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	hartrees
Energy at 0K	-234.723843
Energy at 298.15K	-234.734956
HF Energy	-234.723843
Nuclear repulsion energy	234.710093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3195	3084	22.28
2	A	3170	3060	7.70
3	A	3091	2984	59.90
4	A	3085	2979	10.25
5	A	3085	2978	39.30
6	A	3054	2948	41.76
7	A	3034	2929	28.30
8	A	3022	2917	25.49
9	A	3004	2900	42.99
10	A	2972	2869	29.72
11	A	1676	1618	2.03
12	A	1507	1455	3.93
13	A	1503	1451	5.48
14	A	1501	1449	4.24
15	A	1489	1438	1.62
16	A	1417	1368	2.68
17	A	1388	1340	6.22
18	A	1346	1300	1.22
19	A	1330	1284	0.46
20	A	1317	1271	2.94
21	A	1308	1263	1.10
22	A	1232	1190	1.07
23	A	1204	1162	0.53
24	A	1146	1106	0.77
25	A	1123	1084	3.98
26	A	1109	1070	6.36
27	A	1068	1031	1.62
28	A	997	962	1.38
29	A	980	946	0.34
30	A	966	933	2.16
31	A	944	912	0.95
32	A	906	875	3.74
33	A	854	825	1.90
34	A	825	796	1.57
35	A	762	736	0.60
36	A	740	714	38.70
37	A	591	571	5.48
38	A	500	482	2.47
39	A	344	332	0.04
40	A	290	280	0.11
41	A	239	230	0.03
42	A	115	111	0.12

Atom	x (Å)	y (Å)	z (Å)
H1	-0.274	2.146	-0.121
C2	0.104	1.174	0.004
H3	2.161	1.505	-0.403
C4	1.392	0.836	-0.146
H5	1.781	-0.760	1.186
H6	2.345	-1.099	-0.484
C7	1.580	-0.610	0.121
H8	-0.067	-2.138	0.126
H9	0.049	-1.067	-1.294
C10	0.162	-1.124	-0.209
H11	-0.689	-0.098	1.482
C12	-0.709	-0.006	0.389
H13	-2.718	0.825	0.302
H14	-2.656	-0.940	0.164
H15	-2.167	0.074	-1.206
C16	-2.157	-0.011	-0.118

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0505	2.5343	2.1202	3.7918	4.1864	3.3308	4.2965	3.4364	3.3004	2.7885	2.2541	2.8099	3.9084	3.0094	2.8636
C2	1.0505		2.1226	1.3401	2.8195	3.2293	2.3185	3.3191	2.5910	2.3089	2.1050	1.4841	2.8590	3.4803	2.7989	2.5562
H3	2.5343	2.1226		1.0511	2.7929	2.6113	2.2552	4.3031	3.4454	3.3082	3.7741	3.3387	4.9761	5.4313	4.6286	4.5853
C4	2.1202	1.3401	1.0511		2.1147	2.1831	1.4824	3.3239	2.5971	2.3148	2.8021	2.3259	4.1342	4.4310	3.7911	3.6489
H5	3.7918	2.8195	2.7929	2.1147		1.7957	1.0946	2.5374	3.0405	2.1682	2.5738	2.7208	4.8505	4.5560	4.6905	4.2150
H6	4.1864	3.2293	2.6113	2.1831	1.7957		1.0913	2.6971	2.4352	2.2008	3.7514	3.3595	5.4728	5.0454	4.7176	4.6461
C7	3.3308	2.3185	2.2552	1.4824	1.0946	1.0913		2.2466	2.1339	1.5437	2.6947	2.3823	4.5342	4.2484	4.0329	3.7918
H8	4.2965	3.3191	4.3031	3.3239	2.5374	2.6971	2.2466		1.7822	1.0926	2.5269	2.2420	3.9790	2.8524	3.3276	2.9913
H9	3.4364	2.5910	3.4454	2.5971	3.0405	2.4352	2.1339	1.7822		1.0917	3.0311	2.1292	3.7122	3.0752	2.4938	2.7134
C10	3.3004	2.3089	3.3082	2.3148	2.1682	2.2008	1.5437	1.0926	1.0917		2.1532	1.5384	3.5143	2.8482	2.8017	2.5734
H11	2.7885	2.1050	3.7741	2.8021	2.5738	3.7514	2.6947	2.5269	3.0311	2.1532		1.0966	2.5215	2.5123	3.0718	2.1729
C12	2.2541	1.4841	3.3387	2.3259	2.7208	3.3595	2.3823	2.2420	2.1292	1.5384	1.0966		2.1753	2.1707	2.1623	1.5342
H13	2.8099	2.8590	4.9761	4.1342	4.8505	5.4728	4.5342	3.9790	3.7122	3.5143	2.5215	2.1753		1.7708	1.7724	1.0909
H14	3.9084	3.4803	5.4313	4.4310	4.5560	5.0454	4.2484	2.8524	3.0752	2.8482	2.5123	2.1707	1.7708		1.7729	1.0910
H15	3.0094	2.7989	4.6286	3.7911	4.6905	4.7176	4.0329	3.3276	2.4938	2.8017	3.0718	2.1623	1.7724	1.7729		1.0911
C16	2.8636	2.5562	4.5853	3.6489	4.2150	4.6461	3.7918	2.9913	2.7134	2.5734	2.1729	1.5342	1.0909	1.0910	1.0911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.526	H1	C2	C12	124.689
C2	C4	H3	124.728	C2	C4	C7	110.357
C2	C12	C10	99.602	C2	C12	H11	108.370
C2	C12	C16	115.740	H3	C4	C7	124.910
C4	C2	C12	110.779	C4	C7	H5	109.368
C4	C7	H6	115.200	C4	C7	C10	99.785
H5	C7	H6	110.467	H5	C7	C10	109.352
H6	C7	C10	112.137	C7	C10	H8	115.840
C7	C10	H9	106.882	C7	C10	C12	101.238
H8	C10	H9	109.360	H8	C10	C12	115.858
H9	C10	C12	106.874	C10	C12	H11	108.442
C10	C12	C16	113.766	H11	C12	C16	110.262
C12	C16	H13	110.794	C12	C16	H14	110.424
C12	C16	H15	109.753	H13	C16	H14	108.507
H13	C16	H15	108.635	H14	C16	H15	108.675

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

using model chemistry: B3LYP/TZVP

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	0.120
2	C	-0.174
3	H	0.121
4	C	-0.128
5	H	0.119
6	H	0.121
7	C	-0.211
8	H	0.122
9	H	0.127
10	C	-0.308
11	H	0.125
12	C	-0.006
13	H	0.117
14	H	0.118
15	H	0.111
16	C	-0.375

	x	y	z	Total
	-0.007	-0.197	0.165	0.258
CHELPG
AIM
ESP

	x	y	z
x	12.235	-0.339	-0.384
y	-0.339	10.002	-0.051
z	-0.384	-0.051	8.238

<r²>	165.265
(<r²>)^1/2	12.856

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

using model chemistry: B3LYP/TZVP

States and conformations

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