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	hartrees
Energy at 0K	-38.728576
Energy at 298.15K	-38.739781
Nuclear repulsion energy	126.170299

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3369	3025	29.04
2	A	3293	2957	47.83
3	A	3288	2953	126.08
4	A	3260	2928	57.94
5	A	3253	2921	73.80
6	A	3247	2916	48.02
7	A	3235	2905	38.93
8	A	3209	2882	81.53
9	A	3208	2881	109.21
10	A	3202	2876	40.78
11	A	1875	1684	5.48
12	A	1650	1481	0.20
13	A	1627	1461	0.25
14	A	1617	1452	5.66
15	A	1613	1449	1.08
16	A	1608	1444	7.86
17	A	1551	1392	1.15
18	A	1493	1340	1.37
19	A	1468	1318	0.06
20	A	1458	1310	5.55
21	A	1389	1248	1.71
22	A	1358	1219	1.08
23	A	1339	1203	2.23
24	A	1263	1134	1.65
25	A	1241	1115	1.45
26	A	1176	1056	4.66
27	A	1123	1008	6.68
28	A	1104	991	5.06
29	A	1102	990	1.79
30	A	1006	903	3.26
31	A	981	881	1.27
32	A	956	858	1.64
33	A	939	844	3.03
34	A	909	817	13.13
35	A	871	782	3.44
36	A	683	613	1.21
37	A	602	540	0.02
38	A	453	406	5.11
39	A	328	295	0.51
40	A	259	232	3.58
41	A	190	171	0.56
42	A	167	150	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.753	0.084	-0.003
H2	0.330	2.192	-0.083
C3	-0.033	1.175	-0.023
H4	2.615	-0.550	-0.896
H5	2.664	-0.429	0.859
H6	2.690	1.043	-0.125
C7	2.268	0.041	-0.045
H8	0.249	-1.987	-0.514
H9	-0.011	-1.564	1.171
C10	-0.086	-1.185	0.147
H11	-2.289	-1.232	0.375
H12	-1.714	-0.863	-1.249
C13	-1.520	-0.701	-0.189
H14	-2.138	1.382	-0.598
H15	-1.877	1.049	1.107
C16	-1.511	0.825	0.101

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1512	1.3450	2.1598	2.1583	2.1647	1.5156	2.1917	2.1632	1.5287	3.3358	2.9222	2.4126	3.2247	3.0135	2.3849
H2	2.1512		1.0812	3.6604	3.6337	2.6253	2.8948	4.2014	3.9744	3.4099	4.3344	3.8565	3.4355	2.6481	2.7549	2.3002
C3	1.3450	1.0812		3.2786	3.2599	2.7285	2.5650	3.2120	2.9886	2.3667	3.3224	2.9127	2.3997	2.1917	2.1661	1.5238
H4	2.1598	3.6604	3.2786		1.7601	1.7713	1.0932	2.7942	3.4921	2.9641	5.1112	4.3548	4.1982	5.1394	5.1715	4.4619
H5	2.1583	3.6337	3.2599	1.7601		1.7707	1.0934	3.1852	2.9224	2.9393	5.0408	4.8790	4.3223	5.3352	4.7818	4.4250
H6	2.1647	2.6253	2.7285	1.7713	1.7707		1.0899	3.9102	3.9713	3.5697	5.4966	4.9292	4.5579	4.8633	4.7301	4.2130
C7	1.5156	2.8948	2.5650	1.0932	1.0934	1.0899		2.8998	3.0409	2.6607	4.7494	4.2573	3.8628	4.6384	4.4179	3.8620
H8	2.1917	4.2014	3.2120	2.7942	3.1852	3.9102	2.8998		1.7564	1.0921	2.7928	2.3784	2.2114	4.1297	4.0454	3.3738
H9	2.1632	3.9744	2.9886	3.4921	2.9224	3.9713	3.0409	1.7564		1.0942	2.4361	3.0417	2.2077	4.0418	3.2123	3.0178
C10	1.5287	3.4099	2.3667	2.9641	2.9393	3.5697	2.6607	1.0921	1.0942		2.2151	2.1694	1.5510	3.3700	3.0200	2.4646
H11	3.3358	4.3344	3.3224	5.1112	5.0408	5.4966	4.7494	2.7928	2.4361	2.2151		1.7616	1.0905	2.7929	2.4311	2.2160
H12	2.9222	3.8565	2.9127	4.3548	4.8790	4.9292	4.2573	2.3784	3.0417	2.1694	1.7616		1.0905	2.3761	3.0393	2.1714
C13	2.4126	3.4355	2.3997	4.1982	4.3223	4.5579	3.8628	2.2114	2.2077	1.5510	1.0905	1.0905		2.2108	2.2066	1.5533
H14	3.2247	2.6481	2.1917	5.1394	5.3352	4.8633	4.6384	4.1297	4.0418	3.3700	2.7929	2.3761	2.2108		1.7564	1.0914
H15	3.0135	2.7549	2.1661	5.1715	4.7818	4.7301	4.4179	4.0454	3.2123	3.0200	2.4311	3.0393	2.2066	1.7564		1.0938
C16	2.3849	2.3002	1.5238	4.4619	4.4250	4.2130	3.8620	3.3738	3.0178	2.4646	2.2160	2.1714	1.5533	1.0914	1.0938

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.549	C1	C3	C16	112.313
C1	C7	H4	110.730	C1	C7	H5	110.595
C1	C7	H6	111.317	C1	C10	H8	112.431
C1	C10	H9	110.022	C1	C10	C13	103.138
H2	C3	C16	123.101	C3	C1	C7	127.350
C3	C1	C10	110.724	C3	C16	C13	102.487
C3	C16	H14	112.829	C3	C16	H15	110.607
H4	C7	H5	107.215	H4	C7	H6	108.457
H5	C7	H6	108.394	C7	C1	C10	121.854
H8	C10	H9	106.914	H8	C10	C13	112.419
H9	C10	C13	111.991	C10	C13	H11	112.818
C10	C13	H12	109.186	C10	C13	C16	105.110
H11	C13	H12	107.742	H11	C13	C16	112.726
H12	C13	C16	109.183	C13	C16	H14	112.252
C13	C16	H15	111.766	H14	C16	H15	106.981

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

using model chemistry: HF/CEP-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
1	C	-0.207
2	H	0.304
3	C	-0.382
4	H	0.102
5	H	0.101
6	H	0.137
7	C	-0.215
8	H	0.107
9	H	0.091
10	C	-0.053
11	H	0.127
12	H	0.087
13	C	-0.209
14	H	0.109
15	H	0.091
16	C	-0.189

	x	y	z	Total
	0.082	-0.260	0.110	0.294
CHELPG
AIM
ESP

	x	y	z
x	10.262	-1.039	-0.044
y	-1.039	9.607	-0.081
z	-0.044	-0.081	6.514

<r²>	143.316
(<r²>)^1/2	11.971

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

using model chemistry: HF/CEP-31G*

States and conformations

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