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	hartrees
Energy at 0K	-234.564936
Energy at 298.15K	-234.575819
Nuclear repulsion energy	233.314913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3203	3064	22.05
2	A	3137	3001	22.78
3	A	3126	2991	41.79
4	A	3089	2955	25.07
5	A	3084	2950	58.91
6	A	3072	2939	32.61
7	A	3064	2931	9.87
8	A	3037	2905	43.94
9	A	3022	2891	53.93
10	A	3021	2890	38.26
11	A	1745	1669	2.37
12	A	1533	1466	0.83
13	A	1515	1450	6.20
14	A	1512	1446	1.05
15	A	1505	1440	0.23
16	A	1504	1439	9.31
17	A	1436	1374	1.52
18	A	1379	1320	1.46
19	A	1347	1289	0.72
20	A	1341	1282	2.41
21	A	1296	1240	1.69
22	A	1264	1209	1.34
23	A	1243	1190	1.16
24	A	1187	1136	0.94
25	A	1166	1115	1.23
26	A	1100	1052	0.24
27	A	1058	1012	2.27
28	A	1037	992	6.45
29	A	1032	987	5.81
30	A	954	913	1.44
31	A	930	889	0.63
32	A	911	872	0.39
33	A	885	847	0.40
34	A	841	805	4.49
35	A	809	774	9.00
36	A	656	627	1.94
37	A	580	555	0.16
38	A	442	423	3.24
39	A	317	304	0.60
40	A	242	231	2.13
41	A	180	172	0.64
42	A	136	130	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.757	0.072	-0.001
H2	-0.336	2.179	-0.071
C3	0.029	1.156	-0.023
H4	-2.658	-0.448	0.859
H5	-2.610	-0.555	-0.897
H6	-2.682	1.036	-0.113
C7	-2.250	0.033	-0.041
H8	-0.026	-1.600	1.147
H9	-0.255	-1.983	-0.553
C10	0.072	-1.188	0.130
H11	1.744	-0.898	-1.217
H12	2.263	-1.232	0.435
C13	1.509	-0.710	-0.163
H14	1.875	1.069	1.090
H15	2.119	1.363	-0.626
C16	1.492	0.815	0.089

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1499	1.3385	2.1511	2.1517	2.1559	1.4946	2.1560	2.1866	1.5136	2.9454	3.3189	2.4030	3.0181	3.2136	2.3696
H2	2.1499		1.0880	3.6281	3.6512	2.6103	2.8766	3.9828	4.1912	3.3976	3.8874	4.3190	3.4297	2.7328	2.6458	2.2863
C3	1.3385	1.0880		3.2515	3.2641	2.7152	2.5410	2.9942	3.1958	2.3485	2.9300	3.3023	2.3857	2.1571	2.1850	1.5059
H4	2.1511	3.6281	3.2515		1.7598	1.7745	1.0990	2.8872	3.1821	2.9210	4.8885	5.0019	4.2993	4.7859	5.3207	4.4058
H5	2.1517	3.6512	3.2641	1.7598		1.7752	1.0988	3.4558	2.7753	2.9405	4.3798	5.0974	4.1873	5.1669	5.1104	4.4352
H6	2.1559	2.6103	2.7152	1.7745	1.7752		1.0948	3.9482	3.8986	3.5479	4.9552	5.4685	4.5410	4.7131	4.8394	4.1844
C7	1.4946	2.8766	2.5410	1.0990	1.0988	1.0948		3.0036	2.8821	2.6288	4.2671	4.7118	3.8344	4.4010	4.6047	3.8250
H8	2.1560	3.9828	2.9942	2.8872	3.4558	3.9482	3.0036		1.7577	1.1018	3.0358	2.4260	2.2060	3.2773	4.0654	3.0424
H9	2.1866	4.1912	3.1958	3.1821	2.7753	3.8986	2.8821	1.7577		1.0985	2.3700	2.8079	2.2109	4.0683	4.1038	3.3605
C10	1.5136	3.3976	2.3485	2.9210	2.9405	3.5479	2.6288	1.1018	1.0985		2.1669	2.2132	1.5430	3.0435	3.3570	2.4551
H11	2.9454	3.8874	2.9300	4.8885	4.3798	4.9552	4.2671	3.0358	2.3700	2.1669		1.7633	1.0962	3.0339	2.3670	2.1685
H12	3.3189	4.3190	3.3023	5.0019	5.0974	5.4685	4.7118	2.4260	2.8079	2.2132	1.7633		1.0948	2.4239	2.8081	2.2153
C13	2.4030	3.4297	2.3857	4.2993	4.1873	4.5410	3.8344	2.2060	2.2109	1.5430	1.0962	1.0948		2.2058	2.2102	1.5456
H14	3.0181	2.7328	2.1571	4.7859	5.1669	4.7131	4.4010	3.2773	4.0683	3.0435	3.0339	2.4239	2.2058		1.7579	1.1015
H15	3.2136	2.6458	2.1850	5.3207	5.1104	4.8394	4.6047	4.0654	4.1038	3.3570	2.3670	2.8081	2.2102	1.7579		1.0978
C16	2.3696	2.2863	1.5059	4.4058	4.4352	4.1844	3.8250	3.0424	3.3605	2.4551	2.1685	2.2153	1.5456	1.1015	1.0978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.433	C1	C3	C16	112.703
C1	C7	H4	111.159	C1	C7	H5	111.219
C1	C7	H6	111.811	C1	C10	H8	110.046
C1	C10	H9	112.698	C1	C10	C13	103.651
H2	C3	C16	122.811	C3	C1	C7	127.425
C3	C1	C10	110.710	C3	C16	C13	102.848
C3	C16	H14	110.691	C3	C16	H15	113.180
H4	C7	H5	106.399	H4	C7	H6	107.976
H5	C7	H6	108.049	C7	C1	C10	121.823
H8	C10	H9	106.044	H8	C10	C13	111.967
H9	C10	C13	112.561	C10	C13	H11	109.211
C10	C13	H12	112.978	C10	C13	C16	105.292
H11	C13	H12	107.182	H11	C13	C16	109.156
H12	C13	C16	112.960	C13	C16	H14	111.783
C13	C16	H15	112.355	H14	C16	H15	106.127

All results from a given calculation for C₆H₁₀ (Cyclopentene, 1-methyl-)

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	0.158	0.218
2	H	0.144	0.143
3	C	-0.181	-0.333
4	H	0.176	0.160
5	H	0.176	0.167
6	H	0.177	0.171
7	C	-0.580	-0.616
8	H	0.166	0.033
9	H	0.162	0.020
10	C	-0.370	0.007
11	H	0.170	0.074
12	H	0.160	0.057
13	C	-0.333	-0.212
14	H	0.167	0.032
15	H	0.164	0.024
16	C	-0.355	0.054

	x	y	z	Total
	-0.147	-0.185	0.054	0.243
CHELPG
AIM
ESP	-0.156	-0.199	0.061	0.260

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	170.031
(<r²>)^1/2	13.040

All results from a given calculation for C6H10 (Cyclopentene, 1-methyl-)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 1-methyl-)