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	hartrees
Energy at 0K	-234.499035
Energy at 298.15K	-234.509966
Nuclear repulsion energy	232.320779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3114	3119	35.68
2	A	3007	3011	52.82
3	A	2967	2971	38.34
4	A	2942	2947	39.41
5	A	2931	2936	12.62
6	A	2897	2902	31.48
7	A	1624	1627	4.15
8	A	1433	1435	4.92
9	A	1421	1423	0.33
10	A	1359	1362	0.55
11	A	1317	1319	5.18
12	A	1256	1258	0.39
13	A	1187	1189	0.32
14	A	1086	1088	0.30
15	A	1068	1069	1.13
16	A	1030	1032	1.38
17	A	949	950	0.18
18	A	899	901	3.91
19	A	792	793	1.14
20	A	679	680	24.41
21	A	555	556	2.98
22	A	412	412	0.90
23	A	103	103	0.09
24	A	3089	3094	10.58
25	A	3008	3013	29.42
26	A	2961	2966	44.31
27	A	2897	2902	43.82
28	A	1431	1433	1.68
29	A	1413	1415	0.67
30	A	1320	1323	0.00
31	A	1279	1281	1.88
32	A	1239	1241	3.13
33	A	1119	1121	0.01
34	A	1102	1103	2.32
35	A	954	956	7.25
36	A	926	928	0.07
37	A	892	894	4.41
38	A	872	873	0.28
39	A	751	752	0.42
40	A	381	382	0.11
41	A	309	309	0.06
42	A	253	253	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	-2.465	-1.307	-0.146
C2	-1.568	-0.675	-0.066
H3	-2.465	1.307	-0.146
C4	-1.568	0.675	-0.066
H5	0.145	-1.644	-0.999
H6	-0.052	-2.081	0.715
C7	-0.157	-1.239	-0.003
H8	-0.052	2.081	0.715
H9	0.145	1.644	-0.999
C10	-0.157	1.239	-0.003
H11	0.791	0.000	1.505
C12	0.716	0.000	0.396
H13	2.710	-0.895	0.130
H14	2.710	0.895	0.130
H15	2.111	-0.000	-1.302
C16	2.138	-0.000	-0.191

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0999	2.6132	2.1761	2.7661	2.6761	2.3131	4.2468	4.0303	3.4393	3.8777	3.4809	5.1986	5.6305	4.8973	4.7845
C2	1.0999		2.1762	1.3493	2.1779	2.2103	1.5212	3.2404	3.0298	2.3789	2.9141	2.4258	4.2884	4.5613	3.9395	3.7687
H3	2.6132	2.1762		1.0999	4.0303	4.2468	3.4393	2.6762	2.7661	2.3132	3.8777	3.4809	5.6305	5.1987	4.8974	4.7845
C4	2.1761	1.3493	1.0999		3.0298	3.2404	2.3788	2.2103	2.1780	1.5213	2.9141	2.4258	4.5613	4.2885	3.9396	3.7687
H5	2.7661	2.1779	4.0303	3.0298		1.7796	1.1163	4.1047	3.2879	3.0654	3.0645	2.2302	2.9012	3.7817	2.5809	2.7066
H6	2.6761	2.2103	4.2468	3.2404	1.7796		1.1110	4.1612	4.1047	3.3985	2.3801	2.2407	3.0623	4.1019	3.6164	3.1536
C7	2.3131	1.5212	3.4393	2.3788	1.1163	1.1110		3.3985	3.0655	2.4790	2.1706	1.5676	2.8909	3.5770	2.8929	2.6148
H8	4.2468	3.2404	2.6762	2.2103	4.1047	4.1612	3.3985		1.7796	1.1110	2.3801	2.2406	4.1019	3.0623	3.6165	3.1537
H9	4.0303	3.0298	2.7661	2.1780	3.2879	4.1047	3.0655	1.7796		1.1163	3.0646	2.2302	3.7818	2.9012	2.5810	2.7066
C10	3.4393	2.3789	2.3132	1.5213	3.0654	3.3985	2.4790	1.1110	1.1163		2.1705	1.5676	3.5769	2.8909	2.8930	2.6148
H11	3.8777	2.9141	3.8777	2.9141	3.0645	2.3801	2.1706	2.3801	3.0646	2.1705		1.1121	2.5245	2.5245	3.1024	2.1659
C12	3.4809	2.4258	3.4809	2.4258	2.2302	2.2407	1.5676	2.2406	2.2302	1.5676	1.1121		2.2020	2.2020	2.1979	1.5383
H13	5.1986	4.2884	5.6305	4.5613	2.9012	3.0623	2.8909	4.1019	3.7818	3.5769	2.5245	2.2020		1.7899	1.7923	1.1101
H14	5.6305	4.5613	5.1987	4.2885	3.7817	4.1019	3.5770	3.0623	2.9012	2.8909	2.5245	2.2020	1.7899		1.7923	1.1101
H15	4.8973	3.9395	4.8974	3.9396	2.5809	3.6164	2.8929	3.6165	2.5810	2.8930	3.1024	2.1979	1.7923	1.7923		1.1112
C16	4.7845	3.7687	4.7845	3.7687	2.7066	3.1536	2.6148	3.1537	2.7066	2.6148	2.1659	1.5383	1.1101	1.1101	1.1112

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.068	H1	C2	C7	123.083
C2	C4	H3	125.070	C2	C4	C10	111.795
C2	C7	H5	110.390	C2	C7	H6	113.302
C2	C7	C12	103.499	H3	C4	C10	123.084
C4	C2	C7	111.799	C4	C10	H8	113.299
C4	C10	H9	110.387	C4	C10	C12	103.499
H5	C7	H6	106.068	H5	C7	C12	111.278
H6	C7	C12	112.426	C7	C12	C10	104.502
C7	C12	H11	106.965	C7	C12	C16	114.673
H8	C10	H9	106.067	H8	C10	C12	112.427
H9	C10	C12	111.283	C10	C12	H11	106.965
C10	C12	C16	114.676	H11	C12	C16	108.543
C12	C16	H13	111.472	C12	C16	H14	111.473
C12	C16	H15	111.080	H13	C16	H14	107.453
H13	C16	H15	107.580	H14	C16	H15	107.580

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

using model chemistry: BLYP/cc-pVDZ

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	-0.057
2	C	-0.002
3	H	-0.057
4	C	-0.002
5	H	-0.003
6	H	-0.005
7	C	0.093
8	H	-0.005
9	H	-0.003
10	C	0.093
11	H	-0.026
12	C	-0.091
13	H	-0.000
14	H	-0.000
15	H	0.004
16	C	0.061

	x	y	z	Total
	0.201	0.000	0.039	0.204
CHELPG
AIM
ESP

	x	y	z
x	10.699	-0.001	0.071
y	-0.001	10.984	-0.007
z	0.071	-0.007	7.377

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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