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	hartrees
Energy at 0K	-234.307493
Energy at 298.15K	-234.318420
Nuclear repulsion energy	233.679618

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3144	3092	34.71
2	A	3119	3068	9.48
3	A	3050	2999	24.75
4	A	3046	2996	44.23
5	A	3003	2953	34.52
6	A	2998	2949	36.94
7	A	2974	2925	36.76
8	A	2965	2916	11.56
9	A	2931	2883	26.65
10	A	2931	2882	42.05
11	A	1650	1623	3.30
12	A	1483	1459	7.03
13	A	1480	1455	2.43
14	A	1470	1446	0.43
15	A	1462	1438	0.85
16	A	1388	1365	2.24
17	A	1346	1324	0.08
18	A	1342	1320	4.65
19	A	1304	1282	1.81
20	A	1276	1255	0.11
21	A	1259	1238	3.43
22	A	1210	1190	0.39
23	A	1142	1124	0.06
24	A	1122	1104	2.50
25	A	1106	1088	0.23
26	A	1087	1069	0.40
27	A	1047	1030	1.27
28	A	973	957	9.25
29	A	970	954	0.25
30	A	925	910	0.04
31	A	912	897	4.51
32	A	911	896	3.79
33	A	884	870	0.00
34	A	810	797	1.34
35	A	756	743	0.41
36	A	682	670	30.93
37	A	556	547	3.75
38	A	414	407	1.29
39	A	386	380	0.14
40	A	303	298	0.10
41	A	244	240	0.02
42	A	107	105	0.08

Atom	x (Å)	y (Å)	z (Å)
H1	2.452	1.304	-0.128
C2	1.560	0.673	-0.058
H3	2.452	-1.304	-0.128
C4	1.560	-0.673	-0.058
H5	-0.141	1.617	-1.013
H6	0.037	2.077	0.689
C7	0.155	1.231	-0.014
H8	0.037	-2.077	0.688
H9	-0.141	-1.617	-1.013
C10	0.155	-1.231	-0.014
H11	-0.770	-0.000	1.497
C12	-0.708	-0.000	0.391
H13	-2.693	0.891	0.145
H14	-2.693	-0.891	0.145
H15	-2.107	-0.000	-1.285
C16	-2.127	-0.000	-0.180

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0952	2.6082	2.1699	2.7577	2.6638	2.3008	4.2342	4.0046	3.4224	3.8370	3.4574	5.1688	5.6004	4.8807	4.7611
C2	1.0952		2.1699	1.3454	2.1671	2.2017	1.5121	3.2304	3.0077	2.3660	2.8807	2.4075	4.2634	4.5359	3.9246	3.7495
H3	2.6082	2.1699		1.0952	4.0046	4.2342	3.4224	2.6638	2.7577	2.3008	3.8370	3.4574	5.6004	5.1689	4.8807	4.7611
C4	2.1699	1.3454	1.0952		3.0077	3.2304	2.3660	2.2017	2.1671	1.5121	2.8807	2.4075	4.5359	4.2634	3.9246	3.7495
H5	2.7577	2.1671	4.0046	3.0077		1.7717	1.1113	4.0702	3.2331	3.0319	3.0508	2.2150	2.8947	3.7604	2.5594	2.6926
H6	2.6638	2.2017	4.2342	3.2304	1.7717		1.1059	4.1533	4.0702	3.3831	2.3700	2.2260	3.0258	4.0689	3.5782	3.1223
C7	2.3008	1.5121	3.4224	2.3660	1.1113	1.1059		3.3831	3.0319	2.4613	2.1570	1.5566	2.8728	3.5552	2.8717	2.5979
H8	4.2342	3.2304	2.6638	2.2017	4.0702	4.1533	3.3831		1.7717	1.1059	2.3700	2.2260	4.0689	3.0258	3.5782	3.1223
H9	4.0046	3.0077	2.7577	2.1671	3.2331	4.0702	3.0319	1.7717		1.1113	3.0509	2.2150	3.7604	2.8947	2.5595	2.6926
C10	3.4224	2.3660	2.3008	1.5121	3.0319	3.3831	2.4613	1.1059	1.1113		2.1570	1.5566	3.5552	2.8729	2.8717	2.5980
H11	3.8370	2.8807	3.8370	2.8807	3.0508	2.3700	2.1570	2.3700	3.0509	2.1570		1.1073	2.5140	2.5140	3.0863	2.1567
C12	3.4574	2.4075	3.4574	2.4075	2.2150	2.2260	1.5566	2.2260	2.2150	1.5566	1.1073		2.1902	2.1902	2.1835	1.5298
H13	5.1688	4.2634	5.6004	4.5359	2.8947	3.0258	2.8728	4.0689	3.7604	3.5552	2.5140	2.1902		1.7819	1.7837	1.1044
H14	5.6004	4.5359	5.1689	4.2634	3.7604	4.0689	3.5552	3.0258	2.8947	2.8729	2.5140	2.1902	1.7819		1.7837	1.1044
H15	4.8807	3.9246	4.8807	3.9246	2.5594	3.5782	2.8717	3.5782	2.5595	2.8717	3.0863	2.1835	1.7837	1.7837		1.1055
C16	4.7611	3.7495	4.7611	3.7495	2.6926	3.1223	2.5979	3.1223	2.6926	2.5980	2.1567	1.5298	1.1044	1.1044	1.1055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.205	H1	C2	C7	123.085
C2	C4	H3	125.205	C2	C4	C10	111.652
C2	C7	H5	110.464	C2	C7	H6	113.579
C2	C7	C12	103.344	H3	C4	C10	123.084
C4	C2	C7	111.652	C4	C10	H8	113.577
C4	C10	H9	110.465	C4	C10	C12	103.344
H5	C7	H6	106.077	H5	C7	C12	111.146
H6	C7	C12	112.349	C7	C12	C10	104.481
C7	C12	H11	106.926	C7	C12	C16	114.649
H8	C10	H9	106.077	H8	C10	C12	112.348
H9	C10	C12	111.147	C10	C12	H11	106.926
C10	C12	C16	114.649	H11	C12	C16	108.685
C12	C16	H13	111.474	C12	C16	H14	111.474
C12	C16	H15	110.879	H13	C16	H14	107.553
H13	C16	H15	107.635	H14	C16	H15	107.635

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

using model chemistry: PBEPBEultrafine/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	0.130
2	C	-0.112
3	H	0.130
4	C	-0.112
5	H	0.154
6	H	0.152
7	C	-0.333
8	H	0.152
9	H	0.154
10	C	-0.333
11	H	0.149
12	C	-0.103
13	H	0.156
14	H	0.156
15	H	0.154
16	C	-0.494

	x	y	z	Total
	-0.184	0.000	0.015	0.185
CHELPG
AIM
ESP

	x	y	z
x	9.912	0.000	-0.048
y	0.000	10.282	0.000
z	-0.048	0.000	6.824

<r²>	165.384
(<r²>)^1/2	12.860

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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