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	hartrees
Energy at 0K	-234.648152
Energy at 298.15K	-234.659261
HF Energy	-234.648152
Nuclear repulsion energy	235.692302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3225	3083	21.83
2	A	3198	3057	7.87
3	A	3124	2987	47.35
4	A	3120	2983	32.85
5	A	3115	2978	24.15
6	A	3097	2960	34.13
7	A	3060	2925	29.23
8	A	3043	2909	13.01
9	A	3041	2907	58.01
10	A	3015	2882	27.16
11	A	1710	1635	1.86
12	A	1508	1442	4.09
13	A	1503	1437	4.43
14	A	1500	1434	5.35
15	A	1482	1416	2.16
16	A	1421	1359	3.40
17	A	1404	1342	7.15
18	A	1360	1300	0.45
19	A	1337	1278	0.38
20	A	1327	1269	2.08
21	A	1305	1248	1.61
22	A	1237	1182	0.82
23	A	1216	1163	0.41
24	A	1155	1104	0.81
25	A	1130	1080	4.31
26	A	1117	1068	5.10
27	A	1079	1032	2.32
28	A	1010	966	1.98
29	A	992	948	0.23
30	A	975	932	1.77
31	A	957	915	1.05
32	A	921	880	4.27
33	A	864	826	2.27
34	A	833	796	1.23
35	A	768	734	0.66
36	A	739	707	35.91
37	A	588	562	4.66
38	A	503	481	2.96
39	A	346	330	0.03
40	A	286	274	0.10
41	A	229	219	0.03
42	A	101	96	0.07

Atom	x (Å)	y (Å)	z (Å)
H1	-0.291	2.205	0.103
C2	0.103	1.198	0.095
H3	2.148	1.580	-0.390
C4	1.362	0.875	-0.159
H5	2.131	-0.830	0.890
H6	2.194	-1.015	-0.851
C7	1.593	-0.607	-0.037
H8	0.058	-2.052	0.622
H9	-0.119	-1.469	-1.028
C10	0.163	-1.174	-0.015
H11	-0.893	-0.042	1.509
C12	-0.744	-0.006	0.423
H13	-2.722	0.835	0.091
H14	-2.661	-0.925	-0.010
H15	-2.012	0.058	-1.327
C16	-2.116	-0.009	-0.242

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0820	2.5662	2.1379	3.9621	4.1780	3.3885	4.3025	3.8482	3.4116	2.7185	2.2796	2.7902	3.9280	3.1010	2.8899
C2	1.0820		2.1366	1.3241	2.9758	3.1879	2.3445	3.2918	2.9019	2.3748	2.1278	1.5077	2.8477	3.4868	2.7915	2.5480
H3	2.5662	2.1366		1.0812	2.7288	2.6361	2.2839	4.3103	3.8523	3.4155	3.9352	3.3972	4.9500	5.4361	4.5276	4.5528
C4	2.1379	1.3241	1.0812		2.1447	2.1779	1.5052	3.2974	2.9050	2.3781	2.9508	2.3556	4.0911	4.4098	3.6619	3.5889
H5	3.9621	2.9758	2.7288	2.1447		1.7525	1.0943	2.4207	3.0248	2.1934	3.1851	3.0268	5.1919	4.8770	4.7815	4.4709
H6	4.1780	3.1879	2.6361	2.1779	1.7525		1.0909	2.7935	2.3628	2.2018	4.0052	3.3574	5.3356	4.9281	4.3659	4.4668
C7	3.3885	2.3445	2.2839	1.5052	1.0943	1.0909		2.2082	2.1580	1.5389	2.9814	2.4570	4.5514	4.2668	3.8863	3.7626
H8	4.3025	3.2918	4.3103	3.2974	2.4207	2.7935	2.2082		1.7589	1.0894	2.3932	2.2063	4.0423	3.0108	3.5398	3.1054
H9	3.8482	2.9019	3.8523	2.9050	3.0248	2.3628	2.1580	1.7589		1.0922	3.0118	2.1537	3.6516	2.7925	2.4501	2.5955
C10	3.4116	2.3748	3.4155	2.3781	2.1934	2.2018	1.5389	1.0894	1.0922		2.1718	1.5423	3.5165	2.8352	2.8224	2.5690
H11	2.7185	2.1278	3.9352	2.9508	3.1851	4.0052	2.9814	2.3932	3.0118	2.1718		1.0964	2.4748	2.4928	3.0500	2.1361
C12	2.2796	1.5077	3.3972	2.3556	3.0268	3.3574	2.4570	2.2063	2.1537	1.5423	1.0964		2.1744	2.1700	2.1618	1.5246
H13	2.7902	2.8477	4.9500	4.0911	5.1919	5.3356	4.5514	4.0423	3.6516	3.5165	2.4748	2.1744		1.7637	1.7656	1.0911
H14	3.9280	3.4868	5.4361	4.4098	4.8770	4.9281	4.2668	3.0108	2.7925	2.8352	2.4928	2.1700	1.7637		1.7667	1.0910
H15	3.1010	2.7915	4.5276	3.6619	4.7815	4.3659	3.8863	3.5398	2.4501	2.8224	3.0500	2.1618	1.7656	1.7667		1.0915
C16	2.8899	2.5480	4.5528	3.5889	4.4709	4.4668	3.7626	3.1054	2.5955	2.5690	2.1361	1.5246	1.0911	1.0910	1.0915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.070	H1	C2	C12	122.490
C2	C4	H3	125.017	C2	C4	C7	111.758
C2	C12	C10	102.262	C2	C12	H11	108.560
C2	C12	C16	114.342	H3	C4	C7	123.184
C4	C2	C12	112.416	C4	C7	H5	110.184
C4	C7	H6	113.082	C4	C7	C10	102.740
H5	C7	H6	106.640	H5	C7	C10	111.697
H6	C7	C10	112.590	C7	C10	H8	113.209
C7	C10	H9	109.025	C7	C10	C12	105.767
H8	C10	H9	107.464	H8	C10	C12	112.800
H9	C10	C12	108.459	C10	C12	H11	109.627
C10	C12	C16	113.783	H11	C12	C16	108.064
C12	C16	H13	111.388	C12	C16	H14	111.039
C12	C16	H15	110.355	H13	C16	H14	107.849
H13	C16	H15	107.989	H14	C16	H15	108.091

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

using model chemistry: wB97X-D/cc-pVTZ

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	0.123
2	C	-0.183
3	H	0.123
4	C	-0.162
5	H	0.086
6	H	0.087
7	C	-0.132
8	H	0.090
9	H	0.087
10	C	-0.178
11	H	0.095
12	C	-0.017
13	H	0.093
14	H	0.095
15	H	0.088
16	C	-0.294

	x	y	z	Total
	-0.006	-0.182	0.158	0.241
CHELPG
AIM
ESP

	x	y	z
x	11.966	-0.332	-0.366
y	-0.332	9.827	-0.047
z	-0.366	-0.047	8.010

<r²>	163.529
(<r²>)^1/2	12.788

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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