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	hartrees
Energy at 0K	-234.340241
Energy at 298.15K	-234.351403
HF Energy	-234.083837
Nuclear repulsion energy	234.830548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3078	31.34
2	A'	3142	2983	49.12
3	A'	3105	2947	38.37
4	A'	3070	2914	35.97
5	A'	3066	2910	11.20
6	A'	3038	2884	24.44
7	A'	1698	1612	2.38
8	A'	1552	1473	6.41
9	A'	1544	1465	0.20
10	A'	1458	1384	1.97
11	A'	1410	1338	3.53
12	A'	1337	1269	0.19
13	A'	1268	1203	0.32
14	A'	1154	1095	0.26
15	A'	1133	1076	1.00
16	A'	1091	1036	1.63
17	A'	995	945	0.52
18	A'	956	907	4.18
19	A'	837	794	1.14
20	A'	713	676	31.32
21	A'	576	547	3.32
22	A'	430	408	0.87
23	A'	114	108	0.05
24	A"	3219	3055	8.71
25	A"	3143	2983	27.90
26	A"	3100	2943	34.72
27	A"	3039	2884	41.57
28	A"	1548	1469	1.97
29	A"	1536	1458	0.45
30	A"	1406	1335	0.10
31	A"	1369	1299	2.38
32	A"	1324	1256	3.81
33	A"	1194	1133	0.00
34	A"	1173	1113	2.34
35	A"	1011	960	6.32
36	A"	968	919	0.01
37	A"	943	895	3.60
38	A"	924	877	0.17
39	A"	782	743	0.36
40	A"	398	378	0.08
41	A"	317	301	0.07
42	A"	258	245	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.260	2.110	0.000
C2	-0.368	0.718	0.000
C3	0.006	-0.152	1.229
C4	0.006	-0.152	-1.229
C5	0.006	-1.556	0.669
C6	0.006	-1.556	-0.669
H7	-0.041	2.681	0.884
H8	-0.041	2.681	-0.884
H9	1.353	2.042	0.000
H10	-1.459	0.827	0.000
H11	1.001	0.109	1.616
H12	1.001	0.109	-1.616
H13	-0.697	-0.018	2.060
H14	-0.697	-0.018	-2.060
H15	0.045	-2.441	1.297
H16	0.045	-2.441	-1.297

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5267	2.5868	2.5868	3.7349	3.7349	1.0949	1.0949	1.0953	2.1446	2.6764	2.6764	3.1116	3.1116	4.7371	4.7371
C2	1.5267		1.5515	1.5515	2.3994	2.3994	2.1778	2.1778	2.1711	1.0966	2.2035	2.2035	2.2116	2.2116	3.4398	3.4398
C3	2.5868	1.5515		2.4585	1.5115	2.3609	2.8545	3.5350	2.8532	2.1479	1.0997	3.0257	1.0958	3.3657	2.2906	3.4092
C4	2.5868	1.5515	2.4585		2.3609	1.5115	3.5350	2.8545	2.8532	2.1479	3.0257	1.0997	3.3657	1.0958	3.4092	2.2906
C5	3.7349	2.3994	1.5115	2.3609		1.3379	4.2428	4.5130	3.8999	2.8755	2.1590	2.9975	2.1894	3.2102	1.0860	2.1562
C6	3.7349	2.3994	2.3609	1.5115	1.3379		4.5130	4.2428	3.8999	2.8755	2.9975	2.1590	3.2102	2.1894	2.1562	1.0860
H7	1.0949	2.1778	2.8545	3.5350	4.2428	4.5130		1.7686	1.7700	2.4962	2.8698	3.7352	3.0157	4.0472	5.1397	5.5681
H8	1.0949	2.1778	3.5350	2.8545	4.5130	4.2428	1.7686		1.7700	2.4962	3.7352	2.8698	4.0472	3.0157	5.5681	5.1397
H9	1.0953	2.1711	2.8532	2.8532	3.8999	3.8999	1.7700	1.7700		3.0631	2.5437	2.5437	3.5616	3.5616	4.8471	4.8471
H10	2.1446	1.0966	2.1479	2.1479	2.8755	2.8755	2.4962	2.4962	3.0631		3.0295	3.0295	2.3528	2.3528	3.8239	3.8239
H11	2.6764	2.2035	1.0997	3.0257	2.1590	2.9975	2.8698	3.7352	2.5437	3.0295		3.2318	1.7596	4.0508	2.7428	3.9879
H12	2.6764	2.2035	3.0257	1.0997	2.9975	2.1590	3.7352	2.8698	2.5437	3.0295	3.2318		4.0508	1.7596	3.9879	2.7428
H13	3.1116	2.2116	1.0958	3.3657	2.1894	3.2102	3.0157	4.0472	3.5616	2.3528	1.7596	4.0508		4.1193	2.6470	4.2058
H14	3.1116	2.2116	3.3657	1.0958	3.2102	2.1894	4.0472	3.0157	3.5616	2.3528	4.0508	1.7596	4.1193		4.2058	2.6470
H15	4.7371	3.4398	2.2906	3.4092	1.0860	2.1562	5.1397	5.5681	4.8471	3.8239	2.7428	3.9879	2.6470	4.2058		2.5932
H16	4.7371	3.4398	3.4092	2.2906	2.1562	1.0860	5.5681	5.1397	4.8471	3.8239	3.9879	2.7428	4.2058	2.6470	2.5932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	114.355	H1	C2	C7	27.934
C2	C4	H3	37.600	C2	C4	C10	29.197
C2	C7	H5	23.190	C2	C7	H6	10.088
C2	C7	C12	31.720	H3	C4	C10	55.089
C4	C2	C7	142.289	C4	C10	H8	75.437
C4	C10	H9	63.579	C4	C10	C12	14.806
H5	C7	H6	17.222	H5	C7	C12	43.561
H6	C7	C12	28.395	C7	C12	C10	41.697
C7	C12	H11	47.982	C7	C12	C16	117.716
H8	C10	H9	35.299	H8	C10	C12	61.688
H9	C10	C12	49.352	C10	C12	H11	57.765
C10	C12	C16	82.816	H11	C12	C16	83.315
C12	C16	H13	67.570	C12	C16	H14	38.057
C12	C16	H15	96.685	H13	C16	H14	69.693
H13	C16	H15	37.060	H14	C16	H15	106.754

All results from a given calculation for C₆H₁₀ (Cyclopentene, 4-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	C	-0.465
2	C	-0.113
3	C	-0.316
4	C	-0.316
5	C	-0.141
6	C	-0.141
7	H	0.150
8	H	0.150
9	H	0.148
10	H	0.148
11	H	0.150
12	H	0.150
13	H	0.150
14	H	0.150
15	H	0.149
16	H	0.149

	x	y	z
x	6.607	0.023	0.000
y	0.023	9.374	0.000
z	0.000	0.000	9.881

<r²>	164.260
(<r²>)^1/2	12.816

All results from a given calculation for C6H10 (Cyclopentene, 4-methyl-)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 4-methyl-)