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	hartrees
Energy at 0K	-234.368970
Energy at 298.15K	-234.379913
Nuclear repulsion energy	234.030062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3130	3102	30.91
2	A	3105	3077	8.72
3	A	3032	3004	26.58
4	A	3028	3000	49.18
5	A	2990	2963	31.14
6	A	2985	2958	37.93
7	A	2959	2932	39.48
8	A	2952	2925	8.79
9	A	2919	2893	37.54
10	A	2918	2891	31.40
11	A	1632	1617	3.35
12	A	1453	1440	8.29
13	A	1448	1435	3.48
14	A	1438	1425	1.11
15	A	1430	1417	3.22
16	A	1358	1345	4.50
17	A	1327	1315	0.42
18	A	1322	1310	5.02
19	A	1285	1273	1.36
20	A	1260	1248	0.77
21	A	1244	1233	3.88
22	A	1195	1184	0.28
23	A	1130	1120	0.01
24	A	1114	1103	2.51
25	A	1095	1085	0.30
26	A	1077	1068	0.41
27	A	1035	1025	2.24
28	A	964	955	1.81
29	A	964	955	10.11
30	A	929	920	0.01
31	A	901	893	4.74
32	A	900	892	5.72
33	A	876	868	0.00
34	A	805	798	1.50
35	A	757	751	0.63
36	A	677	671	37.67
37	A	557	552	4.22
38	A	408	404	1.18
39	A	385	382	0.12
40	A	306	303	0.06
41	A	246	244	0.01
42	A	98	98	0.09

Atom	x (Å)	y (Å)	z (Å)
H1	-2.448	-1.298	-0.139
C2	-1.557	-0.671	-0.062
H3	-2.448	1.298	-0.138
C4	-1.557	0.671	-0.062
H5	0.143	-1.621	-1.001
H6	-0.044	-2.068	0.700
C7	-0.155	-1.229	-0.008
H8	-0.043	2.069	0.698
H9	0.143	1.619	-1.002
C10	-0.155	1.229	-0.008
H11	0.776	0.000	1.496
C12	0.709	0.000	0.393
H13	2.690	-0.889	0.135
H14	2.690	0.889	0.135
H15	2.095	-0.000	-1.288
C16	2.124	-0.000	-0.185

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0924	2.5964	2.1626	2.7504	2.6602	2.2979	4.2217	3.9965	3.4153	3.8411	3.4546	5.1621	5.5914	4.8628	4.7528
C2	1.0924		2.1626	1.3416	2.1627	2.1961	1.5103	3.2213	3.0034	2.3622	2.8847	2.4066	4.2578	4.5292	3.9106	3.7436
H3	2.5964	2.1626		1.0924	3.9980	4.2208	3.4153	2.6607	2.7507	2.2982	3.8407	3.4546	5.5915	5.1623	4.8635	4.7531
C4	2.1626	1.3416	1.0924		3.0045	3.2206	2.3622	2.1967	2.1624	1.5105	2.8845	2.4066	4.5293	4.2579	3.9109	3.7437
H5	2.7504	2.1627	3.9980	3.0045		1.7688	1.1085	4.0665	3.2401	3.0327	3.0434	2.2115	2.8834	3.7518	2.5528	2.6858
H6	2.6602	2.1961	4.2208	3.2206	1.7688		1.1031	4.1370	4.0656	3.3743	2.3629	2.2221	3.0307	4.0668	3.5779	3.1238
C7	2.2979	1.5103	3.4153	2.3622	1.1085	1.1031		3.3749	3.0319	2.4586	2.1541	1.5551	2.8693	3.5502	2.8656	2.5952
H8	4.2217	3.2213	2.6607	2.1967	4.0665	4.1370	3.3749		1.7688	1.1031	2.3636	2.2222	4.0665	3.0300	3.5774	3.1234
H9	3.9965	3.0034	2.7507	2.1624	3.2401	4.0656	3.0319	1.7688		1.1086	3.0435	2.2112	3.7516	2.8837	2.5527	2.6857
C10	3.4153	2.3622	2.2982	1.5105	3.0327	3.3743	2.4586	1.1031	1.1086		2.1539	1.5549	3.5500	2.8691	2.8656	2.5950
H11	3.8411	2.8847	3.8407	2.8845	3.0434	2.3629	2.1541	2.3636	3.0435	2.1539		1.1047	2.5110	2.5112	3.0802	2.1544
C12	3.4546	2.4066	3.4546	2.4066	2.2115	2.2221	1.5551	2.2222	2.2112	1.5549	1.1047		2.1872	2.1872	2.1789	1.5286
H13	5.1621	4.2578	5.5915	4.5293	2.8834	3.0307	2.8693	4.0665	3.7516	3.5500	2.5110	2.1872		1.7778	1.7802	1.1018
H14	5.5914	4.5292	5.1623	4.2579	3.7518	4.0668	3.5502	3.0300	2.8837	2.8691	2.5112	2.1872	1.7778		1.7802	1.1018
H15	4.8628	3.9106	4.8635	3.9109	2.5528	3.5779	2.8656	3.5774	2.5527	2.8656	3.0802	2.1789	1.7802	1.7802		1.1029
C16	4.7528	3.7436	4.7531	3.7437	2.6858	3.1238	2.5952	3.1234	2.6857	2.5950	2.1544	1.5286	1.1018	1.1018	1.1029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.053	H1	C2	C7	123.181
C2	C4	H3	125.051	C2	C4	C10	111.694
C2	C7	H5	110.409	C2	C7	H6	113.431
C2	C7	C12	103.445	H3	C4	C10	123.197
C4	C2	C7	111.707	C4	C10	H8	113.468
C4	C10	H9	110.359	C4	C10	C12	103.446
H5	C7	H6	106.216	H5	C7	C12	111.142
H6	C7	C12	112.306	C7	C12	C10	104.470
C7	C12	H11	106.944	C7	C12	C16	114.612
H8	C10	H9	106.213	H8	C10	C12	112.337
H9	C10	C12	111.124	C10	C12	H11	106.946
C10	C12	C16	114.615	H11	C12	C16	108.731
C12	C16	H13	111.476	C12	C16	H14	111.478
C12	C16	H15	110.751	H13	C16	H14	107.560
H13	C16	H15	107.696	H14	C16	H15	107.697

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

using model chemistry: PBEPBE/6-311G**

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	0.092
2	C	-0.117
3	H	0.092
4	C	-0.117
5	H	0.127
6	H	0.128
7	C	-0.194
8	H	0.128
9	H	0.127
10	C	-0.194
11	H	0.142
12	C	-0.266
13	H	0.120
14	H	0.120
15	H	0.117
16	C	-0.305

	x	y	z	Total
	0.201	-0.000	0.022	0.202
CHELPG
AIM
ESP

	x	y	z
x	10.842	-0.000	0.031
y	-0.000	11.077	0.000
z	0.031	0.000	7.652

<r²>	165.466
(<r²>)^1/2	12.863

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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