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	hartrees
Energy at 0K	-234.571477
Energy at 298.15K	-234.582569
Nuclear repulsion energy	234.489907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3211	3099	22.15
2	A	3184	3072	7.21
3	A	3118	3009	39.29
4	A	3118	3009	22.77
5	A	3109	3000	26.74
6	A	3074	2966	34.88
7	A	3045	2938	26.71
8	A	3033	2927	28.49
9	A	3015	2909	44.70
10	A	2982	2878	32.72
11	A	1697	1637	1.50
12	A	1470	1419	2.95
13	A	1467	1415	5.26
14	A	1466	1415	3.79
15	A	1448	1397	1.37
16	A	1389	1340	1.75
17	A	1381	1333	5.00
18	A	1330	1284	0.70
19	A	1318	1272	0.71
20	A	1300	1255	3.12
21	A	1278	1234	1.03
22	A	1221	1178	0.58
23	A	1194	1153	0.27
24	A	1140	1101	0.94
25	A	1112	1073	5.09
26	A	1097	1059	3.31
27	A	1067	1030	3.04
28	A	1008	972	2.33
29	A	968	934	0.17
30	A	962	928	2.64
31	A	951	918	0.44
32	A	918	886	3.19
33	A	861	831	2.47
34	A	825	796	1.35
35	A	758	731	1.83
36	A	737	711	28.22
37	A	582	562	4.53
38	A	495	477	2.62
39	A	341	329	0.05
40	A	287	277	0.14
41	A	240	232	0.02
42	A	122	118	0.10

Atom	x (Å)	y (Å)	z (Å)
H1	-0.292	2.223	0.096
C2	0.102	1.203	0.086
H3	2.176	1.583	-0.380
C4	1.375	0.874	-0.159
H5	2.136	-0.834	0.913
H6	2.219	-1.030	-0.840
C7	1.600	-0.611	-0.029
H8	0.050	-2.065	0.612
H9	-0.113	-1.466	-1.049
C10	0.164	-1.173	-0.022
H11	-0.892	-0.034	1.516
C12	-0.748	-0.003	0.417
H13	-2.739	0.843	0.101
H14	-2.682	-0.932	0.015
H15	-2.046	0.045	-1.333
C16	-2.129	-0.012	-0.235

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0935	2.5939	2.1600	3.9890	4.2152	3.4102	4.3332	3.8666	3.4287	2.7337	2.2953	2.8094	3.9586	3.1403	2.9117
C2	1.0935		2.1596	1.3376	2.9953	3.2139	2.3557	3.3111	2.9083	2.3794	2.1362	1.5124	2.8637	3.5088	2.8229	2.5605
H3	2.5939	2.1596		1.0930	2.7423	2.6539	2.2959	4.3378	3.8710	3.4312	3.9527	3.4210	4.9937	5.4845	4.5933	4.5933
C4	2.1600	1.3376	1.0930		2.1556	2.1910	1.5074	3.3146	2.9117	2.3817	2.9611	2.3680	4.1220	4.4435	3.7101	3.6147
H5	3.9890	2.9953	2.7423	2.1556		1.7661	1.1070	2.4403	3.0509	2.2081	3.1888	3.0421	5.2186	4.9013	4.8274	4.4925
H6	4.2152	3.2139	2.6539	2.1910	1.7661		1.1028	2.8079	2.3822	2.2166	4.0276	3.3822	5.3830	4.9760	4.4261	4.5069
C7	3.4102	2.3557	2.2959	1.5074	1.1070	1.1028		2.2197	2.1692	1.5417	2.9882	2.4662	4.5778	4.2937	3.9270	3.7824
H8	4.3332	3.3111	4.3378	3.3146	2.4403	2.8079	2.2197		1.7738	1.1005	2.4148	2.2200	4.0618	3.0174	3.5539	3.1120
H9	3.8666	2.9083	3.8710	2.9117	3.0509	2.3822	2.1692	1.7738		1.1038	3.0392	2.1656	3.6803	2.8308	2.4691	2.6154
C10	3.4287	2.3794	3.4312	2.3817	2.2081	2.2166	1.5417	1.1005	1.1038		2.1857	1.5469	3.5364	2.8563	2.8437	2.5794
H11	2.7337	2.1362	3.9527	2.9611	3.1888	4.0276	2.9882	2.4148	3.0392	2.1857		1.1095	2.4869	2.5027	3.0752	2.1444
C12	2.2953	1.5124	3.4210	2.3680	3.0421	3.3822	2.4662	2.2200	2.1656	1.5469	1.1095		2.1859	2.1821	2.1788	1.5268
H13	2.8094	2.8637	4.9937	4.1220	5.2186	5.3830	4.5778	4.0618	3.6803	3.5364	2.4869	2.1859		1.7775	1.7812	1.1021
H14	3.9586	3.5088	5.4845	4.4435	4.9013	4.9760	4.2937	3.0174	2.8308	2.8563	2.5027	2.1821	1.7775		1.7821	1.1021
H15	3.1403	2.8229	4.5933	3.7101	4.8274	4.4261	3.9270	3.5539	2.4691	2.8437	3.0752	2.1788	1.7812	1.7821		1.1028
C16	2.9117	2.5605	4.5933	3.6147	4.4925	4.5069	3.7824	3.1120	2.6154	2.5794	2.1444	1.5268	1.1021	1.1021	1.1028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.061	H1	C2	C12	122.656
C2	C4	H3	125.077	C2	C4	C7	111.657
C2	C12	C10	102.107	C2	C12	H11	108.141
C2	C12	C16	114.806	H3	C4	C7	123.203
C4	C2	C12	112.234	C4	C7	H5	110.141
C4	C7	H6	113.243	C4	C7	C10	102.723
H5	C7	H6	106.108	H5	C7	C10	111.908
H6	C7	C10	112.845	C7	C10	H8	113.245
C7	C10	H9	109.042	C7	C10	C12	105.972
H8	C10	H9	107.160	H8	C10	C12	112.889
H9	C10	C12	108.416	C10	C12	H11	109.639
C10	C12	C16	114.104	H11	C12	C16	107.809
C12	C16	H13	111.485	C12	C16	H14	111.180
C12	C16	H15	110.875	H13	C16	H14	107.501
H13	C16	H15	107.778	H14	C16	H15	107.850

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

using model chemistry: B3PW91/cc-pVDZ

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	-0.005
2	C	0.006
3	H	-0.002
4	C	-0.066
5	H	0.046
6	H	0.038
7	C	-0.026
8	H	0.026
9	H	0.034
10	C	-0.018
11	H	0.030
12	C	-0.146
13	H	0.038
14	H	0.038
15	H	0.040
16	C	-0.035

	x	y	z	Total
	-0.017	-0.156	0.133	0.206
CHELPG
AIM
ESP

	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>	164.954
(<r²>)^1/2	12.843

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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