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	hartrees
Energy at 0K	-234.565009
Energy at 298.15K	-234.576010
HF Energy	-234.565009
Nuclear repulsion energy	234.485865

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3145	3099	34.57
2	A	3120	3075	10.75
3	A	3040	2996	33.33
4	A	3038	2995	63.31
5	A	3006	2963	33.23
6	A	3000	2957	44.19
7	A	2973	2930	34.91
8	A	2969	2926	19.36
9	A	2939	2896	50.64
10	A	2938	2896	27.52
11	A	1636	1613	4.98
12	A	1478	1457	7.06
13	A	1473	1452	2.54
14	A	1465	1444	0.86
15	A	1459	1438	2.25
16	A	1386	1366	2.67
17	A	1346	1327	0.40
18	A	1344	1324	5.25
19	A	1305	1286	1.04
20	A	1282	1264	0.48
21	A	1270	1251	4.54
22	A	1216	1199	0.43
23	A	1147	1130	0.33
24	A	1126	1110	2.19
25	A	1112	1096	0.28
26	A	1087	1071	1.51
27	A	1044	1029	2.32
28	A	971	957	8.00
29	A	960	946	0.73
30	A	936	923	0.00
31	A	918	904	5.33
32	A	905	892	5.19
33	A	888	875	0.74
34	A	803	791	1.22
35	A	766	755	0.64
36	A	681	671	39.07
37	A	567	559	4.82
38	A	418	412	1.11
39	A	386	380	0.08
40	A	315	311	0.05
41	A	253	250	0.01
42	A	88	87	0.13

Atom	x (Å)	y (Å)	z (Å)
H1	-2.439	-1.294	-0.157
C2	-1.554	-0.669	-0.070
H3	-2.439	1.294	-0.157
C4	-1.554	0.669	-0.070
H5	0.152	-1.630	-0.977
H6	-0.055	-2.056	0.719
C7	-0.154	-1.230	0.003
H8	-0.055	2.056	0.719
H9	0.152	1.630	-0.977
C10	-0.154	1.230	0.003
H11	0.792	0.000	1.495
C12	0.711	0.000	0.399
H13	2.682	-0.886	0.113
H14	2.682	0.886	0.113
H15	2.068	-0.000	-1.295
C16	2.115	0.000	-0.198

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0875	2.5885	2.1551	2.7387	2.6520	2.2915	4.2042	3.9923	3.4085	3.8530	3.4505	5.1446	5.5727	4.8256	4.7350
C2	1.0875		2.1551	1.3374	2.1579	2.1896	1.5097	3.2082	3.0027	2.3598	2.8985	2.4073	4.2454	4.5160	3.8814	3.7317
H3	2.5885	2.1551		1.0875	3.9923	4.2042	3.4085	2.6520	2.7387	2.2915	3.8530	3.4505	5.5727	5.1446	4.8256	4.7350
C4	2.1551	1.3374	1.0875		3.0027	3.2082	2.3598	2.1896	2.1579	1.5097	2.8985	2.4073	4.5160	4.2454	3.8814	3.7317
H5	2.7387	2.1579	3.9923	3.0027		1.7616	1.1025	4.0626	3.2598	3.0387	3.0295	2.2054	2.8536	3.7310	2.5355	2.6680
H6	2.6520	2.1896	4.2042	3.2082	1.7616		1.0976	4.1112	4.0626	3.3641	2.3546	2.2167	3.0374	4.0635	3.5763	3.1268
C7	2.2915	1.5097	3.4085	2.3598	1.1025	1.0976		3.3641	3.0387	2.4596	2.1524	1.5547	2.8592	3.5404	2.8525	2.5892
H8	4.2042	3.2082	2.6520	2.1896	4.0626	4.1112	3.3641		1.7616	1.0976	2.3546	2.2167	4.0635	3.0374	3.5763	3.1268
H9	3.9923	3.0027	2.7387	2.1579	3.2598	4.0626	3.0387	1.7616		1.1025	3.0295	2.2054	3.7310	2.8536	2.5355	2.6680
C10	3.4085	2.3598	2.2915	1.5097	3.0387	3.3641	2.4596	1.0976	1.1025		2.1524	1.5547	3.5404	2.8592	2.8525	2.5892
H11	3.8530	2.8985	3.8530	2.8985	3.0295	2.3546	2.1524	2.3546	3.0295	2.1524		1.0985	2.5032	2.5032	3.0676	2.1486
C12	3.4505	2.4073	3.4505	2.4073	2.2054	2.2167	1.5547	2.2167	2.2054	1.5547	1.0985		2.1804	2.1804	2.1710	1.5265
H13	5.1446	4.2454	5.5727	4.5160	2.8536	3.0374	2.8592	4.0635	3.7310	3.5404	2.5032	2.1804		1.7723	1.7732	1.0970
H14	5.5727	4.5160	5.1446	4.2454	3.7310	4.0635	3.5404	3.0374	2.8536	2.8592	2.5032	2.1804	1.7723		1.7732	1.0970
H15	4.8256	3.8814	4.8256	3.8814	2.5355	3.5763	2.8525	3.5763	2.5355	2.8525	3.0676	2.1710	1.7732	1.7732		1.0977
C16	4.7350	3.7317	4.7350	3.7317	2.6680	3.1268	2.5892	3.1268	2.6680	2.5892	2.1486	1.5265	1.0970	1.0970	1.0977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.115	H1	C2	C7	123.013
C2	C4	H3	125.115	C2	C4	C10	111.820
C2	C7	H5	110.427	C2	C7	H6	113.296
C2	C7	C12	103.538	H3	C4	C10	123.013
C4	C2	C7	111.820	C4	C10	H8	113.296
C4	C10	H9	110.427	C4	C10	C12	103.538
H5	C7	H6	106.392	H5	C7	C12	111.044
H6	C7	C12	112.242	C7	C12	C10	104.561
C7	C12	H11	107.181	C7	C12	C16	114.341
H8	C10	H9	106.392	H8	C10	C12	112.242
H9	C10	C12	111.044	C10	C12	H11	107.181
C10	C12	C16	114.341	H11	C12	C16	108.777
C12	C16	H13	111.374	C12	C16	H14	111.374
C12	C16	H15	110.582	H13	C16	H14	107.770
H13	C16	H15	107.790	H14	C16	H15	107.790

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

using model chemistry: B97D3/TZVP

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	0.099
2	C	-0.126
3	H	0.099
4	C	-0.126
5	H	0.105
6	H	0.108
7	C	-0.204
8	H	0.108
9	H	0.105
10	C	-0.204
11	H	0.122
12	C	-0.039
13	H	0.113
14	H	0.113
15	H	0.103
16	C	-0.375

	x	y	z	Total
	0.254	0.000	0.027	0.255
CHELPG
AIM
ESP

	x	y	z
x	11.217	0.000	0.042
y	0.000	11.439	0.000
z	0.042	0.000	8.244

<r²>	164.882
(<r²>)^1/2	12.841

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

using model chemistry: B97D3/TZVP

States and conformations

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