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	hartrees
Energy at 0K	-233.219394
Energy at 298.15K	-233.230382
Nuclear repulsion energy	231.675011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3139	3121	31.46
2	A	3110	3093	7.52
3	A	3028	3012	61.79
4	A	3021	3005	25.71
5	A	3002	2986	25.10
6	A	2994	2978	30.17
7	A	2974	2958	3.61
8	A	2964	2948	30.63
9	A	2941	2924	19.76
10	A	2940	2924	36.10
11	A	1621	1612	1.78
12	A	1535	1527	6.29
13	A	1529	1521	2.49
14	A	1509	1500	0.86
15	A	1505	1497	1.30
16	A	1425	1417	2.52
17	A	1354	1347	0.10
18	A	1344	1336	4.46
19	A	1323	1316	0.03
20	A	1285	1278	1.37
21	A	1278	1271	6.27
22	A	1242	1235	0.84
23	A	1174	1167	0.47
24	A	1132	1126	0.11
25	A	1126	1120	3.72
26	A	1091	1085	0.29
27	A	1027	1021	0.75
28	A	966	960	3.78
29	A	942	937	0.00
30	A	939	934	3.95
31	A	924	919	1.66
32	A	899	894	2.62
33	A	876	871	2.40
34	A	782	777	1.40
35	A	761	757	0.55
36	A	685	681	38.48
37	A	573	569	5.81
38	A	413	411	1.28
39	A	382	380	0.07
40	A	318	316	0.20
41	A	254	253	0.03
42	A	91	91	0.04

Atom	x (Å)	y (Å)	z (Å)
H1	-2.455	-1.305	-0.186
C2	-1.571	-0.673	-0.086
H3	-2.455	1.305	-0.186
C4	-1.571	0.673	-0.086
H5	0.170	-1.661	-0.956
H6	-0.078	-2.063	0.766
C7	-0.155	-1.253	0.020
H8	-0.079	2.062	0.766
H9	0.171	1.661	-0.956
C10	-0.155	1.253	0.021
H11	0.827	0.000	1.521
C12	0.726	0.000	0.422
H13	2.708	-0.893	0.078
H14	2.708	0.893	0.078
H15	2.047	0.000	-1.324
C16	2.134	-0.000	-0.224

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0910	2.6105	2.1688	2.7592	2.6697	2.3094	4.2302	4.0358	3.4457	3.9226	3.4916	5.1858	5.6176	4.8233	4.7712
C2	1.0910		2.1689	1.3459	2.1835	2.2106	1.5337	3.2308	3.0398	2.3925	2.9644	2.4473	4.2879	4.5598	3.8827	3.7686
H3	2.6105	2.1689		1.0910	4.0354	4.2305	3.4457	2.6697	2.7592	2.3094	3.9227	3.4916	5.6175	5.1859	4.8231	4.7712
C4	2.1688	1.3459	1.0910		3.0395	3.2309	2.3925	2.2105	2.1836	1.5338	2.9645	2.4473	4.5598	4.2881	3.8826	3.7686
H5	2.7592	2.1835	4.0354	3.0395		1.7860	1.1079	4.1102	3.3223	3.0903	3.0543	2.2288	2.8456	3.7461	2.5326	2.6742
H6	2.6697	2.2106	4.2305	3.2309	1.7860		1.1036	4.1251	4.1104	3.3988	2.3757	2.2405	3.0988	4.1198	3.6247	3.1825
C7	2.3094	1.5337	3.4457	2.3925	1.1079	1.1036		3.3987	3.0905	2.5051	2.1876	1.5833	2.8862	3.5786	2.8681	2.6211
H8	4.2302	3.2308	2.6697	2.2105	4.1102	4.1251	3.3987		1.7860	1.1036	2.3755	2.2404	4.1199	3.0991	3.6248	3.1827
H9	4.0358	3.0398	2.7592	2.1836	3.3223	4.1104	3.0905	1.7860		1.1079	3.0543	2.2289	3.7462	2.8457	2.5327	2.6743
C10	3.4457	2.3925	2.3094	1.5338	3.0903	3.3988	2.5051	1.1036	1.1079		2.1876	1.5833	3.5786	2.8863	2.8681	2.6211
H11	3.9226	2.9644	3.9227	2.9645	3.0543	2.3757	2.1876	2.3755	3.0543	2.1876		1.1040	2.5337	2.5336	3.0960	2.1805
C12	3.4916	2.4473	3.4916	2.4473	2.2288	2.2405	1.5833	2.2404	2.2289	1.5833	1.1040		2.2009	2.2009	2.1893	1.5491
H13	5.1858	4.2879	5.6175	4.5598	2.8456	3.0988	2.8862	4.1199	3.7462	3.5786	2.5337	2.2009		1.7867	1.7894	1.1038
H14	5.6176	4.5598	5.1859	4.2881	3.7461	4.1198	3.5786	3.0991	2.8457	2.8863	2.5336	2.2009	1.7867		1.7894	1.1038
H15	4.8233	3.8827	4.8231	3.8826	2.5326	3.6247	2.8681	3.6248	2.5327	2.8681	3.0960	2.1893	1.7894	1.7894		1.1039
C16	4.7712	3.7686	4.7712	3.7686	2.6742	3.1825	2.6211	3.1827	2.6743	2.6211	2.1805	1.5491	1.1038	1.1038	1.1039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.417	H1	C2	C7	122.344
C2	C4	H3	125.420	C2	C4	C10	112.203
C2	C7	H5	110.457	C2	C7	H6	112.886
C2	C7	C12	103.452	H3	C4	C10	122.342
C4	C2	C7	112.204	C4	C10	H8	112.875
C4	C10	H9	110.463	C4	C10	C12	103.452
H5	C7	H6	107.727	H5	C7	C12	110.579
H6	C7	C12	111.750	C7	C12	C10	104.577
C7	C12	H11	107.652	C7	C12	C16	113.597
H8	C10	H9	107.727	H8	C10	C12	111.746
H9	C10	C12	110.586	C10	C12	H11	107.652
C10	C12	C16	113.600	H11	C12	C16	109.402
C12	C16	H13	111.005	C12	C16	H14	111.006
C12	C16	H15	110.088	H13	C16	H14	108.065
H13	C16	H15	108.291	H14	C16	H15	108.290

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

using model chemistry: BLYP/3-21G

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	0.153
2	C	-0.141
3	H	0.153
4	C	-0.141
5	H	0.182
6	H	0.176
7	C	-0.371
8	H	0.176
9	H	0.182
10	C	-0.371
11	H	0.181
12	C	-0.184
13	H	0.173
14	H	0.173
15	H	0.173
16	C	-0.512

	x	y	z	Total
	0.199	0.000	-0.001	0.199
CHELPG
AIM
ESP

<r²>	167.785
(<r²>)^1/2	12.953

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

using model chemistry: BLYP/3-21G

States and conformations

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