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	hartrees
Energy at 0K	-234.562508
Energy at 298.15K	-234.573419
Nuclear repulsion energy	232.693917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3106	3094	32.31
2	A	3081	3069	11.50
3	A	3009	2998	71.13
4	A	3004	2992	8.91
5	A	3003	2991	45.61
6	A	2968	2956	53.71
7	A	2952	2941	30.28
8	A	2945	2933	27.35
9	A	2918	2906	47.62
10	A	2884	2873	35.98
11	A	1614	1608	1.46
12	A	1467	1462	4.97
13	A	1464	1458	5.31
14	A	1463	1458	1.47
15	A	1449	1443	1.08
16	A	1375	1370	1.96
17	A	1337	1332	4.34
18	A	1301	1296	2.38
19	A	1282	1277	0.70
20	A	1272	1267	2.57
21	A	1264	1259	0.81
22	A	1191	1187	0.92
23	A	1161	1156	0.56
24	A	1109	1104	0.53
25	A	1085	1081	3.51
26	A	1070	1066	5.50
27	A	1030	1026	1.06
28	A	963	959	0.93
29	A	944	940	1.38
30	A	929	925	1.54
31	A	913	909	0.75
32	A	874	870	3.46
33	A	823	820	1.40
34	A	795	792	1.53
35	A	738	736	0.34
36	A	714	711	32.87
37	A	574	572	5.11
38	A	483	481	2.15
39	A	333	332	0.04
40	A	280	279	0.12
41	A	231	230	0.02
42	A	106	106	0.09

Atom	x (Å)	y (Å)	z (Å)
H1	-0.293	2.230	0.125
C2	0.103	1.213	0.103
H3	2.174	1.599	-0.386
C4	1.377	0.888	-0.161
H5	2.189	-0.844	0.864
H6	2.205	-1.014	-0.893
C7	1.618	-0.610	-0.053
H8	0.082	-2.056	0.679
H9	-0.126	-1.534	-1.001
C10	0.169	-1.194	0.004
H11	-0.925	-0.034	1.522
C12	-0.759	-0.003	0.427
H13	-2.754	0.847	0.064
H14	-2.702	-0.927	-0.009
H15	-2.039	0.038	-1.351
C16	-2.144	-0.011	-0.256

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0916	2.5975	2.1623	4.0201	4.2192	3.4281	4.3379	3.9324	3.4572	2.7344	2.3011	2.8235	3.9736	3.1674	2.9316
C2	1.0916		2.1623	1.3415	3.0275	3.2201	2.3757	3.3196	2.9694	2.4100	2.1511	1.5256	2.8807	3.5303	2.8432	2.5841
H3	2.5975	2.1623		1.0910	2.7442	2.6618	2.3022	4.3434	3.9343	3.4594	3.9886	3.4389	5.0052	5.5042	4.5954	4.6100
C4	2.1623	1.3415	1.0910		2.1701	2.1994	1.5211	3.3240	2.9715	2.4123	2.9972	2.3879	4.1378	4.4676	3.7165	3.6356
H5	4.0201	3.0275	2.7442	2.1701		1.7649	1.1052	2.4376	3.0517	2.2228	3.2845	3.0964	5.2853	4.9691	4.8543	4.5524
H6	4.2192	3.2201	2.6618	2.1994	1.7649		1.1015	2.8393	2.3900	2.2311	4.0724	3.3978	5.3822	4.9862	4.3963	4.5078
C7	3.4281	2.3757	2.3022	1.5211	1.1052	1.1015		2.2324	2.1891	1.5624	3.0457	2.4991	4.6097	4.3315	3.9344	3.8145
H8	4.3379	3.3196	4.3434	3.3240	2.4376	2.8393	2.2324		1.7719	1.0986	2.4104	2.2324	4.1044	3.0818	3.6063	3.1638
H9	3.9324	2.9694	3.9343	2.9715	3.0517	2.3900	2.1891	1.7719		1.1013	3.0417	2.1872	3.7028	2.8264	2.5009	2.6355
C10	3.4572	2.4100	3.4594	2.4123	2.2228	2.2311	1.5624	1.0986	1.1013		2.2014	1.5679	3.5658	2.8838	2.8690	2.6111
H11	2.7344	2.1511	3.9886	2.9972	3.2845	4.0724	3.0457	2.4104	3.0417	2.2014		1.1074	2.4990	2.5096	3.0820	2.1557
C12	2.3011	1.5256	3.4389	2.3879	3.0964	3.3978	2.4991	2.2324	2.1872	1.5679	1.1074		2.1991	2.1958	2.1918	1.5448
H13	2.8235	2.8807	5.0052	4.1378	5.2853	5.3822	4.6097	4.1044	3.7028	3.5658	2.4990	2.1991		1.7766	1.7800	1.1007
H14	3.9736	3.5303	5.5042	4.4676	4.9691	4.9862	4.3315	3.0818	2.8264	2.8838	2.5096	2.1958	1.7766		1.7810	1.1008
H15	3.1674	2.8432	4.5954	3.7165	4.8543	4.3963	3.9344	3.6063	2.5009	2.8690	3.0820	2.1918	1.7800	1.7810		1.1008
C16	2.9316	2.5841	4.6100	3.6356	4.5524	4.5078	3.8145	3.1638	2.6355	2.6111	2.1557	1.5448	1.1007	1.1008	1.1008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.104	H1	C2	C12	122.228
C2	C4	H3	125.161	C2	C4	C7	112.028
C2	C12	C10	102.345	C2	C12	H11	108.521
C2	C12	C16	114.618	H3	C4	C7	122.762
C4	C2	C12	112.633	C4	C7	H5	110.440
C4	C7	H6	113.019	C4	C7	C10	102.943
H5	C7	H6	106.220	H5	C7	C10	111.728
H6	C7	C10	112.617	C7	C10	H8	112.899
C7	C10	H9	109.316	C7	C10	C12	105.952
H8	C10	H9	107.306	H8	C10	C12	112.500
H9	C10	C12	108.797	C10	C12	H11	109.544
C10	C12	C16	114.034	H11	C12	C16	107.590
C12	C16	H13	111.347	C12	C16	H14	111.081
C12	C16	H15	110.762	H13	C16	H14	107.608
H13	C16	H15	107.905	H14	C16	H15	107.989

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

using model chemistry: BLYP/6-311G**

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	0.078
2	C	-0.068
3	H	0.081
4	C	-0.113
5	H	0.109
6	H	0.108
7	C	-0.188
8	H	0.103
9	H	0.106
10	C	-0.190
11	H	0.113
12	C	-0.173
13	H	0.098
14	H	0.100
15	H	0.099
16	C	-0.264

	x	y	z	Total
	0.020	-0.140	0.139	0.198
CHELPG
AIM
ESP

	x	y	z
x	12.204	-0.340	-0.435
y	-0.340	9.954	-0.075
z	-0.435	-0.075	7.841

<r²>	167.864
(<r²>)^1/2	12.956

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

using model chemistry: BLYP/6-311G**

States and conformations

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