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	hartrees
Energy at 0K	-234.730451
Energy at 298.15K	-234.741563
HF Energy	-234.730451
Nuclear repulsion energy	234.930540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3188	3084	22.34
2	A	3162	3060	8.54
3	A	3084	2984	56.30
4	A	3079	2979	30.36
5	A	3078	2978	19.14
6	A	3048	2949	41.84
7	A	3028	2930	29.20
8	A	3018	2920	25.25
9	A	2998	2900	41.89
10	A	2964	2867	29.42
11	A	1672	1618	2.84
12	A	1504	1455	3.83
13	A	1499	1451	5.06
14	A	1498	1449	3.92
15	A	1487	1438	1.44
16	A	1413	1367	2.18
17	A	1386	1341	5.65
18	A	1344	1300	1.65
19	A	1328	1285	0.58
20	A	1314	1271	3.14
21	A	1306	1264	0.71
22	A	1231	1191	0.97
23	A	1201	1162	0.58
24	A	1142	1105	0.94
25	A	1121	1084	3.78
26	A	1107	1071	6.15
27	A	1067	1032	1.56
28	A	996	963	1.37
29	A	983	951	0.08
30	A	967	936	2.18
31	A	944	913	0.99
32	A	906	876	3.75
33	A	853	825	1.97
34	A	823	796	1.41
35	A	762	737	0.76
36	A	741	717	37.06
37	A	590	571	4.91
38	A	499	483	2.26
39	A	343	331	0.04
40	A	289	279	0.10
41	A	236	228	0.04
42	A	114	111	0.10

Atom	x (Å)	y (Å)	z (Å)
H1	-0.289	2.211	0.113
C2	0.103	1.202	0.097
H3	2.155	1.583	-0.382
C4	1.366	0.878	-0.158
H5	2.156	-0.837	0.871
H6	2.190	-1.010	-0.871
C7	1.601	-0.607	-0.045
H8	0.071	-2.044	0.653
H9	-0.123	-1.501	-1.008
C10	0.166	-1.180	-0.004
H11	-0.908	-0.035	1.508
C12	-0.750	-0.004	0.422
H13	-2.726	0.841	0.073
H14	-2.676	-0.919	-0.001
H15	-2.024	0.038	-1.334
C16	-2.123	-0.010	-0.248

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0825	2.5720	2.1420	3.9802	4.1821	3.3964	4.3037	3.8809	3.4226	2.7152	2.2825	2.7959	3.9374	3.1340	2.9029
C2	1.0825		2.1418	1.3284	2.9951	3.1917	2.3526	3.2930	2.9288	2.3844	2.1313	1.5117	2.8525	3.4970	2.8155	2.5584
H3	2.5720	2.1418		1.0818	2.7248	2.6391	2.2842	4.3094	3.8851	3.4256	3.9465	3.4063	4.9589	5.4540	4.5565	4.5679
C4	2.1420	1.3284	1.0818		2.1505	2.1803	1.5078	3.2975	2.9324	2.3872	2.9632	2.3641	4.0990	4.4260	3.6852	3.6018
H5	3.9802	2.9951	2.7248	2.1505		1.7507	1.0957	2.4197	3.0272	2.2015	3.2311	3.0562	5.2245	4.9108	4.8068	4.5002
H6	4.1821	3.1917	2.6391	2.1803	1.7507		1.0919	2.8077	2.3685	2.2091	4.0263	3.3658	5.3380	4.9442	4.3677	4.4718
C7	3.3964	2.3526	2.2842	1.5078	1.0957	1.0919		2.2119	2.1669	1.5456	3.0055	2.4710	4.5646	4.2880	3.9009	3.7770
H8	4.3037	3.2930	4.3094	3.2975	2.4197	2.8077	2.2119		1.7574	1.0897	2.3927	2.2111	4.0601	3.0390	3.5599	3.1242
H9	3.8809	2.9288	3.8851	2.9324	3.0272	2.3685	2.1669	1.7574		1.0924	3.0158	2.1634	3.6654	2.8056	2.4685	2.6083
C10	3.4226	2.3844	3.4256	2.3872	2.2015	2.2091	1.5456	1.0897	1.0924		2.1793	1.5499	3.5290	2.8532	2.8368	2.5819
H11	2.7152	2.1313	3.9465	2.9632	3.2311	4.0263	3.0055	2.3927	3.0158	2.1793		1.0979	2.4767	2.4864	3.0543	2.1356
C12	2.2825	1.5117	3.4063	2.3641	3.0562	3.3658	2.4710	2.2111	2.1634	1.5499	1.0979		2.1780	2.1742	2.1704	1.5286
H13	2.7959	2.8525	4.9589	4.0990	5.2245	5.3380	4.5646	4.0601	3.6654	3.5290	2.4767	2.1780		1.7625	1.7657	1.0917
H14	3.9374	3.4970	5.4540	4.4260	4.9108	4.9442	4.2880	3.0390	2.8056	2.8532	2.4864	2.1742	1.7625		1.7663	1.0917
H15	3.1340	2.8155	4.5565	3.6852	4.8068	4.3677	3.9009	3.5599	2.4685	2.8368	3.0543	2.1704	1.7657	1.7663		1.0919
C16	2.9029	2.5584	4.5679	3.6018	4.5002	4.4718	3.7770	3.1242	2.6083	2.5819	2.1356	1.5286	1.0917	1.0917	1.0919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.052	H1	C2	C12	122.380
C2	C4	H3	125.088	C2	C4	C7	111.936
C2	C12	C10	102.293	C2	C12	H11	108.475
C2	C12	C16	114.599	H3	C4	C7	122.931
C4	C2	C12	112.532	C4	C7	H5	110.373
C4	C7	H6	113.023	C4	C7	C10	102.847
H5	C7	H6	106.307	H5	C7	C10	111.785
H6	C7	C10	112.627	C7	C10	H8	112.993
C7	C10	H9	109.249	C7	C10	C12	105.923
H8	C10	H9	107.295	H8	C10	C12	112.618
H9	C10	C12	108.679	C10	C12	H11	109.603
C10	C12	C16	114.002	H11	C12	C16	107.675
C12	C16	H13	111.360	C12	C16	H14	111.047
C12	C16	H15	110.738	H13	C16	H14	107.655
H13	C16	H15	107.922	H14	C16	H15	107.971

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

using model chemistry: B3LYP/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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All results from a given calculation for C6H10 (Cyclopentene, 3-methyl-)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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