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	hartrees
Energy at 0K	-234.319600
Energy at 298.15K	-234.330527
Nuclear repulsion energy	233.520804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3138	3120	28.18
2	A	3112	3094	7.37
3	A	3044	3026	21.66
4	A	3038	3021	38.48
5	A	2995	2978	29.47
6	A	2991	2974	34.29
7	A	2960	2943	36.09
8	A	2954	2937	12.45
9	A	2918	2901	41.54
10	A	2917	2901	26.13
11	A	1640	1631	3.86
12	A	1422	1414	6.61
13	A	1418	1410	2.45
14	A	1409	1401	0.63
15	A	1400	1392	2.02
16	A	1344	1336	2.59
17	A	1319	1312	0.09
18	A	1315	1308	4.52
19	A	1276	1269	2.25
20	A	1251	1243	0.07
21	A	1231	1223	2.39
22	A	1183	1176	0.31
23	A	1128	1122	0.06
24	A	1100	1093	2.25
25	A	1091	1084	0.48
26	A	1073	1067	0.27
27	A	1032	1026	1.56
28	A	969	963	0.21
29	A	961	955	11.91
30	A	923	917	0.07
31	A	902	897	3.84
32	A	891	886	4.70
33	A	870	865	0.00
34	A	810	805	1.50
35	A	755	750	0.51
36	A	676	672	28.23
37	A	554	551	3.54
38	A	407	405	1.25
39	A	383	381	0.16
40	A	304	303	0.07
41	A	249	248	0.01
42	A	103	102	0.09

Atom	x (Å)	y (Å)	z (Å)
H1	-2.458	-1.306	-0.122
C2	-1.560	-0.674	-0.055
H3	-2.458	1.306	-0.122
C4	-1.560	0.674	-0.055
H5	0.138	-1.610	-1.026
H6	-0.033	-2.084	0.680
C7	-0.154	-1.229	-0.017
H8	-0.033	2.084	0.680
H9	0.138	1.610	-1.026
C10	-0.154	1.229	-0.017
H11	0.764	-0.000	1.500
C12	0.707	-0.000	0.389
H13	2.696	-0.895	0.153
H14	2.696	0.895	0.153
H15	2.114	0.000	-1.286
C16	2.128	0.000	-0.175

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.1003	2.6126	2.1754	2.7651	2.6700	2.3071	4.2449	4.0073	3.4267	3.8367	3.4621	5.1778	5.6111	4.8953	4.7681
C2	1.1003		2.1754	1.3480	2.1681	2.2046	1.5114	3.2371	3.0069	2.3657	2.8764	2.4066	4.2670	4.5408	3.9331	3.7505
H3	2.6126	2.1754		1.1003	4.0072	4.2449	3.4267	2.6700	2.7651	2.3071	3.8367	3.4621	5.6111	5.1778	4.8953	4.7681
C4	2.1754	1.3480	1.1003		3.0069	3.2372	2.3657	2.2046	2.1681	1.5114	2.8764	2.4066	4.5408	4.2670	3.9331	3.7505
H5	2.7651	2.1681	4.0072	3.0069		1.7791	1.1168	4.0727	3.2200	3.0264	3.0601	2.2174	2.9063	3.7693	2.5624	2.6972
H6	2.6700	2.2046	4.2449	3.2372	1.7791		1.1108	4.1683	4.0727	3.3876	2.3772	2.2309	3.0237	4.0744	3.5807	3.1215
C7	2.3071	1.5114	3.4267	2.3657	1.1168	1.1108		3.3876	3.0264	2.4571	2.1578	1.5547	2.8752	3.5585	2.8749	2.5964
H8	4.2449	3.2371	2.6700	2.2046	4.0727	4.1683	3.3876		1.7791	1.1108	2.3772	2.2309	4.0744	3.0237	3.5807	3.1215
H9	4.0073	3.0069	2.7651	2.1681	3.2200	4.0727	3.0264	1.7791		1.1168	3.0601	2.2175	3.7693	2.9063	2.5624	2.6972
C10	3.4267	2.3657	2.3071	1.5114	3.0264	3.3876	2.4571	1.1108	1.1168		2.1578	1.5547	3.5585	2.8752	2.8749	2.5964
H11	3.8367	2.8764	3.8367	2.8764	3.0601	2.3772	2.1578	2.3772	3.0601	2.1578		1.1128	2.5195	2.5195	3.0959	2.1598
C12	3.4621	2.4066	3.4621	2.4066	2.2174	2.2309	1.5547	2.2309	2.2175	1.5547	1.1128		2.1935	2.1935	2.1872	1.5280
H13	5.1778	4.2670	5.6111	4.5408	2.9063	3.0237	2.8752	4.0744	3.7693	3.5585	2.5195	2.1935		1.7891	1.7915	1.1096
H14	5.6111	4.5408	5.1778	4.2670	3.7693	4.0744	3.5585	3.0237	2.9063	2.8752	2.5195	2.1935	1.7891		1.7915	1.1096
H15	4.8953	3.9331	4.8953	3.9331	2.5624	3.5807	2.8749	3.5807	2.5624	2.8749	3.0959	2.1872	1.7915	1.7915		1.1111
C16	4.7681	3.7505	4.7681	3.7505	2.6972	3.1215	2.5964	3.1215	2.6972	2.5964	2.1598	1.5280	1.1096	1.1096	1.1111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.077	H1	C2	C7	123.337
C2	C4	H3	125.077	C2	C4	C10	111.525
C2	C7	H5	110.262	C2	C7	H6	113.557
C2	C7	C12	103.415	H3	C4	C10	123.337
C4	C2	C7	111.524	C4	C10	H8	113.557
C4	C10	H9	110.263	C4	C10	C12	103.415
H5	C7	H6	105.996	H5	C7	C12	111.146
H6	C7	C12	112.579	C7	C12	C10	104.412
C7	C12	H11	106.815	C7	C12	C16	114.760
H8	C10	H9	105.995	H8	C10	C12	112.578
H9	C10	C12	111.146	C10	C12	H11	106.814
C10	C12	C16	114.760	H11	C12	C16	108.722
C12	C16	H13	111.553	C12	C16	H14	111.553
C12	C16	H15	110.962	H13	C16	H14	107.455
H13	C16	H15	107.556	H14	C16	H15	107.556

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

using model chemistry: PBEPBE/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	-0.025
2	C	-0.033
3	H	-0.025
4	C	-0.033
5	H	0.027
6	H	0.024
7	C	0.042
8	H	0.024
9	H	0.027
10	C	0.042
11	H	0.009
12	C	-0.160
13	H	0.027
14	H	0.027
15	H	0.029
16	C	-0.004

	x	y	z	Total
	0.225	0.000	0.023	0.226
CHELPG
AIM
ESP

	x	y	z
x	10.652	0.000	0.031
y	0.000	10.894	0.000
z	0.031	0.000	7.351

<r²>	165.895
(<r²>)^1/2	12.880

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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