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	hartrees
Energy at 0K	-234.307545
Energy at 298.15K	-234.318455
Nuclear repulsion energy	233.473290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3141	3096	29.97
2	A	3115	3071	9.45
3	A	3053	3010	44.41
4	A	3052	3008	23.75
5	A	3045	3001	27.27
6	A	3003	2960	40.65
7	A	2982	2940	28.25
8	A	2976	2933	24.88
9	A	2947	2905	43.64
10	A	2911	2869	33.38
11	A	1649	1625	1.17
12	A	1483	1461	4.49
13	A	1480	1459	4.23
14	A	1477	1456	1.51
15	A	1460	1439	0.87
16	A	1386	1367	1.71
17	A	1358	1339	3.70
18	A	1310	1291	1.75
19	A	1297	1278	1.08
20	A	1285	1266	3.14
21	A	1265	1247	1.10
22	A	1200	1183	0.78
23	A	1176	1159	0.27
24	A	1120	1104	0.62
25	A	1094	1078	4.11
26	A	1082	1066	3.31
27	A	1050	1035	2.03
28	A	987	973	1.96
29	A	952	938	1.50
30	A	935	921	0.97
31	A	925	912	0.63
32	A	899	886	2.75
33	A	841	829	1.73
34	A	810	798	1.36
35	A	740	729	1.33
36	A	717	706	26.68
37	A	570	561	4.81
38	A	483	477	2.77
39	A	333	329	0.03
40	A	278	274	0.17
41	A	235	232	0.04
42	A	116	114	0.12

Atom	x (Å)	y (Å)	z (Å)
H1	-0.300	2.229	0.107
C2	0.100	1.209	0.093
H3	2.182	1.589	-0.386
C4	1.378	0.879	-0.162
H5	2.157	-0.840	0.901
H6	2.220	-1.029	-0.858
C7	1.609	-0.611	-0.036
H8	0.059	-2.067	0.633
H9	-0.119	-1.485	-1.038
C10	0.166	-1.180	-0.013
H11	-0.908	-0.037	1.524
C12	-0.753	-0.002	0.424
H13	-2.748	0.847	0.081
H14	-2.692	-0.933	0.008
H15	-2.039	0.036	-1.343
C16	-2.136	-0.013	-0.243

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0959	2.6097	2.1706	4.0112	4.2302	3.4250	4.3430	3.8900	3.4427	2.7408	2.2986	2.8111	3.9662	3.1514	2.9185
C2	1.0959		2.1698	1.3448	3.0139	3.2258	2.3676	3.3203	2.9292	2.3920	2.1482	1.5175	2.8708	3.5200	2.8302	2.5697
H3	2.6097	2.1698		1.0953	2.7493	2.6609	2.3004	4.3490	3.8946	3.4453	3.9796	3.4351	5.0070	5.5020	4.5976	4.6072
C4	2.1706	1.3448	1.0953		2.1661	2.1985	1.5131	3.3247	2.9322	2.3941	2.9848	2.3796	4.1337	4.4591	3.7124	3.6265
H5	4.0112	3.0139	2.7493	2.1661		1.7698	1.1097	2.4457	3.0590	2.2175	3.2295	3.0660	5.2520	4.9321	4.8383	4.5194
H6	4.2302	3.2258	2.6609	2.1985	1.7698		1.1057	2.8229	2.3899	2.2256	4.0547	3.3960	5.3926	4.9886	4.4163	4.5144
C7	3.4250	2.3676	2.3004	1.5131	1.1097	1.1057		2.2296	2.1802	1.5513	3.0166	2.4821	4.5961	4.3136	3.9283	3.7979
H8	4.3430	3.3203	4.3490	3.3247	2.4457	2.8229	2.2296		1.7782	1.1029	2.4190	2.2286	4.0837	3.0406	3.5674	3.1311
H9	3.8900	2.9292	3.8946	2.9322	3.0590	2.3899	2.1802	1.7782		1.1060	3.0466	2.1757	3.6874	2.8314	2.4676	2.6195
C10	3.4427	2.3920	3.4453	2.3941	2.2175	2.2256	1.5513	1.1029	1.1060		2.1966	1.5564	3.5510	2.8690	2.8472	2.5909
H11	2.7408	2.1482	3.9796	2.9848	3.2295	4.0547	3.0166	2.4190	3.0466	2.1966		1.1122	2.5003	2.5076	3.0829	2.1526
C12	2.2986	1.5175	3.4351	2.3796	3.0660	3.3960	2.4821	2.2286	2.1757	1.5564	1.1122		2.1953	2.1910	2.1850	1.5353
H13	2.8111	2.8708	5.0070	4.1337	5.2520	5.3926	4.5961	4.0837	3.6874	3.5510	2.5003	2.1953		1.7827	1.7853	1.1044
H14	3.9662	3.5200	5.5020	4.4591	4.9321	4.9886	4.3136	3.0406	2.8314	2.8690	2.5076	2.1910	1.7827		1.7863	1.1044
H15	3.1514	2.8302	4.5976	3.7124	4.8383	4.4163	3.9283	3.5674	2.4676	2.8472	3.0829	2.1850	1.7853	1.7863		1.1047
C16	2.9185	2.5697	4.6072	3.6265	4.5194	4.5144	3.7979	3.1311	2.6195	2.5909	2.1526	1.5353	1.1044	1.1044	1.1047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.275	H1	C2	C12	122.348
C2	C4	H3	125.243	C2	C4	C7	111.746
C2	C12	C10	102.175	C2	C12	H11	108.567
C2	C12	C16	114.655	H3	C4	C7	122.946
C4	C2	C12	112.337	C4	C7	H5	110.412
C4	C7	H6	113.260	C4	C7	C10	102.749
H5	C7	H6	106.041	H5	C7	C10	111.814
H6	C7	C10	112.705	C7	C10	H8	113.206
C7	C10	H9	109.115	C7	C10	C12	106.010
H8	C10	H9	107.227	H8	C10	C12	112.752
H9	C10	C12	108.420	C10	C12	H11	109.672
C10	C12	C16	113.863	H11	C12	C16	107.722
C12	C16	H13	111.495	C12	C16	H14	111.152
C12	C16	H15	110.663	H13	C16	H14	107.621
H13	C16	H15	107.833	H14	C16	H15	107.920

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

using model chemistry: PBEPBE/6-31G*

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	H	0.127
2	C	-0.097
3	H	0.130
4	C	-0.120
5	H	0.158
6	H	0.154
7	C	-0.336
8	H	0.146
9	H	0.154
10	C	-0.310
11	H	0.148
12	C	-0.133
13	H	0.154
14	H	0.156
15	H	0.158
16	C	-0.489

	x	y	z	Total
	-0.003	-0.144	0.121	0.188
CHELPG
AIM
ESP

	x	y	z
x	11.165	-0.346	-0.501
y	-0.346	9.100	-0.117
z	-0.501	-0.117	6.986

<r²>	165.990
(<r²>)^1/2	12.884

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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