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	hartrees
Energy at 0K	-232.941947
Energy at 298.15K	-232.953407
Nuclear repulsion energy	234.398048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3412	3071	39.17
2	A	3377	3039	11.75
3	A	3282	2953	136.86
4	A	3272	2944	21.11
5	A	3265	2938	65.87
6	A	3249	2924	53.54
7	A	3222	2899	40.63
8	A	3200	2880	75.99
9	A	3188	2869	53.55
10	A	3179	2860	48.23
11	A	1815	1633	2.66
12	A	1658	1492	4.34
13	A	1647	1482	6.69
14	A	1645	1480	5.90
15	A	1640	1476	3.00
16	A	1563	1406	5.03
17	A	1524	1371	8.88
18	A	1478	1330	0.31
19	A	1472	1325	0.12
20	A	1452	1307	3.27
21	A	1443	1298	1.31
22	A	1354	1218	1.02
23	A	1323	1191	0.15
24	A	1256	1131	1.79
25	A	1232	1109	4.88
26	A	1220	1098	10.92
27	A	1169	1052	2.29
28	A	1104	994	0.29
29	A	1091	982	1.91
30	A	1068	961	2.04
31	A	1024	922	1.74
32	A	972	874	6.10
33	A	923	831	1.89
34	A	892	803	3.99
35	A	831	748	59.47
36	A	826	743	0.75
37	A	651	586	7.62
38	A	539	485	2.67
39	A	367	330	0.07
40	A	306	276	0.15
41	A	251	226	0.03
42	A	105	94	0.17

Atom	x (Å)	y (Å)	z (Å)
H1	-0.291	2.209	0.132
C2	0.101	1.209	0.113
H3	2.146	1.587	-0.390
C4	1.366	0.888	-0.158
H5	2.192	-0.850	0.816
H6	2.153	-0.996	-0.920
C7	1.606	-0.609	-0.067
H8	0.098	-2.022	0.707
H9	-0.136	-1.551	-0.958
C10	0.167	-1.189	0.019
H11	-0.933	-0.037	1.508
C12	-0.755	-0.006	0.435
H13	-2.728	0.834	0.046
H14	-2.673	-0.918	-0.039
H15	-2.001	0.046	-1.346
C16	-2.123	-0.011	-0.269

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0736	2.5686	2.1390	3.9985	4.1650	3.4030	4.2874	3.9171	3.4302	2.7103	2.2824	2.7996	3.9338	3.1275	2.9051
C2	1.0736		2.1394	1.3332	3.0178	3.1841	2.3677	3.2859	2.9700	2.4012	2.1374	1.5210	2.8552	3.4989	2.8103	2.5649
H3	2.5686	2.1394		1.0728	2.7197	2.6368	2.2850	4.2928	3.9216	3.4340	3.9648	3.4111	4.9514	5.4423	4.5257	4.5594
C4	2.1390	1.3332	1.0728		2.1566	2.1787	1.5191	3.2904	2.9739	2.4049	2.9862	2.3773	4.1001	4.4259	3.6681	3.6044
H5	3.9985	3.0178	2.7197	2.1566		1.7426	1.0865	2.4027	3.0101	2.2029	3.3025	3.0896	5.2573	4.9398	4.8016	4.5274
H6	4.1650	3.1841	2.6368	2.1787	1.7426		1.0843	2.8150	2.3560	2.2052	4.0421	3.3578	5.3016	4.9062	4.3034	4.4356
C7	3.4030	2.3677	2.2850	1.5191	1.0865	1.0843		2.2070	2.1719	1.5542	3.0425	2.4888	4.5701	4.2903	3.8827	3.7821
H8	4.2874	3.2859	4.2928	3.2904	2.4027	2.8150	2.2070		1.7461	1.0829	2.3766	2.2066	4.0721	3.0742	3.5910	3.1509
H9	3.9171	2.9700	3.9216	2.9739	3.0101	2.3560	2.1719	1.7461		1.0846	3.0015	2.1705	3.6621	2.7711	2.4851	2.6060
C10	3.4302	2.4012	3.4340	2.4049	2.2029	2.2052	1.5542	1.0829	1.0846		2.1810	1.5571	3.5320	2.8531	2.8435	2.5909
H11	2.7103	2.1374	3.9648	2.9862	3.3025	4.0421	3.0425	2.3766	3.0015	2.1810		1.0880	2.4738	2.4890	3.0481	2.1385
C12	2.2824	1.5210	3.4111	2.3773	3.0896	3.3578	2.4888	2.2066	2.1705	1.5571	1.0880		2.1793	2.1755	2.1737	1.5378
H13	2.7996	2.8552	4.9514	4.1001	5.2573	5.3016	4.5701	4.0721	3.6621	3.5320	2.4738	2.1793		1.7545	1.7565	1.0858
H14	3.9338	3.4989	5.4423	4.4259	4.9398	4.9062	4.2903	3.0742	2.7711	2.8531	2.4890	2.1755	1.7545		1.7578	1.0857
H15	3.1275	2.8103	4.5257	3.6681	4.8016	4.3034	3.8827	3.5910	2.4851	2.8435	3.0481	2.1737	1.7565	1.7578		1.0852
C16	2.9051	2.5649	4.5594	3.6044	4.5274	4.4356	3.7821	3.1509	2.6060	2.5909	2.1385	1.5378	1.0858	1.0857	1.0852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.090	H1	C2	C12	122.264
C2	C4	H3	125.192	C2	C4	C7	112.051
C2	C12	C10	102.528	C2	C12	H11	108.881
C2	C12	C16	113.971	H3	C4	C7	122.738
C4	C2	C12	112.631	C4	C7	H5	110.619
C4	C7	H6	112.547	C4	C7	C10	102.975
H5	C7	H6	106.784	H5	C7	C10	111.846
H6	C7	C10	112.168	C7	C10	H8	112.398
C7	C10	H9	109.499	C7	C10	C12	106.247
H8	C10	H9	107.325	H8	C10	C12	112.153
H9	C10	C12	109.188	C10	C12	H11	109.810
C10	C12	C16	113.677	H11	C12	C16	107.830
C12	C16	H13	111.160	C12	C16	H14	110.865
C12	C16	H15	110.744	H13	C16	H14	107.794
H13	C16	H15	108.013	H14	C16	H15	108.138

All results from a given calculation for C₆H₁₀ (Cyclopentene, 3-methyl-)

using model chemistry: HF/LANL2DZ

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	0.212
2	C	-0.217
3	H	0.208
4	C	-0.218
5	H	0.177
6	H	0.176
7	C	-0.358
8	H	0.181
9	H	0.166
10	C	-0.385
11	H	0.176
12	C	-0.061
13	H	0.170
14	H	0.175
15	H	0.173
16	C	-0.575

	x	y	z	Total
	-0.034	-0.268	0.137	0.303
CHELPG
AIM
ESP

	x	y	z
x	10.652	-0.444	-0.609
y	-0.444	8.316	-0.057
z	-0.609	-0.057	6.582

<r²>	165.584
(<r²>)^1/2	12.868

All results from a given calculation for C6H10 (Cyclopentene, 3-methyl-)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 3-methyl-)