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	hartrees
Energy at 0K	-233.368779
Energy at 298.15K	-233.379875
Nuclear repulsion energy	233.322931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3226	3113	21.73
2	A	3196	3084	5.51
3	A	3127	3017	40.10
4	A	3112	3003	21.52
5	A	3103	2994	28.80
6	A	3085	2977	30.75
7	A	3067	2960	14.74
8	A	3043	2936	21.42
9	A	3038	2932	38.22
10	A	3019	2913	21.44
11	A	1680	1621	0.30
12	A	1566	1511	6.03
13	A	1564	1509	4.30
14	A	1552	1498	2.78
15	A	1538	1484	1.51
16	A	1460	1409	4.25
17	A	1395	1347	5.14
18	A	1365	1317	2.31
19	A	1351	1304	0.15
20	A	1341	1294	4.55
21	A	1332	1286	0.59
22	A	1255	1211	1.01
23	A	1229	1186	0.65
24	A	1170	1129	0.30
25	A	1143	1103	3.79
26	A	1126	1086	6.36
27	A	1067	1030	0.93
28	A	1010	974	0.47
29	A	989	954	0.01
30	A	977	942	3.25
31	A	940	907	0.63
32	A	894	863	3.15
33	A	852	822	1.26
34	A	827	798	2.68
35	A	774	747	0.24
36	A	748	722	38.67
37	A	604	583	7.10
38	A	499	481	3.17
39	A	346	334	0.11
40	A	284	274	0.17
41	A	241	232	0.06
42	A	94	90	0.11

Atom	x (Å)	y (Å)	z (Å)
H1	-0.306	2.218	0.149
C2	0.098	1.212	0.119
H3	2.151	1.596	-0.404
C4	1.362	0.893	-0.165
H5	2.194	-0.839	0.838
H6	2.167	-1.000	-0.927
C7	1.614	-0.608	-0.066
H8	0.097	-2.045	0.706
H9	-0.143	-1.533	-0.978
C10	0.166	-1.198	0.018
H11	-0.938	-0.042	1.536
C12	-0.760	-0.007	0.450
H13	-2.732	0.845	0.027
H14	-2.679	-0.928	-0.053
H15	-1.962	0.044	-1.361
C16	-2.120	-0.011	-0.278

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0839	2.5939	2.1532	4.0088	4.1981	3.4229	4.3178	3.9194	3.4508	2.7256	2.2903	2.7900	3.9448	3.1220	2.9054
C2	1.0839		2.1530	1.3346	3.0200	3.2043	2.3761	3.3098	2.9659	2.4136	2.1570	1.5271	2.8552	3.5094	2.7924	2.5639
H3	2.5939	2.1530		1.0833	2.7337	2.6479	2.2935	4.3249	3.9218	3.4533	3.9979	3.4309	4.9591	5.4602	4.4988	4.5650
C4	2.1532	1.3346	1.0833		2.1675	2.1931	1.5250	3.3150	2.9682	2.4160	3.0092	2.3856	4.0991	4.4331	3.6331	3.5993
H5	4.0088	3.0200	2.7337	2.1675		1.7723	1.0988	2.4226	3.0404	2.2169	3.3063	3.0936	5.2695	4.9543	4.7841	4.5326
H6	4.1981	3.2043	2.6479	2.1931	1.7723		1.0958	2.8361	2.3713	2.2219	4.0767	3.3836	5.3214	4.9241	4.2805	4.4469
C7	3.4229	2.3761	2.2935	1.5250	1.0988	1.0958		2.2272	2.1850	1.5657	3.0651	2.5024	4.5836	4.3041	3.8582	3.7870
H8	4.3178	3.3098	4.3249	3.3150	2.4226	2.8361	2.2272		1.7772	1.0931	2.4021	2.2257	4.1017	3.0870	3.5883	3.1656
H9	3.9194	2.9659	3.9218	2.9682	3.0404	2.3713	2.1850	1.7772		1.0959	3.0287	2.1793	3.6564	2.7660	2.4368	2.5908
C10	3.4508	2.4136	3.4533	2.4160	2.2169	2.2219	1.5657	1.0931	1.0959		2.2038	1.5694	3.5465	2.8582	2.8235	2.5927
H11	2.7256	2.1570	3.9979	3.0092	3.3063	4.0767	3.0651	2.4021	3.0287	2.2038		1.1003	2.5071	2.5174	3.0735	2.1653
C12	2.2903	1.5271	3.4309	2.3856	3.0936	3.3836	2.5024	2.2257	2.1793	1.5694	1.1003		2.1901	2.1867	2.1744	1.5429
H13	2.7900	2.8552	4.9591	4.0991	5.2695	5.3214	4.5836	4.1017	3.6564	3.5465	2.5071	2.1901		1.7758	1.7783	1.0965
H14	3.9448	3.5094	5.4602	4.4331	4.9543	4.9241	4.3041	3.0870	2.7660	2.8582	2.5174	2.1867	1.7758		1.7800	1.0964
H15	3.1220	2.7924	4.4988	3.6331	4.7841	4.2805	3.8582	3.5883	2.4368	2.8235	3.0735	2.1744	1.7783	1.7800		1.0957
C16	2.9054	2.5639	4.5650	3.5993	4.5326	4.4469	3.7870	3.1656	2.5908	2.5927	2.1653	1.5429	1.0965	1.0964	1.0957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.512	H1	C2	C12	121.690
C2	C4	H3	125.539	C2	C4	C7	112.214
C2	C12	C10	102.413	C2	C12	H11	109.293
C2	C12	C16	113.261	H3	C4	C7	122.207
C4	C2	C12	112.776	C4	C7	H5	110.339
C4	C7	H6	112.580	C4	C7	C10	102.821
H5	C7	H6	107.719	H5	C7	C10	111.412
H6	C7	C10	111.988	C7	C10	H8	112.580
C7	C10	H9	109.079	C7	C10	C12	105.913
H8	C10	H9	108.565	H8	C10	C12	112.192
H9	C10	C12	108.392	C10	C12	H11	110.029
C10	C12	C16	112.823	H11	C12	C16	108.857
C12	C16	H13	111.021	C12	C16	H14	110.756
C12	C16	H15	109.826	H13	C16	H14	108.150
H13	C16	H15	108.429	H14	C16	H15	108.584

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

using model chemistry: B3LYP/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	ESP
1	H	0.173	0.174
2	C	-0.133	-0.370
3	H	0.175	0.132
4	C	-0.167	-0.142
5	H	0.199	0.061
6	H	0.193	0.064
7	C	-0.415	-0.087
8	H	0.186	0.044
9	H	0.197	0.071
10	C	-0.358	-0.168
11	H	0.197	-0.002
12	C	-0.269	0.357
13	H	0.183	0.129
14	H	0.185	0.110
15	H	0.190	0.143
16	C	-0.535	-0.517

	x	y	z	Total
	-0.015	-0.132	0.076	0.153
CHELPG
AIM
ESP	-0.005	-0.113	0.061	0.129

	x	y	z
x	10.305	-0.369	-0.589
y	-0.369	8.286	-0.095
z	-0.589	-0.095	6.356

<r²>	165.832
(<r²>)^1/2	12.878

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

using model chemistry: B3LYP/3-21G

States and conformations

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