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	hartrees
Energy at 0K	-234.568918
Energy at 298.15K	-234.580001
HF Energy	-234.568918
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3248	3081	27.51
2	A	3222	3056	9.00
3	A	3143	2981	60.52
4	A	3142	2980	26.00
5	A	3137	2976	21.40
6	A	3112	2952	36.52
7	A	3078	2919	27.10
8	A	3061	2903	25.19
9	A	3055	2898	50.05
10	A	3028	2872	32.36
11	A	1732	1642	0.97
12	A	1538	1459	3.29
13	A	1534	1455	3.27
14	A	1531	1452	4.53
15	A	1512	1435	1.36
16	A	1447	1373	3.37
17	A	1421	1348	5.43
18	A	1373	1302	0.56
19	A	1356	1286	0.29
20	A	1345	1276	2.99
21	A	1318	1250	1.55
22	A	1250	1186	0.72
23	A	1228	1165	0.31
24	A	1165	1105	0.61
25	A	1140	1081	3.70
26	A	1127	1069	4.33
27	A	1089	1033	2.00
28	A	1020	967	1.77
29	A	994	943	0.77
30	A	976	926	1.19
31	A	965	915	0.66
32	A	928	880	3.36
33	A	868	824	1.75
34	A	840	797	1.44
35	A	766	727	0.90
36	A	743	704	30.97
37	A	589	559	4.65
38	A	503	477	2.74
39	A	347	329	0.03
40	A	285	270	0.12
41	A	235	223	0.05
42	A	105	100	0.09

Atom	x (Å)	y (Å)	z (Å)
H1	-0.296	2.214	0.103
C2	0.102	1.203	0.096
H3	2.159	1.584	-0.392
C4	1.367	0.878	-0.160
H5	2.139	-0.834	0.894
H6	2.202	-1.021	-0.854
C7	1.599	-0.609	-0.037
H8	0.058	-2.059	0.625
H9	-0.118	-1.475	-1.032
C10	0.164	-1.177	-0.015
H11	-0.898	-0.043	1.516
C12	-0.747	-0.005	0.425
H13	-2.733	0.836	0.091
H14	-2.670	-0.931	-0.011
H15	-2.019	0.058	-1.333
C16	-2.123	-0.010	-0.244

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0867	2.5820	2.1492	3.9808	4.1974	3.4031	4.3189	3.8632	3.4239	2.7301	2.2875	2.8003	3.9423	3.1113	2.8994
C2	1.0867		2.1479	1.3309	2.9895	3.2026	2.3543	3.3043	2.9135	2.3830	2.1373	1.5129	2.8591	3.4998	2.8021	2.5568
H3	2.5820	2.1479		1.0858	2.7391	2.6458	2.2910	4.3258	3.8662	3.4270	3.9534	3.4114	4.9727	5.4579	4.5467	4.5713
C4	2.1492	1.3309	1.0858		2.1540	2.1873	1.5102	3.3094	2.9155	2.3857	2.9642	2.3648	4.1084	4.4264	3.6765	3.6022
H5	3.9808	2.9895	2.7391	2.1540		1.7597	1.0992	2.4291	3.0358	2.2013	3.1991	3.0392	5.2130	4.8945	4.8009	4.4874
H6	4.1974	3.2026	2.6458	2.1873	1.7597		1.0961	2.8033	2.3706	2.2097	4.0226	3.3712	5.3571	4.9452	4.3832	4.4830
C7	3.4031	2.3543	2.2910	1.5102	1.0992	1.0961		2.2165	2.1657	1.5440	2.9943	2.4666	4.5692	4.2817	3.9015	3.7758
H8	4.3189	3.3043	4.3258	3.3094	2.4291	2.8033	2.2165		1.7657	1.0943	2.4023	2.2147	4.0567	3.0200	3.5535	3.1156
H9	3.8632	2.9135	3.8662	2.9155	3.0358	2.3706	2.1657	1.7657		1.0969	3.0248	2.1631	3.6661	2.8020	2.4604	2.6048
C10	3.4239	2.3830	3.4270	2.3857	2.2013	2.2097	1.5440	1.0943	1.0969		2.1806	1.5479	3.5293	2.8445	2.8333	2.5771
H11	2.7301	2.1373	3.9534	2.9642	3.1991	4.0226	2.9943	2.4023	3.0248	2.1806		1.1014	2.4842	2.5021	3.0628	2.1439
C12	2.2875	1.5129	3.4114	2.3648	3.0392	3.3712	2.4666	2.2147	2.1631	1.5479	1.1014		2.1828	2.1785	2.1710	1.5298
H13	2.8003	2.8591	4.9727	4.1084	5.2130	5.3571	4.5692	4.0567	3.6661	3.5293	2.4842	2.1828		1.7709	1.7726	1.0959
H14	3.9423	3.4998	5.4579	4.4264	4.8945	4.9452	4.2817	3.0200	2.8020	2.8445	2.5021	2.1785	1.7709		1.7740	1.0958
H15	3.1113	2.8021	4.5467	3.6765	4.8009	4.3832	3.9015	3.5535	2.4604	2.8333	3.0628	2.1710	1.7726	1.7740		1.0961
C16	2.8994	2.5568	4.5713	3.6022	4.4874	4.4830	3.7758	3.1156	2.6048	2.5771	2.1439	1.5298	1.0959	1.0958	1.0961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.187	H1	C2	C12	122.426
C2	C4	H3	125.137	C2	C4	C7	111.765
C2	C12	C10	102.251	C2	C12	H11	108.661
C2	C12	C16	114.345	H3	C4	C7	123.056
C4	C2	C12	112.365	C4	C7	H5	110.282
C4	C7	H6	113.163	C4	C7	C10	102.720
H5	C7	H6	106.565	H5	C7	C10	111.669
H6	C7	C10	112.541	C7	C10	H8	113.201
C7	C10	H9	109.006	C7	C10	C12	105.827
H8	C10	H9	107.380	H8	C10	C12	112.775
H9	C10	C12	108.539	C10	C12	H11	109.637
C10	C12	C16	113.720	H11	C12	C16	108.033
C12	C16	H13	111.402	C12	C16	H14	111.055
C12	C16	H15	110.449	H13	C16	H14	107.804
H13	C16	H15	107.933	H14	C16	H15	108.062

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

using model chemistry: wB97X-D/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	0.154
2	C	-0.131
3	H	0.157
4	C	-0.152
5	H	0.166
6	H	0.163
7	C	-0.347
8	H	0.158
9	H	0.160
10	C	-0.324
11	H	0.157
12	C	-0.147
13	H	0.160
14	H	0.162
15	H	0.163
16	C	-0.500

	x	y	z	Total
	0.005	-0.122	0.112	0.166
CHELPG
AIM
ESP

	x	y	z
x	10.722	-0.373	-0.519
y	-0.373	8.736	-0.099
z	-0.519	-0.099	6.851

<r²>	164.087
(<r²>)^1/2	12.810

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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