0.609	-0.040
H8	0.063	-2.056	0.644
H9	-0.123	-1.491	-1.024
C10	0.165	-1.178	-0.009
H11	-0.907	-0.033	1.518
C12	-0.751	-0.002	0.422
H13	-2.738	0.845	0.076
H14	-2.685	-0.928	0.005
H15	-2.030	0.035	-1.340
C16	-2.129	-0.012	-0.245

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0916	2.5935	2.1593	3.9973	4.2098	3.4119	4.3257	3.8864	3.4332	2.7278	2.2917	2.8050	3.9552	3.1458	2.9124
C2	1.0916		2.1587	1.3382	3.0050	3.2104	2.3594	3.3065	2.9274	2.3859	2.1386	1.5130	2.8619	3.5091	2.8222	2.5628
H3	2.5935	2.1587		1.0909	2.7380	2.6517	2.2937	4.3319	3.8918	3.4361	3.9640	3.4223	4.9862	5.4818	4.5791	4.5897
C4	2.1593	1.3382	1.0909		2.1577	2.1893	1.5088	3.3112	2.9315	2.3886	2.9738	2.3716	4.1183	4.4440	3.6987	3.6142
H5	3.9973	3.0050	2.7380	2.1577		1.7626	1.1050	2.4347	3.0472	2.2107	3.2300	3.0619	5.2401	4.9225	4.8228	4.5098
H6	4.2098	3.2104	2.6517	2.1893	1.7626		1.1007	2.8176	2.3823	2.2189	4.0429	3.3825	5.3686	4.9689	4.3923	4.4946
C7	3.4119	2.3594	2.2937	1.5088	1.1050	1.1007		2.2213	2.1746	1.5471	3.0107	2.4755	4.5808	4.3005	3.9126	3.7859
H8	4.3257	3.3065	4.3319	3.3112	2.4347	2.8176	2.2213		1.7709	1.0982	2.4078	2.2205	4.0728	3.0382	3.5621	3.1262
H9	3.8864	2.9274	3.8918	2.9315	3.0472	2.3823	2.1746	1.7709		1.1014	3.0339	2.1688	3.6757	2.8176	2.4629	2.6114
C10	3.4332	2.3859	3.4361	2.3886	2.2107	2.2189	1.5471	1.0982	1.1014		2.1891	1.5521	3.5404	2.8611	2.8399	2.5848
H11	2.7278	2.1386	3.9640	2.9738	3.2300	4.0429	3.0107	2.4078	3.0339	2.1891		1.1076	2.4907	2.4998	3.0713	2.1453
C12	2.2917	1.5130	3.4223	2.3716	3.0619	3.3825	2.4755	2.2205	2.1688	1.5521	1.1076		2.1877	2.1836	2.1771	1.5308
H13	2.8050	2.8619	4.9862	4.1183	5.2401	5.3686	4.5808	4.0728	3.6757	3.5404	2.4907	2.1877		1.7753	1.7786	1.0998
H14	3.9552	3.5091	5.4818	4.4440	4.9225	4.9689	4.3005	3.0382	2.8176	2.8611	2.4998	2.1836	1.7753		1.7791	1.0999
H15	3.1458	2.8222	4.5791	3.6987	4.8228	4.3923	3.9126	3.5621	2.4629	2.8399	3.0713	2.1771	1.7786	1.7791		1.1003
C16	2.9124	2.5628	4.5897	3.6142	4.5098	4.4946	3.7859	3.1262	2.6114	2.5848	2.1453	1.5308	1.0998	1.0999	1.1003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.116	H1	C2	C12	122.421
C2	C4	H3	125.112	C2	C4	C7	111.798
C2	C12	C10	102.224	C2	C12	H11	108.392
C2	C12	C16	114.698	H3	C4	C7	123.033
C4	C2	C12	112.421	C4	C7	H5	110.326
C4	C7	H6	113.129	C4	C7	C10	102.813
H5	C7	H6	106.087	H5	C7	C10	111.850
H6	C7	C10	112.769	C7	C10	H8	113.121
C7	C10	H9	109.222	C7	C10	C12	106.024
H8	C10	H9	107.236	H8	C10	C12	112.698
H9	C10	C12	108.439	C10	C12	H11	109.654
C10	C12	C16	113.950	H11	C12	C16	107.721
C12	C16	H13	111.488	C12	C16	H14	111.154
C12	C16	H15	110.613	H13	C16	H14	107.624
H13	C16	H15	107.890	H14	C16	H15	107.916

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

using model chemistry: PBEPBE/cc-pVTZ

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	0.088
2	C	-0.129
3	H	0.097
4	C	-0.133
5	H	0.078
6	H	0.078
7	C	-0.128
8	H	0.075
9	H	0.071
10	C	-0.140
11	H	0.070
12	C	-0.008
13	H	0.089
14	H	0.091
15	H	0.087
16	C	-0.288

	x	y	z	Total
	-0.001	-0.187	0.164	0.249
CHELPG
AIM
ESP

	x	y	z
x	12.648	-0.313	-0.361
y	-0.313	10.383	-0.068
z	-0.361	-0.068	8.306

<r²>	165.657
(<r²>)^1/2	12.871

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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