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	hartrees
Energy at 0K	-232.261672
Energy at 298.15K	-232.272877
HF Energy	-231.719846
Nuclear repulsion energy	232.711408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3242	3095	22.83
2	A	3213	3067	5.56
3	A	3149	3006	51.92
4	A	3144	3001	20.18
5	A	3133	2990	15.86
6	A	3129	2986	17.09
7	A	3095	2954	5.41
8	A	3072	2933	30.44
9	A	3070	2930	27.83
10	A	3069	2929	5.85
11	A	1645	1570	0.87
12	A	1603	1530	6.45
13	A	1598	1525	2.45
14	A	1582	1510	1.03
15	A	1581	1509	1.11
16	A	1489	1422	3.20
17	A	1417	1353	0.09
18	A	1406	1342	3.12
19	A	1391	1328	0.26
20	A	1341	1280	1.98
21	A	1337	1276	6.54
22	A	1299	1240	0.94
23	A	1220	1165	0.33
24	A	1184	1131	0.16
25	A	1182	1128	3.52
26	A	1142	1090	1.02
27	A	1077	1028	0.72
28	A	1008	962	1.91
29	A	985	941	5.56
30	A	972	928	0.08
31	A	951	908	0.41
32	A	933	891	2.45
33	A	906	864	1.76
34	A	815	778	2.13
35	A	789	753	0.47
36	A	720	687	41.51
37	A	585	559	5.42
38	A	430	411	1.09
39	A	397	379	0.05
40	A	323	308	0.16
41	A	261	249	0.02
42	A	102	98	0.01

Atom	x (Å)	y (Å)	z (Å)
H1	-2.453	-1.301	-0.138
C2	-1.571	-0.673	-0.067
H3	-2.454	1.301	-0.138
C4	-1.571	0.673	-0.067
H5	0.161	-1.609	-0.999
H6	-0.048	-2.067	0.708
C7	-0.149	-1.245	-0.008
H8	-0.047	2.067	0.708
H9	0.161	1.608	-0.999
C10	-0.149	1.245	-0.009
H11	0.783	0.000	1.507
C12	0.715	0.000	0.412
H13	2.692	-0.889	0.120
H14	2.693	0.889	0.120
H15	2.068	-0.000	-1.289
C16	2.133	-0.000	-0.195

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0849	2.6012	2.1632	2.7692	2.6631	2.3084	4.2248	4.0044	3.4359	3.8568	3.4693	5.1687	5.5983	4.8434	4.7678
C2	1.0849		2.1632	1.3464	2.1778	2.2057	1.5336	3.2301	3.0122	2.3884	2.9110	2.4313	4.2732	4.5447	3.8976	3.7673
H3	2.6012	2.1632		1.0849	4.0048	4.2244	3.4358	2.6633	2.7695	2.3086	3.8566	3.4692	5.5983	5.1689	4.8437	4.7679
C4	2.1632	1.3464	1.0849		3.0124	3.2298	2.3883	2.2060	2.1778	1.5337	2.9110	2.4313	4.5446	4.2733	3.8977	3.7673
H5	2.7692	2.1778	4.0048	3.0124		1.7797	1.0995	4.0582	3.2169	3.0361	3.0421	2.2103	2.8600	3.7281	2.5118	2.6692
H6	2.6631	2.2057	4.2244	3.2298	1.7797		1.0957	4.1346	4.0578	3.3901	2.3668	2.2234	3.0400	4.0733	3.5691	3.1376
C7	2.3084	1.5336	3.4358	2.3883	1.0995	1.0957		3.3903	3.0358	2.4895	2.1717	1.5729	2.8668	3.5559	2.8470	2.6065
H8	4.2248	3.2301	2.6633	2.2060	4.0582	4.1346	3.3903		1.7797	1.0956	2.3670	2.2233	4.0732	3.0400	3.5691	3.1375
H9	4.0044	3.0122	2.7695	2.1778	3.2169	4.0578	3.0358	1.7797		1.0995	3.0419	2.2101	3.7280	2.8601	2.5118	2.6691
C10	3.4359	2.3884	2.3086	1.5337	3.0361	3.3901	2.4895	1.0956	1.0995		2.1715	1.5727	3.5558	2.8668	2.8471	2.6064
H11	3.8568	2.9110	3.8566	2.9110	3.0421	2.3668	2.1717	2.3670	3.0419	2.1715		1.0971	2.5215	2.5216	3.0773	2.1722
C12	3.4693	2.4313	3.4692	2.4313	2.2103	2.2234	1.5729	2.2233	2.2101	1.5727	1.0971		2.1872	2.1873	2.1734	1.5422
H13	5.1687	4.2732	5.5983	4.5446	2.8600	3.0400	2.8668	4.0732	3.7280	3.5558	2.5215	2.1872		1.7777	1.7796	1.0964
H14	5.5983	4.5447	5.1689	4.2733	3.7281	4.0733	3.5559	3.0400	2.8601	2.8668	2.5216	2.1873	1.7777		1.7796	1.0964
H15	4.8434	3.8976	4.8437	3.8977	2.5118	3.5691	2.8470	3.5691	2.5118	2.8471	3.0773	2.1734	1.7796	1.7796		1.0965
C16	4.7678	3.7673	4.7679	3.7673	2.6692	3.1376	2.6065	3.1375	2.6691	2.6064	2.1722	1.5422	1.0964	1.0964	1.0965

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.332	H1	C2	C7	122.747
C2	C4	H3	125.330	C2	C4	C10	111.878
C2	C7	H5	110.518	C2	C7	H6	112.996
C2	C7	C12	103.000	H3	C4	C10	122.752
C4	C2	C7	111.881	C4	C10	H8	113.007
C4	C10	H9	110.503	C4	C10	C12	103.001
H5	C7	H6	108.335	H5	C7	C12	110.346
H6	C7	C12	111.597	C7	C12	C10	104.633
C7	C12	H11	107.508	C7	C12	C16	113.587
H8	C10	H9	108.332	H8	C10	C12	111.612
H9	C10	C12	110.336	C10	C12	H11	107.509
C10	C12	C16	113.594	H11	C12	C16	109.624
C12	C16	H13	110.846	C12	C16	H14	110.850
C12	C16	H15	109.758	H13	C16	H14	108.331
H13	C16	H15	108.492	H14	C16	H15	108.492

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

using model chemistry: MP2/3-21G

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	ESP
1	H	0.183	0.147
2	C	-0.170	-0.232
3	H	0.183	0.147
4	C	-0.170	-0.232
5	H	0.193	0.060
6	H	0.190	0.038
7	C	-0.393	-0.047
8	H	0.190	0.038
9	H	0.193	0.060
10	C	-0.393	-0.047
11	H	0.197	0.032
12	C	-0.225	0.163
13	H	0.180	0.123
14	H	0.180	0.123
15	H	0.178	0.136
16	C	-0.516	-0.510

	x	y	z
x	8.745	0.000	0.077
y	0.000	9.155	0.000
z	0.077	0.000	6.093

<r²>	167.035
(<r²>)^1/2	12.924

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

using model chemistry: MP2/3-21G

States and conformations

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