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	hartrees
Energy at 0K	-234.730449
Energy at 298.15K	-234.741551
HF Energy	-234.730449
Nuclear repulsion energy	234.928049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3187	3083	22.35
2	A	3161	3058	8.51
3	A	3083	2983	55.39
4	A	3078	2978	32.35
5	A	3077	2977	17.93
6	A	3047	2948	42.01
7	A	3028	2929	28.03
8	A	3017	2919	25.98
9	A	2996	2899	41.96
10	A	2962	2865	29.47
11	A	1673	1618	2.85
12	A	1503	1455	3.87
13	A	1499	1450	5.24
14	A	1498	1449	3.69
15	A	1486	1438	1.44
16	A	1411	1365	2.04
17	A	1385	1340	5.78
18	A	1344	1300	1.69
19	A	1328	1285	0.55
20	A	1314	1271	3.17
21	A	1306	1264	0.65
22	A	1230	1190	0.96
23	A	1201	1162	0.58
24	A	1143	1105	0.93
25	A	1121	1084	3.81
26	A	1107	1071	6.21
27	A	1067	1032	1.54
28	A	996	963	1.42
29	A	983	951	0.07
30	A	967	935	2.14
31	A	943	913	0.99
32	A	905	876	3.75
33	A	853	825	2.01
34	A	823	796	1.41
35	A	762	737	0.84
36	A	741	717	36.95
37	A	590	571	4.91
38	A	499	482	2.27
39	A	341	330	0.03
40	A	287	278	0.10
41	A	235	228	0.04
42	A	112	108	0.10

Atom	x (Å)	y (Å)	z (Å)
H1	-0.291	2.211	0.113
C2	0.103	1.202	0.097
H3	2.157	1.583	-0.383
C4	1.366	0.879	-0.158
H5	2.158	-0.836	0.871
H6	2.193	-1.009	-0.872
C7	1.604	-0.608	-0.045
H8	0.071	-2.045	0.651
H9	-0.120	-1.500	-1.008
C10	0.167	-1.180	-0.005
H11	-0.909	-0.036	1.507
C12	-0.751	-0.005	0.422
H13	-2.731	0.838	0.078
H14	-2.676	-0.922	-0.005
H15	-2.027	0.044	-1.334
C16	-2.126	-0.011	-0.248

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0828	2.5751	2.1431	3.9822	4.1838	3.3996	4.3047	3.8803	3.4232	2.7153	2.2835	2.7994	3.9388	3.1305	2.9037
C2	1.0828		2.1432	1.3287	2.9963	3.1930	2.3553	3.2941	2.9286	2.3851	2.1317	1.5137	2.8571	3.4995	2.8156	2.5613
H3	2.5751	2.1432		1.0821	2.7253	2.6382	2.2850	4.3108	3.8839	3.4262	3.9487	3.4093	4.9652	5.4566	4.5580	4.5718
C4	2.1431	1.3287	1.0821		2.1516	2.1812	1.5100	3.2989	2.9318	2.3881	2.9643	2.3664	4.1039	4.4282	3.6870	3.6051
H5	3.9822	2.9963	2.7253	2.1516		1.7515	1.0950	2.4219	3.0276	2.2028	3.2331	3.0587	5.2282	4.9141	4.8117	4.5045
H6	4.1838	3.1930	2.6382	2.1812	1.7515		1.0916	2.8093	2.3686	2.2104	4.0279	3.3683	5.3432	4.9460	4.3734	4.4762
C7	3.3996	2.3553	2.2850	1.5100	1.0950	1.0916		2.2131	2.1673	1.5472	3.0079	2.4747	4.5704	4.2914	3.9071	3.7825
H8	4.3047	3.2941	4.3108	3.2989	2.4219	2.8093	2.2131		1.7571	1.0897	2.3935	2.2114	4.0606	3.0398	3.5644	3.1264
H9	3.8803	2.9286	3.8839	2.9318	3.0276	2.3686	2.1673	1.7571		1.0920	3.0156	2.1633	3.6685	2.8058	2.4748	2.6113
C10	3.4232	2.3851	3.4262	2.3881	2.2028	2.2104	1.5472	1.0897	1.0920		2.1795	1.5506	3.5314	2.8544	2.8417	2.5849
H11	2.7153	2.1317	3.9487	2.9643	3.2331	4.0279	3.0079	2.3935	3.0156	2.1795		1.0970	2.4751	2.4892	3.0541	2.1362
C12	2.2835	1.5137	3.4093	2.3664	3.0587	3.3683	2.4747	2.2114	2.1633	1.5506	1.0970		2.1791	2.1751	2.1712	1.5300
H13	2.7994	2.8571	4.9652	4.1039	5.2282	5.3432	4.5704	4.0606	3.6685	3.5314	2.4751	2.1791		1.7624	1.7656	1.0916
H14	3.9388	3.4995	5.4566	4.4282	4.9141	4.9460	4.2914	3.0398	2.8058	2.8544	2.4892	2.1751	1.7624		1.7661	1.0916
H15	3.1305	2.8156	4.5580	3.6870	4.8117	4.3734	3.9071	3.5644	2.4748	2.8417	3.0541	2.1712	1.7656	1.7661		1.0916
C16	2.9037	2.5613	4.5718	3.6051	4.5045	4.4762	3.7825	3.1264	2.6113	2.5849	2.1362	1.5300	1.0916	1.0916	1.0916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.117	H1	C2	C12	122.288
C2	C4	H3	125.185	C2	C4	C7	111.981
C2	C12	C10	102.216	C2	C12	H11	108.424
C2	C12	C16	114.601	H3	C4	C7	122.790
C4	C2	C12	112.563	C4	C7	H5	110.353
C4	C7	H6	112.955	C4	C7	C10	102.718
H5	C7	H6	106.457	H5	C7	C10	111.823
H6	C7	C10	112.644	C7	C10	H8	112.981
C7	C10	H9	109.190	C7	C10	C12	106.043
H8	C10	H9	107.288	H8	C10	C12	112.595
H9	C10	C12	108.657	C10	C12	H11	109.629
C10	C12	C16	114.094	H11	C12	C16	107.676
C12	C16	H13	111.352	C12	C16	H14	111.031
C12	C16	H15	110.719	H13	C16	H14	107.658
H13	C16	H15	107.946	H14	C16	H15	107.988

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

using model chemistry: B3LYPultrafine/aug-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	0.378
2	C	-0.804
3	H	0.418
4	C	-0.525
5	H	0.125
6	H	0.180
7	C	-0.265
8	H	0.174
9	H	0.124
10	C	-0.384
11	H	0.216
12	C	0.555
13	H	0.161
14	H	0.140
15	H	0.234
16	C	-0.726

	x	y	z	Total
	-0.008	-0.209	0.174	0.272
CHELPG
AIM
ESP

	x	y	z
x	12.721	-0.275	-0.276
y	-0.275	10.523	-0.048
z	-0.276	-0.048	8.808

<r²>	165.086
(<r²>)^1/2	12.849

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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