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	hartrees
Energy at 0K	-234.626581
Energy at 298.15K	-234.637725
HF Energy	-234.626581
Nuclear repulsion energy	235.351392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3222	3082	27.77
2	A	3196	3057	8.21
3	A	3113	2978	28.76
4	A	3112	2977	60.93
5	A	3088	2954	30.11
6	A	3083	2949	34.70
7	A	3048	2916	13.73
8	A	3036	2904	36.85
9	A	3021	2890	47.64
10	A	3021	2889	21.54
11	A	1713	1639	2.92
12	A	1504	1438	8.39
13	A	1499	1434	2.39
14	A	1498	1433	1.44
15	A	1491	1426	4.81
16	A	1415	1354	6.44
17	A	1384	1324	3.18
18	A	1377	1317	0.83
19	A	1338	1280	2.25
20	A	1315	1258	0.95
21	A	1298	1242	3.30
22	A	1245	1191	0.32
23	A	1179	1128	0.07
24	A	1161	1110	2.40
25	A	1131	1082	0.54
26	A	1114	1066	0.78
27	A	1076	1029	2.79
28	A	998	955	8.07
29	A	988	945	1.33
30	A	987	944	0.87
31	A	939	898	6.17
32	A	930	889	5.95
33	A	914	874	0.16
34	A	833	797	1.22
35	A	783	749	0.74
36	A	709	679	40.65
37	A	580	555	4.18
38	A	433	415	1.03
39	A	398	381	0.06
40	A	318	304	0.06
41	A	244	233	0.01
42	A	98	93	0.08

Atom	x (Å)	y (Å)	z (Å)
H1	-2.437	-1.285	-0.132
C2	-1.552	-0.664	-0.064
H3	-2.437	1.285	-0.132
C4	-1.552	0.664	-0.064
H5	0.143	-1.605	-0.994
H6	-0.045	-2.052	0.696
C7	-0.153	-1.222	-0.008
H8	-0.045	2.052	0.696
H9	0.143	1.605	-0.994
C10	-0.153	1.222	-0.008
H11	0.773	0.000	1.487
C12	0.705	0.000	0.393
H13	2.676	-0.884	0.133
H14	2.676	0.884	0.133
H15	2.081	0.000	-1.280
C16	2.115	0.000	-0.185

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0838	2.5698	2.1418	2.7399	2.6454	2.2891	4.1889	3.9696	3.3940	3.8181	3.4355	5.1358	5.5604	4.8362	4.7306
C2	1.0838		2.1418	1.3279	2.1507	2.1853	1.5073	3.1979	2.9814	2.3488	2.8722	2.3965	4.2378	4.5062	3.8883	3.7283
H3	2.5698	2.1418		1.0838	3.9696	4.1889	3.3940	2.6454	2.7399	2.2891	3.8181	3.4355	5.5604	5.1358	4.8362	4.7306
C4	2.1418	1.3279	1.0838		2.9815	3.1979	2.3488	2.1853	2.1507	1.5073	2.8722	2.3965	4.5062	4.2378	3.8883	3.7283
H5	2.7399	2.1507	3.9696	2.9815		1.7589	1.0989	4.0340	3.2107	3.0088	3.0217	2.1951	2.8644	3.7255	2.5328	2.6682
H6	2.6454	2.1853	4.1889	3.1979	1.7589		1.0944	4.1050	4.0340	3.3508	2.3467	2.2062	3.0145	4.0425	3.5551	3.1073
C7	2.2891	1.5073	3.3940	2.3488	1.0989	1.0944		3.3508	3.0088	2.4435	2.1411	1.5458	2.8520	3.5288	2.8462	2.5818
H8	4.1889	3.1979	2.6454	2.1853	4.0340	4.1050	3.3508		1.7589	1.0944	2.3467	2.2062	4.0425	3.0145	3.5551	3.1073
H9	3.9696	2.9814	2.7399	2.1507	3.2107	4.0340	3.0088	1.7589		1.0989	3.0217	2.1951	3.7255	2.8644	2.5328	2.6682
C10	3.3940	2.3488	2.2891	1.5073	3.0088	3.3508	2.4435	1.0944	1.0989		2.1411	1.5458	3.5288	2.8520	2.8462	2.5818
H11	3.8181	2.8722	3.8181	2.8722	3.0217	2.3467	2.1411	2.3467	3.0217	2.1411		1.0959	2.4972	2.4972	3.0605	2.1441
C12	3.4355	2.3965	3.4355	2.3965	2.1951	2.2062	1.5458	2.2062	2.1951	1.5458	1.0959		2.1754	2.1754	2.1662	1.5238
H13	5.1358	4.2378	5.5604	4.5062	2.8644	3.0145	2.8520	4.0425	3.7255	3.5288	2.4972	2.1754		1.7674	1.7689	1.0939
H14	5.5604	4.5062	5.1358	4.2378	3.7255	4.0425	3.5288	3.0145	2.8644	2.8520	2.4972	2.1754	1.7674		1.7689	1.0939
H15	4.8362	3.8883	4.8362	3.8883	2.5328	3.5551	2.8462	3.5551	2.5328	2.8462	3.0605	2.1662	1.7689	1.7689		1.0949
C16	4.7306	3.7283	4.7306	3.7283	2.6682	3.1073	2.5818	3.1073	2.6682	2.5818	2.1441	1.5238	1.0939	1.0939	1.0949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.953	H1	C2	C7	123.293
C2	C4	H3	124.953	C2	C4	C10	111.719
C2	C7	H5	110.236	C2	C7	H6	113.322
C2	C7	C12	103.429	H3	C4	C10	123.293
C4	C2	C7	111.719	C4	C10	H8	113.322
C4	C10	H9	110.237	C4	C10	C12	103.429
H5	C7	H6	106.629	H5	C7	C12	111.067
H6	C7	C12	112.238	C7	C12	C10	104.442
C7	C12	H11	107.058	C7	C12	C16	114.511
H8	C10	H9	106.629	H8	C10	C12	112.238
H9	C10	C12	111.067	C10	C12	H11	107.058
C10	C12	C16	114.511	H11	C12	C16	108.766
C12	C16	H13	111.347	C12	C16	H14	111.347
C12	C16	H15	110.554	H13	C16	H14	107.770
H13	C16	H15	107.833	H14	C16	H15	107.833

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

using model chemistry: wB97X-D/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	0.105
2	C	-0.135
3	H	0.105
4	C	-0.135
5	H	0.124
6	H	0.128
7	C	-0.189
8	H	0.128
9	H	0.124
10	C	-0.189
11	H	0.135
12	C	-0.252
13	H	0.117
14	H	0.117
15	H	0.112
16	C	-0.294

	x	y	z	Total
	0.182	0.000	0.023	0.183
CHELPG
AIM
ESP

	x	y	z
x	10.208	0.000	0.047
y	0.000	10.691	0.000
z	0.047	0.000	7.399

<r²>	163.601
(<r²>)^1/2	12.791

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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