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	hartrees
Energy at 0K	-234.321217
Energy at 298.15K	-234.332144
Nuclear repulsion energy	233.759227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3147	3104	31.62
2	A	3122	3079	7.84
3	A	3054	3013	23.34
4	A	3050	3008	41.57
5	A	3006	2965	34.14
6	A	3001	2960	33.72
7	A	2974	2933	36.32
8	A	2969	2928	8.11
9	A	2933	2893	26.00
10	A	2932	2892	42.54
11	A	1648	1625	3.43
12	A	1466	1446	6.35
13	A	1462	1442	2.12
14	A	1451	1432	0.49
15	A	1443	1424	1.01
16	A	1372	1353	2.34
17	A	1338	1320	0.12
18	A	1332	1313	4.54
19	A	1294	1276	1.79
20	A	1267	1250	0.11
21	A	1251	1234	3.08
22	A	1201	1185	0.39
23	A	1136	1121	0.04
24	A	1115	1100	2.40
25	A	1103	1088	0.23
26	A	1083	1068	0.32
27	A	1040	1026	1.39
28	A	970	956	9.95
29	A	968	955	0.23
30	A	928	915	0.05
31	A	907	894	3.59
32	A	905	893	4.66
33	A	880	868	0.00
34	A	807	796	1.33
35	A	755	745	0.42
36	A	681	672	29.36
37	A	556	549	3.75
38	A	409	404	1.28
39	A	384	379	0.14
40	A	306	301	0.09
41	A	249	246	0.01
42	A	99	98	0.09

Atom	x (Å)	y (Å)	z (Å)
H1	2.450	1.303	-0.136
C2	1.559	0.673	-0.061
H3	2.450	-1.303	-0.136
C4	1.559	-0.673	-0.061
H5	-0.144	1.622	-1.004
H6	0.041	2.074	0.696
C7	0.155	1.231	-0.009
H8	0.041	-2.074	0.696
H9	-0.144	-1.622	-1.004
C10	0.155	-1.231	-0.009
H11	-0.776	-0.000	1.498
C12	-0.709	-0.000	0.393
H13	-2.693	0.890	0.136
H14	-2.693	-0.890	0.136
H15	-2.098	-0.000	-1.288
C16	-2.125	-0.000	-0.184

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0942	2.6050	2.1683	2.7542	2.6629	2.2998	4.2302	4.0044	3.4208	3.8435	3.4576	5.1666	5.5973	4.8690	4.7570
C2	1.0942		2.1683	1.3453	2.1655	2.1999	1.5115	3.2277	3.0088	2.3657	2.8865	2.4082	4.2615	4.5337	3.9149	3.7463
H3	2.6050	2.1683		1.0942	4.0044	4.2302	3.4208	2.6629	2.7542	2.2998	3.8434	3.4576	5.5973	5.1666	4.8690	4.7570
C4	2.1683	1.3453	1.0942		3.0088	3.2277	2.3657	2.1999	2.1655	1.5114	2.8865	2.4082	4.5337	4.2615	3.9149	3.7463
H5	2.7542	2.1655	4.0044	3.0088		1.7693	1.1102	4.0721	3.2436	3.0361	3.0477	2.2141	2.8864	3.7554	2.5549	2.6880
H6	2.6629	2.1999	4.2302	3.2277	1.7693		1.1048	4.1471	4.0721	3.3809	2.3683	2.2256	3.0315	4.0705	3.5795	3.1251
C7	2.2998	1.5115	3.4208	2.3657	1.1102	1.1048		3.3809	3.0361	2.4619	2.1568	1.5566	2.8718	3.5536	2.8681	2.5968
H8	4.2302	3.2277	2.6629	2.1999	4.0721	4.1471	3.3809		1.7693	1.1048	2.3683	2.2256	4.0705	3.0315	3.5795	3.1251
H9	4.0044	3.0088	2.7542	2.1655	3.2436	4.0721	3.0361	1.7693		1.1102	3.0477	2.2141	3.7554	2.8865	2.5549	2.6881
C10	3.4208	2.3657	2.2998	1.5114	3.0361	3.3809	2.4619	1.1048	1.1102		2.1568	1.5566	3.5536	2.8718	2.8681	2.5968
H11	3.8435	2.8865	3.8434	2.8865	3.0477	2.3683	2.1568	2.3683	3.0477	2.1568		1.1062	2.5142	2.5142	3.0836	2.1561
C12	3.4576	2.4082	3.4576	2.4082	2.2141	2.2256	1.5566	2.2256	2.2141	1.5566	1.1062		2.1897	2.1897	2.1811	1.5295
H13	5.1666	4.2615	5.5973	4.5337	2.8864	3.0315	2.8718	4.0705	3.7554	3.5536	2.5142	2.1897		1.7794	1.7815	1.1031
H14	5.5973	4.5337	5.1666	4.2615	3.7554	4.0705	3.5536	3.0315	2.8865	2.8718	2.5142	2.1897	1.7794		1.7815	1.1031
H15	4.8690	3.9149	4.8690	3.9149	2.5549	3.5795	2.8681	3.5795	2.5549	2.8681	3.0836	2.1811	1.7815	1.7815		1.1042
C16	4.7570	3.7463	4.7570	3.7463	2.6880	3.1251	2.5968	3.1251	2.6881	2.5968	2.1561	1.5295	1.1031	1.1031	1.1042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.146	H1	C2	C7	123.120
C2	C4	H3	125.146	C2	C4	C10	111.677
C2	C7	H5	110.444	C2	C7	H6	113.547
C2	C7	C12	103.418	H3	C4	C10	123.120
C4	C2	C7	111.677	C4	C10	H8	113.546
C4	C10	H9	110.445	C4	C10	C12	103.418
H5	C7	H6	106.027	H5	C7	C12	111.142
H6	C7	C12	112.381	C7	C12	C10	104.515
C7	C12	H11	106.963	C7	C12	C16	114.584
H8	C10	H9	106.027	H8	C10	C12	112.381
H9	C10	C12	111.143	C10	C12	H11	106.963
C10	C12	C16	114.585	H11	C12	C16	108.716
C12	C16	H13	111.537	C12	C16	H14	111.537
C12	C16	H15	110.788	H13	C16	H14	107.528
H13	C16	H15	107.629	H14	C16	H15	107.629

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

using model chemistry: PBEPBE/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	0.089
2	C	-0.080
3	H	0.089
4	C	-0.080
5	H	0.117
6	H	0.114
7	C	-0.241
8	H	0.114
9	H	0.117
10	C	-0.241
11	H	0.116
12	C	-0.099
13	H	0.117
14	H	0.117
15	H	0.117
16	C	-0.368

	x	y	z	Total
	-0.205	0.000	0.011	0.205
CHELPG
AIM
ESP

	x	y	z
x	10.035	0.000	-0.057
y	0.000	10.383	0.000
z	-0.057	0.000	6.908

<r²>	165.266
(<r²>)^1/2	12.856

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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