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	hartrees
Energy at 0K	-233.255312
Energy at 298.15K	-233.266391
Nuclear repulsion energy	235.298298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3173	3108	24.53
2	A	3144	3080	4.07
3	A	3070	3008	17.73
4	A	3062	3000	35.96
5	A	3022	2961	21.27
6	A	3018	2956	27.87
7	A	2974	2913	32.23
8	A	2966	2906	13.40
9	A	2931	2871	33.44
10	A	2929	2870	23.17
11	A	1674	1640	1.41
12	A	1480	1450	12.97
13	A	1474	1444	5.50
14	A	1465	1435	1.86
15	A	1460	1431	7.00
16	A	1391	1363	11.17
17	A	1355	1328	0.45
18	A	1346	1319	6.99
19	A	1308	1282	0.22
20	A	1281	1255	3.93
21	A	1275	1249	5.83
22	A	1220	1195	0.36
23	A	1167	1143	0.82
24	A	1134	1111	2.99
25	A	1134	1111	0.21
26	A	1111	1089	0.06
27	A	1067	1046	0.95
28	A	1002	981	0.65
29	A	1000	979	14.46
30	A	957	937	0.08
31	A	930	911	4.05
32	A	926	907	6.17
33	A	897	878	0.18
34	A	837	820	2.67
35	A	783	767	0.71
36	A	700	686	42.12
37	A	576	565	5.51
38	A	422	414	1.85
39	A	400	392	0.28
40	A	313	307	0.14
41	A	251	245	0.03
42	A	104	102	0.12

Atom	x (Å)	y (Å)	z (Å)
H1	-2.437	-1.303	-0.124
C2	-1.546	-0.671	-0.057
H3	-2.437	1.303	-0.124
C4	-1.546	0.671	-0.057
H5	0.157	-1.586	-1.021
H6	-0.025	-2.074	0.675
C7	-0.151	-1.219	-0.015
H8	-0.025	2.074	0.675
H9	0.157	1.586	-1.021
C10	-0.151	1.219	-0.015
H11	0.758	-0.000	1.505
C12	0.701	-0.000	0.396
H13	2.671	-0.892	0.138
H14	2.671	0.892	0.138
H15	2.060	0.000	-1.284
C16	2.100	-0.000	-0.177

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0943	2.6070	2.1672	2.7595	2.6549	2.2902	4.2265	3.9852	3.4061	3.8159	3.4376	5.1313	5.5661	4.8234	4.7211
C2	1.0943		2.1672	1.3422	2.1605	2.1951	1.4998	3.2228	2.9873	2.3499	2.8638	2.3889	4.2277	4.5020	3.8676	3.7098
H3	2.6070	2.1672		1.0943	3.9852	4.2266	3.4061	2.6549	2.7595	2.2902	3.8159	3.4376	5.5661	5.1313	4.8233	4.7211
C4	2.1672	1.3422	1.0943		2.9872	3.2229	2.3499	2.1952	2.1605	1.4998	2.8638	2.3889	4.5020	4.2277	3.8676	3.7098
H5	2.7595	2.1605	3.9852	2.9872		1.7745	1.1137	4.0378	3.1711	2.9954	3.0421	2.1949	2.8535	3.7149	2.4904	2.6459
H6	2.6549	2.1951	4.2266	3.2229	1.7745		1.1063	4.1486	4.0378	3.3674	2.3675	2.2154	2.9928	4.0446	3.5336	3.0898
C7	2.2902	1.4998	3.4061	2.3499	1.1137	1.1063		3.3674	2.9954	2.4382	2.1503	1.5432	2.8449	3.5276	2.8251	2.5651
H8	4.2265	3.2228	2.6549	2.1952	4.0378	4.1486	3.3674		1.7745	1.1063	2.3675	2.2154	4.0446	2.9928	3.5336	3.0899
H9	3.9852	2.9873	2.7595	2.1605	3.1711	4.0378	2.9954	1.7745		1.1137	3.0421	2.1949	3.7149	2.8534	2.4904	2.6459
C10	3.4061	2.3499	2.2902	1.4998	2.9954	3.3674	2.4382	1.1063	1.1137		2.1503	1.5432	3.5276	2.8449	2.8251	2.5651
H11	3.8159	2.8638	3.8159	2.8638	3.0421	2.3675	2.1503	2.3675	3.0421	2.1503		1.1102	2.5147	2.5147	3.0771	2.1518
C12	3.4376	2.3889	3.4376	2.3889	2.1949	2.2154	1.5432	2.2154	2.1949	1.5432	1.1102		2.1780	2.1780	2.1604	1.5121
H13	5.1313	4.2277	5.5661	4.5020	2.8535	2.9928	2.8449	4.0446	3.7149	3.5276	2.5147	2.1780		1.7843	1.7859	1.1050
H14	5.5661	4.5020	5.1313	4.2277	3.7149	4.0446	3.5276	2.9928	2.8534	2.8449	2.5147	2.1780	1.7843		1.7859	1.1050
H15	4.8234	3.8676	4.8233	3.8676	2.4904	3.5336	2.8251	3.5336	2.4904	2.8251	3.0771	2.1604	1.7859	1.7859		1.1070
C16	4.7211	3.7098	4.7211	3.7098	2.6459	3.0898	2.5651	3.0899	2.6459	2.5651	2.1518	1.5121	1.1050	1.1050	1.1070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.302	H1	C2	C7	123.214
C2	C4	H3	125.302	C2	C4	C10	111.432
C2	C7	H5	110.645	C2	C7	H6	113.916
C2	C7	C12	103.439	H3	C4	C10	123.214
C4	C2	C7	111.432	C4	C10	H8	113.916
C4	C10	H9	110.645	C4	C10	C12	103.439
H5	C7	H6	106.130	H5	C7	C12	110.362
H6	C7	C12	112.431	C7	C12	C10	104.372
C7	C12	H11	107.144	C7	C12	C16	114.186
H8	C10	H9	106.130	H8	C10	C12	112.431
H9	C10	C12	110.361	C10	C12	H11	107.144
C10	C12	C16	114.187	H11	C12	C16	109.330
C12	C16	H13	111.711	C12	C16	H14	111.712
C12	C16	H15	110.188	H13	C16	H14	107.683
H13	C16	H15	107.682	H14	C16	H15	107.683

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

using model chemistry: LSDA/6-31G

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	0.143
2	C	-0.110
3	H	0.143
4	C	-0.110
5	H	0.165
6	H	0.162
7	C	-0.362
8	H	0.163
9	H	0.165
10	C	-0.362
11	H	0.164
12	C	-0.138
13	H	0.163
14	H	0.163
15	H	0.159
16	C	-0.510

	x	y	z	Total
	0.241	0.000	-0.005	0.241
CHELPG
AIM
ESP

	x	y	z
x	9.597	0.000	0.030
y	0.000	10.196	0.000
z	0.030	0.000	6.793

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G

States and conformations

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