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	hartrees
Energy at 0K	-234.340392
Energy at 298.15K	-234.351525
HF Energy	-234.083985
Nuclear repulsion energy	234.635971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3240	3075	27.13
2	A	3214	3051	8.77
3	A	3148	2988	50.78
4	A	3144	2984	26.28
5	A	3139	2979	29.38
6	A	3106	2948	37.98
7	A	3081	2924	27.17
8	A	3071	2915	24.41
9	A	3054	2899	43.78
10	A	3022	2869	33.13
11	A	1696	1610	0.78
12	A	1552	1474	2.18
13	A	1549	1470	3.08
14	A	1548	1469	3.13
15	A	1532	1455	0.75
16	A	1455	1381	1.66
17	A	1422	1350	4.52
18	A	1375	1305	1.10
19	A	1362	1293	1.34
20	A	1348	1280	3.10
21	A	1329	1262	0.91
22	A	1255	1191	0.76
23	A	1229	1167	0.35
24	A	1166	1107	0.66
25	A	1142	1084	3.28
26	A	1131	1073	4.31
27	A	1092	1037	1.47
28	A	1021	969	1.30
29	A	993	943	0.98
30	A	966	917	1.32
31	A	964	915	0.13
32	A	928	881	2.39
33	A	873	829	1.25
34	A	842	799	1.37
35	A	765	726	1.69
36	A	747	709	27.40
37	A	591	561	4.33
38	A	501	476	2.08
39	A	346	329	0.03
40	A	288	274	0.12
41	A	245	233	0.04
42	A	121	115	0.09

Atom	x (Å)	y (Å)	z (Å)
H1	-0.277	2.151	-0.120
C2	0.103	1.176	0.005
H3	2.167	1.506	-0.404
C4	1.395	0.836	-0.146
H5	1.779	-0.766	1.189
H6	2.346	-1.103	-0.483
C7	1.579	-0.613	0.122
H8	-0.071	-2.138	0.121
H9	0.049	-1.061	-1.297
C10	0.161	-1.121	-0.212
H11	-0.690	-0.102	1.484
C12	-0.710	-0.006	0.391
H13	-2.719	0.824	0.303
H14	-2.655	-0.942	0.162
H15	-2.164	0.075	-1.207
C16	-2.156	-0.012	-0.118

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0540	2.5443	2.1277	3.8013	4.1958	3.3389	4.3010	3.4364	3.3034	2.7967	2.2593	2.8113	3.9122	3.0081	2.8654
C2	1.0540		2.1297	1.3441	2.8252	3.2348	2.3228	3.3209	2.5889	2.3088	2.1102	1.4864	2.8598	3.4817	2.7961	2.5559
H3	2.5443	2.1297		1.0545	2.8012	2.6164	2.2608	4.3081	3.4456	3.3112	3.7832	3.3459	4.9841	5.4377	4.6312	4.5911
C4	2.1277	1.3441	1.0545		2.1199	2.1860	1.4850	3.3260	2.5950	2.3146	2.8076	2.3294	4.1382	4.4338	3.7902	3.6509
H5	3.8013	2.8252	2.8012	2.1199		1.7975	1.0956	2.5385	3.0429	2.1691	2.5732	2.7211	4.8517	4.5545	4.6890	4.2141
H6	4.1958	3.2348	2.6164	2.1860	1.7975		1.0927	2.6968	2.4370	2.2013	3.7534	3.3617	5.4756	5.0446	4.7165	4.6465
C7	3.3389	2.3228	2.2608	1.4850	1.0956	1.0927		2.2468	2.1349	1.5433	2.6956	2.3832	4.5358	4.2475	4.0312	3.7913
H8	4.3010	3.3209	4.3081	3.3260	2.5385	2.6968	2.2468		1.7846	1.0942	2.5276	2.2415	3.9772	2.8477	3.3226	2.9875
H9	3.4364	2.5889	3.4456	2.5950	3.0429	2.4370	2.1349	1.7846		1.0928	3.0336	2.1300	3.7114	3.0749	2.4888	2.7116
C10	3.3034	2.3088	3.3112	2.3146	2.1691	2.2013	1.5433	1.0942	1.0928		2.1544	1.5378	3.5135	2.8465	2.7975	2.5709
H11	2.7967	2.1102	3.7832	2.8076	2.5732	3.7534	2.6956	2.5276	3.0336	2.1544		1.0977	2.5237	2.5135	3.0733	2.1739
C12	2.2593	1.4864	3.3459	2.3294	2.7211	3.3617	2.3832	2.2415	2.1300	1.5378	1.0977		2.1760	2.1710	2.1618	1.5336
H13	2.8113	2.8598	4.9841	4.1382	4.8517	5.4756	4.5358	3.9772	3.7114	3.5135	2.5237	2.1760		1.7731	1.7745	1.0922
H14	3.9122	3.4817	5.4377	4.4338	4.5545	5.0446	4.2475	2.8477	3.0749	2.8465	2.5135	2.1710	1.7731		1.7749	1.0922
H15	3.0081	2.7961	4.6312	3.7902	4.6890	4.7165	4.0312	3.3226	2.4888	2.7975	3.0733	2.1618	1.7745	1.7749		1.0922
C16	2.8654	2.5559	4.5911	3.6509	4.2141	4.6465	3.7913	2.9875	2.7116	2.5709	2.1739	1.5336	1.0922	1.0922	1.0922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.614	H1	C2	C12	124.716
C2	C4	H3	124.777	C2	C4	C7	110.273
C2	C12	C10	99.526	C2	C12	H11	108.557
C2	C12	C16	115.623	H3	C4	C7	124.944
C4	C2	C12	110.664	C4	C7	H5	109.534
C4	C7	H6	115.153	C4	C7	C10	99.674
H5	C7	H6	110.448	H5	C7	C10	109.389
H6	C7	C10	112.112	C7	C10	H8	115.782
C7	C10	H9	106.923	C7	C10	C12	101.335
H8	C10	H9	109.373	H8	C10	C12	115.746
H9	C10	C12	106.912	C10	C12	H11	108.504
C10	C12	C16	113.662	H11	C12	C16	110.317
C12	C16	H13	110.810	C12	C16	H14	110.420
C12	C16	H15	109.688	H13	C16	H14	108.528
H13	C16	H15	108.650	H14	C16	H15	108.692

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

using model chemistry: B2PLYP/6-31G*

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	0.148
2	C	-0.130
3	H	0.150
4	C	-0.148
5	H	0.153
6	H	0.151
7	C	-0.318
8	H	0.146
9	H	0.150
10	C	-0.302
11	H	0.147
12	C	-0.134
13	H	0.148
14	H	0.150
15	H	0.152
16	C	-0.463

	x	y	z
x	10.619	-0.345	-0.498
y	-0.345	8.687	-0.109
z	-0.498	-0.109	6.763

<r²>	164.808
(<r²>)^1/2	12.838

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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