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	hartrees
Energy at 0K	-233.313682
Energy at 298.15K	-233.324643
Nuclear repulsion energy	235.930179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3148	3089	18.22
2	A	3122	3064	4.62
3	A	3067	3010	15.69
4	A	3063	3006	26.90
5	A	3054	2997	21.10
6	A	3016	2960	25.20
7	A	2981	2925	38.27
8	A	2980	2924	7.86
9	A	2948	2893	31.28
10	A	2911	2856	26.34
11	A	1677	1646	0.66
12	A	1459	1432	6.42
13	A	1457	1430	8.43
14	A	1454	1427	3.41
15	A	1435	1409	2.80
16	A	1369	1343	5.67
17	A	1362	1337	6.37
18	A	1306	1281	0.58
19	A	1296	1272	0.12
20	A	1275	1251	2.52
21	A	1252	1229	1.52
22	A	1199	1176	0.71
23	A	1178	1156	0.18
24	A	1132	1111	0.62
25	A	1091	1071	5.86
26	A	1078	1058	2.65
27	A	1051	1031	3.19
28	A	1002	983	3.21
29	A	956	938	4.28
30	A	940	923	0.06
31	A	927	910	0.61
32	A	913	896	2.48
33	A	860	844	3.23
34	A	818	803	1.11
35	A	746	732	1.72
36	A	716	702	28.27
37	A	569	558	4.76
38	A	489	480	3.80
39	A	340	334	0.02
40	A	279	274	0.25
41	A	237	232	0.06
42	A	129	127	0.19

Atom	x (Å)	y (Å)	z (Å)
H1	-0.304	2.215	0.084
C2	0.098	1.195	0.082
H3	2.175	1.570	-0.387
C4	1.369	0.863	-0.162
H5	2.100	-0.828	0.944
H6	2.226	-1.044	-0.806
C7	1.586	-0.610	-0.016
H8	0.024	-2.073	0.565
H9	-0.117	-1.407	-1.079
C10	0.159	-1.157	-0.035
H11	-0.876	-0.038	1.522
C12	-0.740	-0.001	0.418
H13	-2.724	0.845	0.099
H14	-2.663	-0.935	0.023
H15	-2.015	0.037	-1.326
C16	-2.109	-0.013	-0.226

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0967	2.6044	2.1652	3.9721	4.2209	3.3999	4.3277	3.8088	3.4062	2.7336	2.2835	2.7814	3.9365	3.1084	2.8846
C2	1.0967		2.1624	1.3364	2.9738	3.2139	2.3407	3.3043	2.8566	2.3557	2.1317	1.4985	2.8435	3.4874	2.7903	2.5345
H3	2.6044	2.1624		1.0958	2.7443	2.6481	2.2884	4.3367	3.8201	3.4104	3.9424	3.4084	4.9764	5.4638	4.5596	4.5703
C4	2.1652	1.3364	1.0958		2.1488	2.1874	1.4954	3.3102	2.8633	2.3586	2.9479	2.3522	4.1015	4.4187	3.6728	3.5874
H5	3.9721	2.9738	2.7443	2.1488		1.7675	1.1107	2.4495	3.0560	2.1990	3.1325	3.0045	5.1750	4.8519	4.7786	4.4438
H6	4.2209	3.2139	2.6481	2.1874	1.7675		1.1057	2.7903	2.3866	2.2096	4.0069	3.3741	5.3751	4.9601	4.4080	4.4939
C7	3.3999	2.3407	2.2884	1.4954	1.1107	1.1057		2.2176	2.1596	1.5290	2.9586	2.4432	4.5500	4.2613	3.8862	3.7487
H8	4.3277	3.3043	4.3367	3.3102	2.4495	2.7903	2.2176		1.7795	1.1032	2.4225	2.2136	4.0355	2.9681	3.4915	3.0695
H9	3.8088	2.8566	3.8201	2.8633	3.0560	2.3866	2.1596	1.7795		1.1077	3.0359	2.1457	3.6408	2.8143	2.3981	2.5769
C10	3.4062	2.3557	3.4104	2.3586	2.1990	2.2096	1.5290	1.1032	1.1077		2.1792	1.5329	3.5121	2.8306	2.7961	2.5472
H11	2.7336	2.1317	3.9424	2.9479	3.1325	4.0069	2.9586	2.4225	3.0359	2.1792		1.1137	2.4941	2.4991	3.0687	2.1396
C12	2.2835	1.4985	3.4084	2.3522	3.0045	3.3741	2.4432	2.2136	2.1457	1.5329	1.1137		2.1798	2.1735	2.1603	1.5125
H13	2.7814	2.8435	4.9764	4.1015	5.1750	5.3751	4.5500	4.0355	3.6408	3.5121	2.4941	2.1798		1.7829	1.7848	1.1043
H14	3.9365	3.4874	5.4638	4.4187	4.8519	4.9601	4.2613	2.9681	2.8143	2.8306	2.4991	2.1735	1.7829		1.7850	1.1043
H15	3.1084	2.7903	4.5596	3.6728	4.7786	4.4080	3.8862	3.4915	2.3981	2.7961	3.0687	2.1603	1.7848	1.7850		1.1053
C16	2.8846	2.5345	4.5703	3.5874	4.4438	4.4939	3.7487	3.0695	2.5769	2.5472	2.1396	1.5125	1.1043	1.1043	1.1053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.442	H1	C2	C12	122.495
C2	C4	H3	125.229	C2	C4	C7	111.377
C2	C12	C10	101.986	C2	C12	H11	108.479
C2	C12	C16	114.649	H3	C4	C7	123.313
C4	C2	C12	112.016	C4	C7	H5	110.211
C4	C7	H6	113.637	C4	C7	C10	102.489
H5	C7	H6	105.784	H5	C7	C10	111.854
H6	C7	C10	113.013	C7	C10	H8	113.826
C7	C10	H9	108.930	C7	C10	C12	105.869
H8	C10	H9	107.192	H8	C10	C12	113.213
H9	C10	C12	107.608	C10	C12	H11	109.840
C10	C12	C16	113.524	H11	C12	C16	108.155
C12	C16	H13	111.876	C12	C16	H14	111.362
C12	C16	H15	110.251	H13	C16	H14	107.654
H13	C16	H15	107.755	H14	C16	H15	107.770

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

using model chemistry: LSDA/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	0.140
2	C	-0.104
3	H	0.145
4	C	-0.128
5	H	0.174
6	H	0.169
7	C	-0.374
8	H	0.160
9	H	0.166
10	C	-0.342
11	H	0.162
12	C	-0.142
13	H	0.171
14	H	0.172
15	H	0.173
16	C	-0.542

	x	y	z	Total
	0.007	-0.149	0.139	0.204
CHELPG
AIM
ESP

	x	y	z
x	11.072	-0.355	-0.477
y	-0.355	9.079	-0.137
z	-0.477	-0.137	7.041

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G*

States and conformations

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