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	hartrees
Energy at 0K	-39.849124
Energy at 298.15K	-39.860247
Nuclear repulsion energy	126.278769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3174	3093	49.12
2	A	3141	3061	14.63
3	A	3059	2981	98.13
4	A	3058	2980	47.62
5	A	3025	2947	55.59
6	A	3017	2940	42.78
7	A	2978	2902	10.50
8	A	2973	2897	66.16
9	A	2958	2883	20.52
10	A	2957	2881	74.55
11	A	1646	1604	4.45
12	A	1524	1485	7.49
13	A	1520	1481	2.23
14	A	1517	1479	1.75
15	A	1513	1474	4.68
16	A	1430	1393	4.95
17	A	1371	1336	4.83
18	A	1370	1335	0.18
19	A	1332	1298	0.44
20	A	1311	1278	0.85
21	A	1302	1269	5.36
22	A	1238	1206	0.82
23	A	1170	1141	0.01
24	A	1152	1122	2.90
25	A	1130	1101	0.13
26	A	1112	1083	2.28
27	A	1069	1041	2.24
28	A	997	972	6.92
29	A	977	952	0.21
30	A	971	947	1.76
31	A	939	915	4.98
32	A	925	901	4.51
33	A	906	883	2.06
34	A	808	787	1.71
35	A	774	754	0.87
36	A	713	695	49.26
37	A	580	565	4.60
38	A	424	414	1.19
39	A	388	378	0.06
40	A	316	308	0.12
41	A	244	238	0.01
42	A	95	93	0.13

Atom	x (Å)	y (Å)	z (Å)
H1	-2.492	-1.305	-0.180
C2	-1.607	-0.678	-0.084
H3	-2.492	1.305	-0.180
C4	-1.607	0.678	-0.084
H5	0.133	-1.670	-0.948
H6	-0.110	-2.059	0.758
C7	-0.191	-1.248	0.020
H8	-0.110	2.059	0.758
H9	0.133	1.670	-0.948
C10	-0.191	1.248	0.020
H11	0.783	0.000	1.513
C12	0.684	0.000	0.416
H13	2.673	-0.888	0.101
H14	2.673	0.888	0.101
H15	2.045	-0.000	-1.304
C16	2.102	-0.000	-0.206

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0887	2.6091	2.1729	2.7592	2.6694	2.3106	4.2275	4.0407	3.4425	3.9109	3.4853	5.1892	5.6180	4.8532	4.7755
C2	1.0887		2.1729	1.3554	2.1811	2.2048	1.5303	3.2317	3.0470	2.3926	2.9537	2.4415	4.2890	4.5611	3.9099	3.7722
H3	2.6091	2.1729		1.0887	4.0406	4.2276	3.4424	2.6695	2.7592	2.3107	3.9109	3.4853	5.6180	5.1892	4.8532	4.7756
C4	2.1729	1.3554	1.0887		3.0469	3.2317	2.3926	2.2048	2.1812	1.5304	2.9537	2.4415	4.5611	4.2890	3.9100	3.7723
H5	2.7592	2.1811	4.0406	3.0469		1.7665	1.1043	4.1080	3.3396	3.0909	3.0441	2.2254	2.8570	3.7541	2.5636	2.6861
H6	2.6694	2.2048	4.2276	3.2317	1.7665		1.1000	4.1189	4.1081	3.3896	2.3682	2.2336	3.0895	4.1062	3.6247	3.1718
C7	2.3106	1.5303	3.4424	2.3926	1.1043	1.1000		3.3896	3.0910	2.4956	2.1760	1.5748	2.8872	3.5733	2.8828	2.6199
H8	4.2275	3.2317	2.6695	2.2048	4.1080	4.1189	3.3896		1.7665	1.1000	2.3682	2.2335	4.1062	3.0896	3.6248	3.1719
H9	4.0407	3.0470	2.7592	2.1812	3.3396	4.1081	3.0910	1.7665		1.1043	3.0441	2.2254	3.7542	2.8569	2.5638	2.6862
C10	3.4425	2.3926	2.3107	1.5304	3.0909	3.3896	2.4956	1.1000	1.1043		2.1759	1.5747	3.5733	2.8872	2.8829	2.6199
H11	3.9109	2.9537	3.9109	2.9537	3.0441	2.3682	2.1760	2.3682	3.0441	2.1759		1.1014	2.5204	2.5205	3.0872	2.1663
C12	3.4853	2.4415	3.4853	2.4415	2.2254	2.2336	1.5748	2.2335	2.2254	1.5747	1.1014		2.2003	2.2003	2.1936	1.5478
H13	5.1892	4.2890	5.6180	4.5611	2.8570	3.0895	2.8872	4.1062	3.7542	3.5733	2.5204	2.2003		1.7761	1.7771	1.0995
H14	5.6180	4.5611	5.1892	4.2890	3.7541	4.1062	3.5733	3.0896	2.8569	2.8872	2.5205	2.2003	1.7761		1.7771	1.0995
H15	4.8532	3.9099	4.8532	3.9100	2.5636	3.6247	2.8828	3.6248	2.5638	2.8829	3.0872	2.1936	1.7771	1.7771		1.1001
C16	4.7755	3.7722	4.7756	3.7723	2.6861	3.1718	2.6199	3.1719	2.6862	2.6199	2.1663	1.5478	1.0995	1.0995	1.1001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.154	H1	C2	C7	122.943
C2	C4	H3	125.154	C2	C4	C10	111.871
C2	C7	H5	110.725	C2	C7	H6	112.888
C2	C7	C12	103.670	H3	C4	C10	122.944
C4	C2	C7	111.873	C4	C10	H8	112.885
C4	C10	H9	110.725	C4	C10	C12	103.670
H5	C7	H6	106.524	H5	C7	C12	111.118
H6	C7	C12	112.019	C7	C12	C10	104.818
C7	C12	H11	107.476	C7	C12	C16	114.073
H8	C10	H9	106.523	H8	C10	C12	112.019
H9	C10	C12	111.121	C10	C12	H11	107.475
C10	C12	C16	114.075	H11	C12	C16	108.544
C12	C16	H13	111.310	C12	C16	H14	111.310
C12	C16	H15	110.741	H13	C16	H14	107.743
H13	C16	H15	107.788	H14	C16	H15	107.787

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

using model chemistry: B3LYP/CEP-121G

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	0.148
2	C	-0.076
3	H	0.148
4	C	-0.076
5	H	0.140
6	H	0.135
7	C	-0.386
8	H	0.135
9	H	0.140
10	C	-0.386
11	H	0.134
12	C	0.069
13	H	0.146
14	H	0.146
15	H	0.142
16	C	-0.558

	x	y	z	Total
	0.243	0.000	0.037	0.246
CHELPG
AIM
ESP

	x	y	z
x	10.541	-0.003	0.093
y	-0.003	11.230	-0.001
z	0.093	-0.001	7.693

<r²>	139.334
(<r²>)^1/2	11.804

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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