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	hartrees
Energy at 0K	-234.664326
Energy at 298.15K	-234.675414
Nuclear repulsion energy	234.218204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3209	3094	30.92
2	A	3185	3071	9.26
3	A	3095	2984	32.34
4	A	3093	2983	57.60
5	A	3060	2950	32.71
6	A	3055	2945	41.03
7	A	3026	2918	47.52
8	A	3023	2914	10.88
9	A	2995	2888	46.02
10	A	2994	2887	27.45
11	A	1680	1620	5.97
12	A	1506	1452	8.21
13	A	1502	1448	2.99
14	A	1497	1443	0.68
15	A	1490	1436	2.32
16	A	1416	1365	3.44
17	A	1377	1328	0.43
18	A	1375	1325	4.78
19	A	1334	1286	1.82
20	A	1308	1261	0.26
21	A	1298	1251	4.44
22	A	1237	1193	0.40
23	A	1167	1125	0.20
24	A	1148	1107	2.14
25	A	1133	1092	0.24
26	A	1107	1068	2.25
27	A	1065	1027	2.66
28	A	990	954	7.94
29	A	977	942	0.87
30	A	969	934	0.08
31	A	934	901	5.84
32	A	923	890	4.89
33	A	904	872	0.69
34	A	817	788	1.35
35	A	773	746	0.60
36	A	702	676	45.22
37	A	572	552	4.39
38	A	424	409	1.03
39	A	396	381	0.08
40	A	315	304	0.04
41	A	253	244	0.01
42	A	102	99	0.16

Atom	x (Å)	y (Å)	z (Å)
H1	-2.444	-1.293	-0.145
C2	-1.558	-0.669	-0.067
H3	-2.444	1.293	-0.145
C4	-1.558	0.669	-0.066
H5	0.145	-1.630	-0.985
H6	-0.052	-2.058	0.711
C7	-0.155	-1.231	-0.003
H8	-0.051	2.059	0.710
H9	0.145	1.629	-0.986
C10	-0.155	1.231	-0.003
H11	0.787	0.000	1.490
C12	0.710	0.000	0.394
H13	2.687	-0.885	0.127
H14	2.687	0.885	0.126
H15	2.092	-0.000	-1.288
C16	2.123	-0.000	-0.191

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0864	2.5857	2.1544	2.7424	2.6532	2.2941	4.2056	3.9931	3.4101	3.8450	3.4507	5.1542	5.5803	4.8525	4.7463
C2	1.0864		2.1544	1.3386	2.1600	2.1910	1.5123	3.2114	3.0042	2.3628	2.8929	2.4087	4.2545	4.5242	3.9060	3.7429
H3	2.5857	2.1544		1.0864	3.9940	4.2050	3.4101	2.6535	2.7426	2.2943	3.8448	3.4508	5.5805	5.1543	4.8530	4.7465
C4	2.1544	1.3386	1.0864		3.0050	3.2110	2.3628	2.1913	2.1598	1.5124	2.8928	2.4087	4.5243	4.2545	3.9062	3.7430
H5	2.7424	2.1600	3.9940	3.0050		1.7599	1.1017	4.0640	3.2591	3.0396	3.0323	2.2087	2.8726	3.7441	2.5567	2.6828
H6	2.6532	2.1910	4.2050	3.2110	1.7599		1.0972	4.1168	4.0635	3.3672	2.3554	2.2173	3.0365	4.0625	3.5812	3.1272
C7	2.2941	1.5123	3.4101	2.3628	1.1017	1.0972		3.3675	3.0391	2.4619	2.1521	1.5559	2.8659	3.5453	2.8660	2.5960
H8	4.2056	3.2114	2.6535	2.1913	4.0640	4.1168	3.3675		1.7599	1.0971	2.3558	2.2174	4.0623	3.0361	3.5810	3.1269
H9	3.9931	3.0042	2.7426	2.1598	3.2591	4.0635	3.0391	1.7599		1.1018	3.0324	2.2085	3.7441	2.8727	2.5567	2.6828
C10	3.4101	2.3628	2.2943	1.5124	3.0396	3.3672	2.4619	1.0971	1.1018		2.1521	1.5558	3.5452	2.8658	2.8661	2.5959
H11	3.8450	2.8929	3.8448	2.8928	3.0323	2.3554	2.1521	2.3558	3.0324	2.1521		1.0985	2.5005	2.5007	3.0693	2.1476
C12	3.4507	2.4087	3.4508	2.4087	2.2087	2.2173	1.5559	2.2174	2.2085	1.5558	1.0985		2.1827	2.1827	2.1772	1.5297
H13	5.1542	4.2545	5.5805	4.5243	2.8726	3.0365	2.8659	4.0623	3.7441	3.5452	2.5005	2.1827		1.7693	1.7712	1.0963
H14	5.5803	4.5242	5.1543	4.2545	3.7441	4.0625	3.5453	3.0361	2.8727	2.8658	2.5007	2.1827	1.7693		1.7712	1.0963
H15	4.8525	3.9060	4.8530	3.9062	2.5567	3.5812	2.8660	3.5810	2.5567	2.8661	3.0693	2.1772	1.7712	1.7712		1.0971
C16	4.7463	3.7429	4.7465	3.7430	2.6828	3.1272	2.5960	3.1269	2.6828	2.5959	2.1476	1.5297	1.0963	1.0963	1.0971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.025	H1	C2	C7	123.121
C2	C4	H3	125.024	C2	C4	C10	111.795
C2	C7	H5	110.456	C2	C7	H6	113.241
C2	C7	C12	103.438	H3	C4	C10	123.132
C4	C2	C7	111.806	C4	C10	H8	113.261
C4	C10	H9	110.426	C4	C10	C12	103.439
H5	C7	H6	106.324	H5	C7	C12	111.264
H6	C7	C12	112.228	C7	C12	C10	104.591
C7	C12	H11	107.081	C7	C12	C16	114.556
H8	C10	H9	106.323	H8	C10	C12	112.246
H9	C10	C12	111.255	C10	C12	H11	107.085
C10	C12	C16	114.558	H11	C12	C16	108.487
C12	C16	H13	111.372	C12	C16	H14	111.373
C12	C16	H15	110.893	H13	C16	H14	107.599
H13	C16	H15	107.713	H14	C16	H15	107.714

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

using model chemistry: B3LYP/6-31+G**

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	ESP
1	H	0.120	0.140
2	C	-0.021	-0.252
3	H	0.120	0.140
4	C	-0.021	-0.252
5	H	0.146	0.024
6	H	0.142	0.003
7	C	-0.526	0.053
8	H	0.142	0.003
9	H	0.146	0.024
10	C	-0.526	0.053
11	H	0.138	0.003
12	C	0.304	0.190
13	H	0.142	0.083
14	H	0.142	0.083
15	H	0.144	0.096
16	C	-0.592	-0.391

	x	y	z	Total
	0.261	-0.000	0.018	0.262
CHELPG
AIM
ESP	0.222	0.000	0.004	0.222

	x	y	z
x	10.933	-0.001	-0.032
y	-0.001	11.304	0.005
z	-0.032	0.005	8.267

<r²>	165.598
(<r²>)^1/2	12.868

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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