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	hartrees
Energy at 0K	-234.352148
Energy at 298.15K	-234.363280
HF Energy	-234.352148
Nuclear repulsion energy	235.330545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3242	3081	29.17
2	A	3139	2983	43.77
3	A	3100	2946	33.30
4	A	3063	2910	35.84
5	A	3060	2908	9.38
6	A	3028	2878	23.82
7	A	1722	1636	2.60
8	A	1529	1453	7.96
9	A	1519	1443	0.37
10	A	1437	1366	4.11
11	A	1397	1327	3.60
12	A	1323	1257	0.14
13	A	1254	1192	0.38
14	A	1146	1089	0.27
15	A	1128	1072	0.34
16	A	1086	1032	1.88
17	A	1002	953	0.46
18	A	943	897	5.25
19	A	842	800	1.39
20	A	711	675	34.64
21	A	574	546	3.82
22	A	424	403	1.20
23	A	110	105	0.07
24	A	3217	3057	7.91
25	A	3142	2986	24.15
26	A	3096	2942	33.11
27	A	3028	2878	41.84
28	A	1525	1449	2.65
29	A	1510	1435	1.39
30	A	1396	1326	0.36
31	A	1356	1288	2.44
32	A	1309	1244	3.42
33	A	1190	1131	0.01
34	A	1164	1106	2.54
35	A	1008	958	9.85
36	A	976	927	0.01
37	A	942	895	3.92
38	A	918	872	0.00
39	A	782	743	0.48
40	A	399	379	0.10
41	A	314	299	0.09
42	A	256	244	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.236	2.107	0.000
C2	-0.369	0.712	0.000
C3	0.012	-0.153	1.222
C4	0.012	-0.153	-1.222
C5	0.012	-1.551	0.667
C6	0.012	-1.551	-0.667
H7	-0.071	2.677	0.885
H8	-0.071	2.677	-0.885
H9	1.332	2.056	0.000
H10	-1.464	0.802	0.000
H11	1.014	0.111	1.599
H12	1.014	0.111	-1.599
H13	-0.680	-0.015	2.062
H14	-0.680	-0.015	-2.062
H15	0.053	-2.439	1.293
H16	0.053	-2.439	-1.293

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5207	2.5788	2.5788	3.7254	3.7254	1.0963	1.0963	1.0972	2.1434	2.6735	2.6735	3.0977	3.0977	4.7298	4.7298
C2	1.5207		1.5449	1.5449	2.3903	2.3903	2.1755	2.1755	2.1681	1.0987	2.1983	2.1983	2.2086	2.2086	3.4320	3.4320
C3	2.5788	1.5449		2.4437	1.5045	2.3502	2.8511	3.5289	2.8485	2.1414	1.1022	3.0053	1.0973	3.3590	2.2874	3.3989
C4	2.5788	1.5449	2.4437		2.3502	1.5045	3.5289	2.8511	2.8485	2.1414	3.0053	1.1022	3.3590	1.0973	3.3989	2.2874
C5	3.7254	2.3903	1.5045	2.3502		1.3340	4.2348	4.5049	3.8987	2.8573	2.1531	2.9838	2.1875	3.2074	1.0869	2.1521
C6	3.7254	2.3903	2.3502	1.5045	1.3340		4.5049	4.2348	3.8987	2.8573	2.9838	2.1531	3.2074	2.1875	2.1521	1.0869
H7	1.0963	2.1755	2.8511	3.5289	4.2348	4.5049		1.7694	1.7711	2.4978	2.8761	3.7326	3.0009	4.0377	5.1336	5.5615
H8	1.0963	2.1755	3.5289	2.8511	4.5049	4.2348	1.7694		1.7711	2.4978	3.7326	2.8761	4.0377	3.0009	5.5615	5.1336
H9	1.0972	2.1681	2.8485	2.8485	3.8987	3.8987	1.7711	1.7711		3.0646	2.5383	2.5383	3.5483	3.5483	4.8490	4.8490
H10	2.1434	1.0987	2.1414	2.1414	2.8573	2.8573	2.4978	2.4978	3.0646		3.0293	3.0293	2.3530	2.3530	3.8050	3.8050
H11	2.6735	2.1983	1.1022	3.0053	2.1531	2.9838	2.8761	3.7326	2.5383	3.0293		3.1990	1.7600	4.0363	2.7420	3.9739
H12	2.6735	2.1983	3.0053	1.1022	2.9838	2.1531	3.7326	2.8761	2.5383	3.0293	3.1990		4.0363	1.7600	3.9739	2.7420
H13	3.0977	2.2086	1.0973	3.3590	2.1875	3.2074	3.0009	4.0377	3.5483	2.3530	1.7600	4.0363		4.1245	2.6461	4.2035
H14	3.0977	2.2086	3.3590	1.0973	3.2074	2.1875	4.0377	3.0009	3.5483	2.3530	4.0363	1.7600	4.1245		4.2035	2.6461
H15	4.7298	3.4320	2.2874	3.3989	1.0869	2.1521	5.1336	5.5615	4.8490	3.8050	2.7420	3.9739	2.6461	4.2035		2.5864
H16	4.7298	3.4320	3.3989	2.2874	2.1521	1.0869	5.5615	5.1336	4.8490	3.8050	3.9739	2.7420	4.2035	2.6461	2.5864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	114.537	H1	C2	C7	27.974
C2	C4	H3	37.732	C2	C4	C10	29.387
C2	C7	H5	23.065	C2	C7	H6	9.827
C2	C7	C12	31.599	H3	C4	C10	55.210
C4	C2	C7	142.510	C4	C10	H8	75.404
C4	C10	H9	63.466	C4	C10	C12	14.734
H5	C7	H6	17.202	H5	C7	C12	43.419
H6	C7	C12	28.371	C7	C12	C10	41.757
C7	C12	H11	48.276	C7	C12	C16	117.588
H8	C10	H9	35.303	H8	C10	C12	61.831
H9	C10	C12	49.227	C10	C12	H11	58.129
C10	C12	C16	82.331	H11	C12	C16	83.586
C12	C16	H13	67.300	C12	C16	H14	38.079
C12	C16	H15	96.414	H13	C16	H14	69.859
H13	C16	H15	37.037	H14	C16	H15	106.896

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

using model chemistry: PBE1PBE/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	C	-0.526
2	C	-0.144
3	C	-0.361
4	C	-0.361
5	C	-0.144
6	C	-0.144
7	H	0.171
8	H	0.171
9	H	0.168
10	H	0.171
11	H	0.171
12	H	0.171
13	H	0.170
14	H	0.170
15	H	0.159
16	H	0.159

	x	y	z	Total
	-0.009	0.158	0.000	0.158
CHELPG
AIM
ESP

	x	y	z
x	6.666	0.036	0.000
y	0.036	9.478	0.000
z	0.000	0.000	10.017

<r²>	163.320
(<r²>)^1/2	12.780

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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