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	hartrees
Energy at 0K	-234.510406
Energy at 298.15K	-234.521338
Nuclear repulsion energy	232.859900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3122	3105	36.22
2	A	3096	3079	9.90
3	A	3014	2997	28.45
4	A	3013	2996	52.13
5	A	2971	2954	41.67
6	A	2964	2947	41.91
7	A	2951	2935	36.82
8	A	2939	2923	7.37
9	A	2908	2892	27.58
10	A	2908	2892	44.39
11	A	1625	1616	3.91
12	A	1466	1458	4.17
13	A	1462	1454	1.23
14	A	1455	1447	0.17
15	A	1448	1440	0.21
16	A	1375	1367	0.52
17	A	1334	1326	0.01
18	A	1327	1319	4.84
19	A	1291	1284	1.46
20	A	1272	1265	0.77
21	A	1255	1248	3.67
22	A	1202	1195	0.39
23	A	1129	1123	0.12
24	A	1109	1103	1.99
25	A	1104	1098	0.20
26	A	1075	1070	1.48
27	A	1032	1026	1.54
28	A	962	957	5.81
29	A	949	943	0.27
30	A	934	929	0.04
31	A	911	906	3.77
32	A	899	894	3.42
33	A	878	873	0.92
34	A	788	784	0.71
35	A	752	748	0.30
36	A	689	685	23.33
37	A	563	560	2.72
38	A	412	410	0.66
39	A	383	381	0.06
40	A	308	306	0.08
41	A	247	245	0.01
42	A	96	95	0.06

Atom	x (Å)	y (Å)	z (Å)
H1	2.449	1.302	-0.175
C2	1.563	0.671	-0.080
H3	2.449	-1.302	-0.175
C4	1.563	-0.671	-0.080
H5	-0.157	1.669	-0.958
H6	0.070	2.061	0.748
C7	0.158	1.241	0.015
H8	0.070	-2.061	0.748
H9	-0.157	-1.669	-0.958
C10	0.158	-1.241	0.015
H11	-0.814	-0.000	1.502
C12	-0.718	-0.000	0.403
H13	-2.703	0.889	0.099
H14	-2.703	-0.889	0.099
H15	-2.081	-0.000	-1.312
C16	-2.129	-0.000	-0.210

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0915	2.6046	2.1652	2.7450	2.6623	2.2989	4.2220	4.0285	3.4281	3.8930	3.4722	5.1752	5.6050	4.8479	4.7596
C2	1.0915		2.1652	1.3425	2.1735	2.2019	1.5190	3.2222	3.0340	2.3750	2.9335	2.4262	4.2752	4.5459	3.9046	3.7551
H3	2.6046	2.1652		1.0915	4.0284	4.2220	3.4281	2.6623	2.7450	2.2989	3.8930	3.4722	5.6049	5.1752	4.8479	4.7595
C4	2.1652	1.3425	1.0915		3.0339	3.2222	2.3750	2.2018	2.1735	1.5190	2.9335	2.4262	4.5459	4.2752	3.9046	3.7551
H5	2.7450	2.1735	4.0284	3.0339		1.7653	1.1083	4.1079	3.3376	3.0846	3.0446	2.2251	2.8646	3.7607	2.5713	2.6897
H6	2.6623	2.2019	4.2220	3.2222	1.7653		1.1036	4.1224	4.1080	3.3842	2.3661	2.2335	3.0793	4.1006	3.6218	3.1626
C7	2.2989	1.5190	3.4281	2.3750	1.1083	1.1036		3.3842	3.0846	2.4827	2.1678	1.5682	2.8839	3.5684	2.8836	2.6123
H8	4.2220	3.2222	2.6623	2.2018	4.1079	4.1224	3.3842		1.7653	1.1036	2.3661	2.2334	4.1006	3.0793	3.6219	3.1626
H9	4.0285	3.0340	2.7450	2.1735	3.3376	4.1080	3.0846	1.7653		1.1083	3.0446	2.2251	3.7607	2.8647	2.5713	2.6898
C10	3.4281	2.3750	2.2989	1.5190	3.0846	3.3842	2.4827	1.1036	1.1083		2.1678	1.5682	3.5684	2.8840	2.8836	2.6124
H11	3.8930	2.9335	3.8930	2.9335	3.0446	2.3661	2.1678	2.3661	3.0446	2.1678		1.1038	2.5156	2.5156	3.0863	2.1590
C12	3.4722	2.4262	3.4722	2.4262	2.2251	2.2335	1.5682	2.2334	2.2251	1.5682	1.1038		2.1962	2.1962	2.1904	1.5386
H13	5.1752	4.2752	5.6049	4.5459	2.8646	3.0793	2.8839	4.1006	3.7607	3.5684	2.5156	2.1962		1.7787	1.7800	1.1024
H14	5.6050	4.5459	5.1752	4.2752	3.7607	4.1006	3.5684	3.0793	2.8647	2.8840	2.5156	2.1962	1.7787		1.7800	1.1024
H15	4.8479	3.9046	4.8479	3.9046	2.5713	3.6218	2.8836	3.6219	2.5713	2.8836	3.0863	2.1904	1.7800	1.7800		1.1033
C16	4.7596	3.7551	4.7595	3.7551	2.6897	3.1626	2.6123	3.1626	2.6898	2.6124	2.1590	1.5386	1.1024	1.1024	1.1033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.321	H1	C2	C7	122.594
C2	C4	H3	125.321	C2	C4	C10	112.045
C2	C7	H5	110.667	C2	C7	H6	113.240
C2	C7	C12	103.594	H3	C4	C10	122.593
C4	C2	C7	112.044	C4	C10	H8	113.237
C4	C10	H9	110.671	C4	C10	C12	103.594
H5	C7	H6	105.901	H5	C7	C12	111.314
H6	C7	C12	112.261	C7	C12	C10	104.670
C7	C12	H11	107.165	C7	C12	C16	114.460
H8	C10	H9	105.901	H8	C10	C12	112.260
H9	C10	C12	111.316	C10	C12	H11	107.164
C10	C12	C16	114.460	H11	C12	C16	108.462
C12	C16	H13	111.460	C12	C16	H14	111.460
C12	C16	H15	110.942	H13	C16	H14	107.562
H13	C16	H15	107.612	H14	C16	H15	107.612

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

using model chemistry: BLYP/6-31G(2df,p)

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	0.064
2	C	-0.030
3	H	0.064
4	C	-0.030
5	H	0.082
6	H	0.081
7	C	-0.234
8	H	0.081
9	H	0.082
10	C	-0.234
11	H	0.055
12	C	0.098
13	H	0.095
14	H	0.095
15	H	0.098
16	C	-0.368

	x	y	z	Total
	-0.160	0.000	0.046	0.167
CHELPG
AIM
ESP

	x	y	z
x	10.298	0.000	-0.085
y	0.000	10.528	0.000
z	-0.085	0.000	7.154

<r²>	166.637
(<r²>)^1/2	12.909

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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