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	hartrees
Energy at 0K	-234.728666
Energy at 298.15K	-234.739579
HF Energy	-234.728666
Nuclear repulsion energy	233.361526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3174	3064	17.85
2	A	3099	2992	24.82
3	A	3093	2986	43.91
4	A	3057	2952	60.31
5	A	3052	2946	23.38
6	A	3043	2938	38.42
7	A	3036	2931	8.40
8	A	3012	2908	43.75
9	A	2998	2894	54.28
10	A	2995	2892	36.72
11	A	1715	1656	3.26
12	A	1514	1462	1.84
13	A	1496	1444	6.58
14	A	1492	1440	3.11
15	A	1489	1437	0.90
16	A	1484	1432	9.32
17	A	1419	1370	1.98
18	A	1363	1316	2.05
19	A	1330	1284	1.98
20	A	1323	1277	2.05
21	A	1293	1248	1.10
22	A	1249	1206	1.49
23	A	1236	1193	1.70
24	A	1172	1132	1.37
25	A	1161	1121	0.89
26	A	1094	1056	1.37
27	A	1037	1001	3.28
28	A	1030	995	5.96
29	A	1025	989	3.47
30	A	938	906	2.41
31	A	914	883	0.47
32	A	901	870	1.20
33	A	875	845	0.20
34	A	834	805	7.89
35	A	805	777	8.99
36	A	661	638	1.59
37	A	581	561	0.05
38	A	444	429	4.35
39	A	323	312	0.62
40	A	242	234	2.64
41	A	178	172	0.75
42	A	132	127	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.740	-0.037	-0.034
H2	0.349	-2.102	-0.237
C3	-0.033	-1.129	-0.109
H4	2.596	-0.632	0.830
H5	2.614	0.975	0.109
H6	2.634	-0.453	-0.926
C7	2.223	-0.037	-0.007
H8	0.040	1.557	1.155
H9	0.197	1.977	-0.570
C10	-0.076	1.184	0.130
H11	-1.611	0.728	-1.270
H12	-2.315	1.278	0.255
C13	-1.510	0.683	-0.185
H14	-1.646	-0.965	1.241
H15	-2.169	-1.427	-0.396
C16	-1.458	-0.820	0.173

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1107	1.3396	2.1329	2.1351	2.1351	1.4834	2.1087	2.1543	1.4779	2.7632	3.3381	2.3666	2.8600	3.2432	2.3422
H2	2.1107		1.0530	2.8890	3.8357	2.9006	2.7977	3.9271	4.0957	3.3337	3.5941	4.3315	3.3487	2.7315	2.6120	2.2537
C3	1.3396	1.0530		2.8360	3.3884	2.8705	2.5085	2.9699	3.1491	2.3261	2.6992	3.3365	2.3388	2.1102	2.1752	1.4853
H4	2.1329	2.8890	2.8360		1.7615	1.7660	1.0931	3.3815	3.8118	3.3064	4.8948	5.3010	4.4295	4.2754	4.9839	4.1117
H5	2.1351	3.8357	3.3884	1.7615		1.7637	1.0904	2.8388	2.7037	2.6983	4.4508	4.9405	4.1447	4.8160	5.3755	4.4507
H6	2.1351	2.9006	2.8705	1.7660	1.7637		1.0904	3.8863	3.4606	3.3380	4.4196	5.3746	4.3605	4.8253	4.9293	4.2535
C7	1.4834	2.7977	2.5085	1.0931	1.0904	1.0904		2.9415	2.9116	2.6062	4.1078	4.7313	3.8053	4.1698	4.6225	3.7676
H8	2.1087	3.9271	2.9699	3.3815	2.8388	3.8863	2.9415		1.7825	1.0971	3.0482	2.5367	2.2275	3.0352	4.0234	2.9767
H9	2.1543	4.0957	3.1491	3.8118	2.7037	3.4606	2.9116	1.7825		1.0926	2.3058	2.7350	2.1767	3.9161	4.1490	3.3344
C10	1.4779	3.3337	2.3261	3.3064	2.6983	3.3380	2.6062	1.0971	1.0926		2.1264	2.2444	1.5512	2.8844	3.3871	2.4351
H11	2.7632	3.5941	2.6992	4.8948	4.4508	4.4196	4.1078	3.0482	2.3058	2.1264		1.7671	1.0907	3.0287	2.3914	2.1219
H12	3.3381	4.3315	3.3365	5.3010	4.9405	5.3746	4.7313	2.5367	2.7350	2.2444	1.7671		1.0933	2.5394	2.7853	2.2674
C13	2.3666	3.3487	2.3388	4.4295	4.1447	4.3605	3.8053	2.2275	2.1767	1.5512	1.0907	1.0933		2.1832	2.2200	1.5457
H14	2.8600	2.7315	2.1102	4.2754	4.8160	4.8253	4.1698	3.0352	3.9161	2.8844	3.0287	2.5394	2.1832		1.7794	1.0941
H15	3.2432	2.6120	2.1752	4.9839	5.3755	4.9293	4.6225	4.0234	4.1490	3.3871	2.3914	2.7853	2.2200	1.7794		1.0938
C16	2.3422	2.2537	1.4853	4.1117	4.4507	4.2535	3.7676	2.9767	3.3344	2.4351	2.1219	2.2674	1.5457	1.0941	1.0938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	123.371	C1	C3	C16	111.909
C1	C7	H4	110.848	C1	C7	H5	111.190
C1	C7	H6	111.190	C1	C10	H8	109.054
C1	C10	H9	113.022	C1	C10	C13	102.730
H2	C3	C16	124.330	C3	C1	C7	125.319
C3	C1	C10	111.199	C3	C16	C13	100.977
C3	C16	H14	108.836	C3	C16	H15	114.138
H4	C7	H5	107.554	H4	C7	H6	107.957
H5	C7	H6	107.949	C7	C1	C10	123.310
H8	C10	H9	108.989	H8	C10	C13	113.403
H9	C10	C13	109.613	C10	C13	H11	105.877
C10	C13	H12	115.043	C10	C13	C16	103.678
H11	C13	H12	108.019	H11	C13	C16	105.899
H12	C13	C16	117.420	C13	C16	H14	110.420
C13	C16	H15	113.389	H14	C16	H15	108.835

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

using model chemistry: B3LYP/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	C	0.020
2	H	0.108
3	C	-0.137
4	H	0.120
5	H	0.124
6	H	0.125
7	C	-0.375
8	H	0.121
9	H	0.121
10	C	-0.243
11	H	0.130
12	H	0.120
13	C	-0.260
14	H	0.118
15	H	0.117
16	C	-0.210

	x	y	z	Total
	-0.117	-0.214	0.072	0.254
CHELPG
AIM
ESP

	x	y	z
x	11.843	0.913	0.049
y	0.913	10.876	-0.085
z	0.049	-0.085	8.057

<r²>	170.806
(<r²>)^1/2	13.069

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

using model chemistry: B3LYP/TZVP

States and conformations

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