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	hartrees
Energy at 0K	-39.832204
Energy at 298.15K	-39.843234
Nuclear repulsion energy	125.715543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3208	3106	40.21
2	A	3168	3068	10.68
3	A	3113	3014	148.09
4	A	3105	3006	9.23
5	A	3102	3004	71.25
6	A	3072	2975	59.91
7	A	3044	2948	39.77
8	A	3021	2926	46.92
9	A	3018	2922	71.16
10	A	2991	2896	48.85
11	A	1661	1608	2.67
12	A	1514	1466	4.01
13	A	1510	1462	7.42
14	A	1508	1461	6.29
15	A	1498	1450	2.48
16	A	1423	1378	5.26
17	A	1384	1340	8.23
18	A	1338	1295	0.31
19	A	1327	1285	0.07
20	A	1312	1270	3.95
21	A	1306	1265	0.86
22	A	1223	1184	1.16
23	A	1203	1165	0.16
24	A	1145	1109	1.93
25	A	1120	1084	5.64
26	A	1106	1071	10.64
27	A	1078	1044	2.48
28	A	1006	974	2.76
29	A	983	952	0.38
30	A	970	939	2.95
31	A	948	918	1.21
32	A	906	877	4.91
33	A	855	828	2.96
34	A	823	797	3.41
35	A	757	733	57.22
36	A	746	723	9.31
37	A	583	564	7.34
38	A	490	475	3.82
39	A	335	325	0.07
40	A	281	272	0.15
41	A	222	215	0.02
42	A	123	120	0.19

Atom	x (Å)	y (Å)	z (Å)
H1	-0.312	2.254	0.105
C2	0.105	1.242	0.103
H3	2.196	1.643	-0.401
C4	1.408	0.926	-0.161
H5	2.198	-0.812	0.909
H6	2.273	-0.989	-0.857
C7	1.658	-0.586	-0.032
H8	0.110	-2.067	0.623
H9	-0.080	-1.474	-1.050
C10	0.201	-1.176	-0.023
H11	-0.886	-0.049	1.540
C12	-0.738	-0.001	0.442
H13	-2.757	0.836	0.099
H14	-2.685	-0.947	0.002
H15	-2.036	0.048	-1.336
C16	-2.138	-0.017	-0.237

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0935	2.6304	2.1885	4.0421	4.2562	3.4582	4.3719	3.9088	3.4704	2.7736	2.3188	2.8266	3.9860	3.1484	2.9338
C2	1.0935		2.1886	1.3666	3.0414	3.2555	2.4027	3.3501	2.9562	2.4240	2.1718	1.5396	2.8901	3.5477	2.8421	2.5943
H3	2.6304	2.1886		1.0928	2.7826	2.6717	2.3223	4.3781	3.9135	3.4745	4.0169	3.4676	5.0433	5.5407	4.6183	4.6441
C4	2.1885	1.3666	1.0928		2.1880	2.2130	1.5375	3.3550	2.9600	2.4277	3.0177	2.4139	4.1735	4.5040	3.7430	3.6697
H5	4.0421	3.0414	2.7826	2.1880		1.7763	1.1080	2.4533	3.0764	2.2334	3.2389	3.0816	5.2836	4.9681	4.8685	4.5545
H6	4.2562	3.2555	2.6717	2.2130	1.7763		1.1048	2.8338	2.4101	2.2408	4.0753	3.4247	5.4347	5.0319	4.4574	4.5588
C7	3.4582	2.4027	2.3223	1.5375	1.1080	1.1048		2.2407	2.2014	1.5721	3.0386	2.5118	4.6398	4.3583	3.9683	3.8439
H8	4.3719	3.3501	4.3781	3.3550	2.4533	2.8338	2.2407		1.7846	1.1040	2.4304	2.2410	4.1128	3.0740	3.5934	3.1614
H9	3.9088	2.9562	3.9135	2.9600	3.0764	2.4101	2.2014	1.7846		1.1052	3.0641	2.1972	3.7170	2.8583	2.4945	2.6490
C10	3.4704	2.4240	3.4745	2.4277	2.2334	2.2408	1.5721	1.1040	1.1052		2.2133	1.5753	3.5795	2.8955	2.8683	2.6196
H11	2.7736	2.1718	4.0169	3.0177	3.2389	4.0753	3.0386	2.4304	3.0641	2.2133		1.1097	2.5218	2.5314	3.0991	2.1744
C12	2.3188	1.5396	3.4676	2.4139	3.0816	3.4247	2.5118	2.2410	2.1972	1.5753	1.1097		2.2115	2.2088	2.2013	1.5557
H13	2.8266	2.8901	5.0433	4.1735	5.2836	5.4347	4.6398	4.1128	3.7170	3.5795	2.5218	2.2115		1.7867	1.7883	1.1056
H14	3.9860	3.5477	5.5407	4.5040	4.9681	5.0319	4.3583	3.0740	2.8583	2.8955	2.5314	2.2088	1.7867		1.7896	1.1055
H15	3.1484	2.8421	4.6183	3.7430	4.8685	4.4574	3.9683	3.5934	2.4945	2.8683	3.0991	2.2013	1.7883	1.7896		1.1053
C16	2.9338	2.5943	4.6441	3.6697	4.5545	4.5588	3.8439	3.1614	2.6490	2.6196	2.1744	1.5557	1.1056	1.1055	1.1053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.279	H1	C2	C12	122.527
C2	C4	H3	125.348	C2	C4	C7	111.519
C2	C12	C10	102.185	C2	C12	H11	109.040
C2	C12	C16	113.885	H3	C4	C7	123.103
C4	C2	C12	112.177	C4	C7	H5	110.550
C4	C7	H6	112.736	C4	C7	C10	102.650
H5	C7	H6	106.783	H5	C7	C10	111.718
H6	C7	C10	112.494	C7	C10	H8	112.538
C7	C10	H9	109.386	C7	C10	C12	105.893
H8	C10	H9	107.771	H8	C10	C12	112.341
H9	C10	C12	108.846	C10	C12	H11	109.822
C10	C12	C16	113.583	H11	C12	C16	108.163
C12	C16	H13	111.276	C12	C16	H14	111.067
C12	C16	H15	110.492	H13	C16	H14	107.811
H13	C16	H15	107.974	H14	C16	H15	108.089

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

using model chemistry: B3LYP/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	H	0.283
2	C	-0.336
3	H	0.286
4	C	-0.297
5	H	0.127
6	H	0.142
7	C	-0.229
8	H	0.146
9	H	0.135
10	C	-0.315
11	H	0.138
12	C	-0.029
13	H	0.148
14	H	0.148
15	H	0.140
16	C	-0.486

	x	y	z	Total
	-0.045	-0.266	0.172	0.320
CHELPG
AIM
ESP

	x	y	z
x	11.244	-0.386	-0.467
y	-0.386	8.735	-0.112
z	-0.467	-0.112	6.829

<r²>	140.352
(<r²>)^1/2	11.847

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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