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	hartrees
Energy at 0K	-234.504732
Energy at 298.15K	-234.515886
Nuclear repulsion energy	233.951471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3240	3103	30.09
2	A	3210	3074	8.63
3	A	3133	3000	61.51
4	A	3128	2996	17.60
5	A	3125	2993	30.85
6	A	3086	2955	40.06
7	A	3060	2930	24.14
8	A	3044	2915	32.60
9	A	3031	2902	48.76
10	A	2996	2869	33.87
11	A	1703	1631	0.76
12	A	1543	1478	5.54
13	A	1540	1475	7.29
14	A	1539	1474	2.89
15	A	1526	1461	1.92
16	A	1453	1391	4.60
17	A	1407	1348	5.69
18	A	1366	1308	1.98
19	A	1354	1297	0.69
20	A	1340	1283	3.00
21	A	1335	1278	0.78
22	A	1251	1198	0.95
23	A	1227	1175	0.22
24	A	1172	1122	0.67
25	A	1148	1099	4.23
26	A	1133	1085	5.65
27	A	1100	1053	1.95
28	A	1026	983	1.89
29	A	1007	964	0.84
30	A	989	947	1.99
31	A	968	927	0.85
32	A	925	886	3.60
33	A	870	833	1.72
34	A	842	806	2.15
35	A	778	745	1.13
36	A	761	728	38.86
37	A	606	581	6.73
38	A	507	486	3.12
39	A	347	332	0.07
40	A	289	277	0.18
41	A	237	227	0.04
42	A	106	102	0.14

Atom	x (Å)	y (Å)	z (Å)
H1	-0.299	2.220	0.126
C2	0.100	1.210	0.106
H3	2.167	1.585	-0.389
C4	1.371	0.882	-0.160
H5	2.182	-0.849	0.851
H6	2.178	-1.011	-0.902
C7	1.606	-0.609	-0.056
H8	0.082	-2.040	0.688
H9	-0.136	-1.527	-0.989
C10	0.166	-1.185	0.009
H11	-0.926	-0.034	1.521
C12	-0.756	-0.001	0.431
H13	-2.737	0.842	0.051
H14	-2.679	-0.927	-0.020
H15	-2.006	0.036	-1.350
C16	-2.125	-0.012	-0.261

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0862	2.5973	2.1588	4.0119	4.1990	3.4151	4.3141	3.9136	3.4387	2.7242	2.2884	2.8019	3.9491	3.1406	2.9101
C2	1.0862		2.1582	1.3398	3.0211	3.2044	2.3668	3.3018	2.9578	2.3977	2.1451	1.5178	2.8611	3.5080	2.8162	2.5644
H3	2.5973	2.1582		1.0856	2.7315	2.6461	2.2887	4.3185	3.9177	3.4401	3.9793	3.4244	4.9791	5.4708	4.5530	4.5806
C4	2.1588	1.3398	1.0856		2.1622	2.1877	1.5130	3.3051	2.9608	2.3991	2.9906	2.3777	4.1141	4.4387	3.6793	3.6100
H5	4.0119	3.0211	2.7315	2.1622		1.7603	1.1011	2.4201	3.0362	2.2102	3.2819	3.0858	5.2624	4.9391	4.8128	4.5254
H6	4.1990	3.2044	2.6461	2.1877	1.7603		1.0975	2.8253	2.3727	2.2160	4.0572	3.3767	5.3388	4.9378	4.3364	4.4634
C7	3.4151	2.3668	2.2887	1.5130	1.1011	1.0975		2.2193	2.1788	1.5522	3.0377	2.4862	4.5800	4.2970	3.8901	3.7831
H8	4.3141	3.3018	4.3185	3.3051	2.4201	2.8253	2.2193		1.7673	1.0949	2.3946	2.2191	4.0815	3.0599	3.5809	3.1431
H9	3.9136	2.9578	3.9177	2.9608	3.0362	2.3727	2.1788	1.7673		1.0981	3.0258	2.1747	3.6694	2.7875	2.4642	2.6041
C10	3.4387	2.3977	3.4401	2.3991	2.2102	2.2160	1.5522	1.0949	1.0981		2.1912	1.5580	3.5409	2.8571	2.8383	2.5873
H11	2.7242	2.1451	3.9793	2.9906	3.2819	4.0572	3.0377	2.3946	3.0258	2.1912		1.1040	2.4914	2.4989	3.0680	2.1473
C12	2.2884	1.5178	3.4244	2.3777	3.0858	3.3767	2.4862	2.2191	2.1747	1.5580	1.1040		2.1867	2.1820	2.1761	1.5337
H13	2.8019	2.8611	4.9791	4.1141	5.2624	5.3388	4.5800	4.0815	3.6694	3.5409	2.4914	2.1867		1.7716	1.7741	1.0967
H14	3.9491	3.5080	5.4708	4.4387	4.9391	4.9378	4.2970	3.0599	2.7875	2.8571	2.4989	2.1820	1.7716		1.7754	1.0967
H15	3.1406	2.8162	4.5530	3.6793	4.8128	4.3364	3.8901	3.5809	2.4642	2.8383	3.0680	2.1761	1.7741	1.7754		1.0968
C16	2.9101	2.5644	4.5806	3.6100	4.5254	4.4634	3.7831	3.1431	2.6041	2.5873	2.1473	1.5337	1.0967	1.0967	1.0968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.386	H1	C2	C12	122.117
C2	C4	H3	125.374	C2	C4	C7	111.978
C2	C12	C10	102.428	C2	C12	H11	108.781
C2	C12	C16	114.355	H3	C4	C7	122.612
C4	C2	C12	112.471	C4	C7	H5	110.619
C4	C7	H6	112.898	C4	C7	C10	103.011
H5	C7	H6	106.377	H5	C7	C10	111.688
H6	C7	C10	112.370	C7	C10	H8	112.805
C7	C10	H9	109.397	C7	C10	C12	106.140
H8	C10	H9	107.385	H8	C10	C12	112.363
H9	C10	C12	108.680	C10	C12	H11	109.616
C10	C12	C16	113.611	H11	C12	C16	107.879
C12	C16	H13	111.383	C12	C16	H14	111.008
C12	C16	H15	110.532	H13	C16	H14	107.745
H13	C16	H15	107.962	H14	C16	H15	108.076

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

using model chemistry: B3PW91/6-31G

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	0.150
2	C	-0.104
3	H	0.151
4	C	-0.137
5	H	0.167
6	H	0.161
7	C	-0.356
8	H	0.154
9	H	0.163
10	C	-0.317
11	H	0.163
12	C	-0.193
13	H	0.155
14	H	0.157
15	H	0.160
16	C	-0.473

	x	y	z	Total
	-0.014	-0.166	0.109	0.199
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	165.258
(<r²>)^1/2	12.855

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

using model chemistry: B3PW91/6-31G

States and conformations

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