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	hartrees
Energy at 0K	-38.640050
Energy at 298.15K	-38.651582
Nuclear repulsion energy	127.339909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3356	3062	43.21
2	A	3321	3031	12.80
3	A	3219	2937	148.60
4	A	3213	2932	58.67
5	A	3197	2917	38.31
6	A	3190	2911	41.89
7	A	3150	2875	5.77
8	A	3140	2865	71.13
9	A	3134	2860	88.99
10	A	3126	2853	23.23
11	A	1786	1630	4.74
12	A	1644	1500	3.67
13	A	1637	1494	0.08
14	A	1635	1492	4.71
15	A	1634	1491	5.69
16	A	1552	1416	4.36
17	A	1504	1373	3.55
18	A	1495	1364	0.56
19	A	1457	1330	1.48
20	A	1433	1308	0.57
21	A	1427	1302	6.22
22	A	1351	1233	1.13
23	A	1277	1165	0.06
24	A	1256	1146	2.52
25	A	1225	1118	0.03
26	A	1210	1104	7.08
27	A	1154	1053	2.56
28	A	1096	1000	0.71
29	A	1074	980	5.21
30	A	1037	946	3.90
31	A	1019	930	6.02
32	A	1001	913	2.37
33	A	978	892	4.57
34	A	871	795	2.32
35	A	837	763	1.07
36	A	789	720	58.06
37	A	623	569	4.27
38	A	458	418	1.02
39	A	427	390	0.02
40	A	337	307	0.09
41	A	256	234	0.01
42	A	105	96	0.12

Atom	x (Å)	y (Å)	z (Å)
H1	2.474	1.288	-0.163
C2	1.598	0.669	-0.080
H3	2.474	-1.288	-0.163
C4	1.598	-0.669	-0.080
H5	-0.125	1.649	-0.948
H6	0.105	2.042	0.739
C7	0.188	1.238	0.012
H8	0.105	-2.042	0.739
H9	-0.125	-1.649	-0.948
C10	0.188	-1.238	0.012
H11	-0.769	0.000	1.494
C12	-0.678	-0.000	0.410
H13	-2.653	0.879	0.114
H14	-2.653	-0.879	0.114
H15	-2.048	0.000	-1.285
C16	-2.092	-0.000	-0.197

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0756	2.5762	2.1458	2.7389	2.6446	2.2934	4.1851	3.9999	3.4116	3.8626	3.4527	5.1507	5.5729	4.8336	4.7441
C2	1.0756		2.1459	1.3383	2.1642	2.1875	1.5236	3.2017	3.0163	2.3738	2.9203	2.4224	4.2608	4.5283	3.8976	3.7520
H3	2.5762	2.1459		1.0757	4.0001	4.1851	3.4116	2.6446	2.7390	2.2935	3.8627	3.4528	5.5731	5.1508	4.8338	4.7443
C4	2.1458	1.3383	1.0757		3.0165	3.2017	2.3739	2.1875	2.1642	1.5236	2.9203	2.4224	4.5284	4.2608	3.8978	3.7521
H5	2.7389	2.1642	4.0001	3.0165		1.7479	1.0906	4.0654	3.2988	3.0591	3.0167	2.2069	2.8484	3.7297	2.5555	2.6746
H6	2.6446	2.1875	4.1851	3.2017	1.7479		1.0872	4.0841	4.0654	3.3608	2.3458	2.2117	3.0581	4.0657	3.5918	3.1422
C7	2.2934	1.5236	3.4116	2.3739	1.0906	1.0872		3.3608	3.0590	2.4762	2.1551	1.5622	2.8653	3.5442	2.8657	2.6026
H8	4.1851	3.2017	2.6446	2.1875	4.0654	4.0841	3.3608		1.7479	1.0872	2.3460	2.2117	4.0656	3.0580	3.5919	3.1422
H9	3.9999	3.0163	2.7390	2.1642	3.2988	4.0654	3.0590	1.7479		1.0906	3.0169	2.2070	3.7299	2.8484	2.5557	2.6747
C10	3.4116	2.3738	2.2935	1.5236	3.0591	3.3608	2.4762	1.0872	1.0906		2.1552	1.5622	3.5442	2.8652	2.8658	2.6026
H11	3.8626	2.9203	3.8627	2.9203	3.0167	2.3458	2.1551	2.3460	3.0169	2.1552		1.0883	2.4956	2.4957	3.0592	2.1475
C12	3.4527	2.4224	3.4528	2.4224	2.2069	2.2117	1.5622	2.2117	2.2070	1.5622	1.0883		2.1819	2.1819	2.1789	1.5387
H13	5.1507	4.2608	5.5731	4.5284	2.8484	3.0581	2.8653	4.0656	3.7299	3.5442	2.4956	2.1819		1.7576	1.7592	1.0881
H14	5.5729	4.5283	5.1508	4.2608	3.7297	4.0657	3.5442	3.0580	2.8484	2.8652	2.4957	2.1819	1.7576		1.7592	1.0881
H15	4.8336	3.8976	4.8338	3.8978	2.5555	3.5918	2.8657	3.5919	2.5557	2.8658	3.0592	2.1789	1.7592	1.7592		1.0884
C16	4.7441	3.7520	4.7443	3.7521	2.6746	3.1422	2.6026	3.1422	2.6747	2.6026	2.1475	1.5387	1.0881	1.0881	1.0884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.128	H1	C2	C7	122.920
C2	C4	H3	125.131	C2	C4	C10	111.922
C2	C7	H5	110.675	C2	C7	H6	112.768
C2	C7	C12	103.439	H3	C4	C10	122.925
C4	C2	C7	111.931	C4	C10	H8	112.764
C4	C10	H9	110.669	C4	C10	C12	103.440
H5	C7	H6	106.758	H5	C7	C12	111.355
H6	C7	C12	111.941	C7	C12	C10	104.847
C7	C12	H11	107.447	C7	C12	C16	114.132
H8	C10	H9	106.760	H8	C10	C12	111.943
H9	C10	C12	111.359	C10	C12	H11	107.455
C10	C12	C16	114.133	H11	C12	C16	108.442
C12	C16	H13	111.172	C12	C16	H14	111.170
C12	C16	H15	110.910	H13	C16	H14	107.734
H13	C16	H15	107.850	H14	C16	H15	107.851

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

using model chemistry: HF/CEP-121G

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	0.178
2	C	-0.115
3	H	0.178
4	C	-0.115
5	H	0.143
6	H	0.138
7	C	-0.379
8	H	0.138
9	H	0.143
10	C	-0.379
11	H	0.133
12	C	0.034
13	H	0.145
14	H	0.145
15	H	0.138
16	C	-0.526

	x	y	z	Total
	-0.248	0.000	0.025	0.249
CHELPG
AIM
ESP

	x	y	z
x	9.549	-0.000	-0.086
y	-0.000	10.720	-0.000
z	-0.086	-0.000	7.258

<r²>	137.732
(<r²>)^1/2	11.736

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

using model chemistry: HF/CEP-121G

States and conformations

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