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	hartrees
Energy at 0K	-233.094642
Energy at 298.15K	-233.106108
HF Energy	-233.094642
Nuclear repulsion energy	235.956108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3337	3018	24.82
2	A	3308	2993	11.71
3	A	3215	2908	95.90
4	A	3206	2900	17.37
5	A	3204	2898	54.21
6	A	3188	2884	54.14
7	A	3165	2863	30.83
8	A	3147	2847	27.56
9	A	3143	2843	58.21
10	A	3113	2816	33.27
11	A	1814	1641	3.52
12	A	1627	1472	1.30
13	A	1614	1460	4.18
14	A	1612	1459	4.43
15	A	1606	1453	0.76
16	A	1533	1387	2.44
17	A	1517	1372	7.80
18	A	1465	1325	0.51
19	A	1456	1317	0.84
20	A	1432	1295	4.92
21	A	1418	1283	0.97
22	A	1340	1212	0.81
23	A	1305	1180	0.78
24	A	1234	1116	1.35
25	A	1214	1098	3.47
26	A	1200	1086	9.75
27	A	1143	1034	1.84
28	A	1092	988	0.28
29	A	1067	965	1.11
30	A	1042	942	1.59
31	A	1007	911	0.95
32	A	965	873	3.72
33	A	916	829	2.86
34	A	883	798	1.72
35	A	815	737	38.87
36	A	810	733	4.63
37	A	629	569	4.48
38	A	534	483	1.87
39	A	366	331	0.06
40	A	308	279	0.07
41	A	258	233	0.04
42	A	123	111	0.09

Atom	x (Å)	y (Å)	z (Å)
H1	-0.279	2.200	0.104
C2	0.108	1.198	0.093
H3	2.142	1.578	-0.378
C4	1.359	0.877	-0.156
H5	2.142	-0.835	0.871
H6	2.182	-1.007	-0.861
C7	1.596	-0.608	-0.041
H8	0.066	-2.039	0.636
H9	-0.116	-1.488	-1.010
C10	0.164	-1.176	-0.010
H11	-0.898	-0.037	1.499
C12	-0.746	-0.006	0.421
H13	-2.717	0.834	0.088
H14	-2.664	-0.915	-0.002
H15	-2.027	0.051	-1.323
C16	-2.119	-0.009	-0.243

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0746	2.5457	2.1220	3.9573	4.1561	3.3800	4.2866	3.8566	3.4073	2.7081	2.2770	2.7944	3.9246	3.1161	2.8955
C2	1.0746		2.1222	1.3157	2.9788	3.1738	2.3440	3.2823	2.9125	2.3768	2.1242	1.5114	2.8476	3.4862	2.8064	2.5545
H3	2.5457	2.1222		1.0738	2.7167	2.6295	2.2780	4.2915	3.8598	3.4102	3.9205	3.3887	4.9369	5.4265	4.5385	4.5481
C4	2.1220	1.3157	1.0738		2.1440	2.1731	1.5081	3.2865	2.9155	2.3799	2.9442	2.3542	4.0831	4.4065	3.6751	3.5898
H5	3.9573	2.9788	2.7167	2.1440		1.7414	1.0870	2.4110	3.0109	2.1919	3.2047	3.0375	5.1960	4.8849	4.7928	4.4806
H6	4.1561	3.1738	2.6295	2.1731	1.7414		1.0839	2.7897	2.3527	2.1964	3.9995	3.3491	5.3180	4.9218	4.3636	4.4578
C7	3.3800	2.3440	2.2780	1.5081	1.0870	1.0839		2.2012	2.1553	1.5406	2.9862	2.4616	4.5488	4.2708	3.8985	3.7681
H8	4.2866	3.2823	4.2915	3.2865	2.4110	2.7897	2.2012		1.7456	1.0826	2.3839	2.2000	4.0370	3.0208	3.5473	3.1098
H9	3.8566	2.9125	3.8598	2.9155	3.0109	2.3527	2.1553	1.7456		1.0845	3.0021	2.1547	3.6549	2.7988	2.4728	2.6051
C10	3.4073	2.3768	3.4102	2.3799	2.1919	2.1964	1.5406	1.0826	1.0845		2.1686	1.5438	3.5137	2.8398	2.8330	2.5746
H11	2.7081	2.1242	3.9205	2.9442	3.2047	3.9995	2.9862	2.3839	3.0021	2.1686		1.0889	2.4608	2.4784	3.0400	2.1275
C12	2.2770	1.5114	3.3887	2.3542	3.0375	3.3491	2.4616	2.2000	2.1547	1.5438	1.0889		2.1678	2.1645	2.1643	1.5254
H13	2.7944	2.8476	4.9369	4.0831	5.1960	5.3180	4.5488	4.0370	3.6549	3.5137	2.4608	2.1678		1.7517	1.7546	1.0847
H14	3.9246	3.4862	5.4265	4.4065	4.8849	4.9218	4.2708	3.0208	2.7988	2.8398	2.4784	2.1645	1.7517		1.7553	1.0847
H15	3.1161	2.8064	4.5385	3.6751	4.7928	4.3636	3.8985	3.5473	2.4728	2.8330	3.0400	2.1643	1.7546	1.7553		1.0847
C16	2.8955	2.5545	4.5481	3.5898	4.4806	4.4578	3.7681	3.1098	2.6051	2.5746	2.1275	1.5254	1.0847	1.0847	1.0847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.881	H1	C2	C12	122.509
C2	C4	H3	124.972	C2	C4	C7	112.031
C2	C12	C10	102.141	C2	C12	H11	108.454
C2	C12	C16	114.533	H3	C4	C7	122.956
C4	C2	C12	112.573	C4	C7	H5	110.362
C4	C7	H6	112.915	C4	C7	C10	102.627
H5	C7	H6	106.677	H5	C7	C10	111.903
H6	C7	C10	112.456	C7	C10	H8	112.935
C7	C10	H9	109.138	C7	C10	C12	105.892
H8	C10	H9	107.321	H8	C10	C12	112.605
H9	C10	C12	108.873	C10	C12	H11	109.707
C10	C12	C16	114.035	H11	C12	C16	107.771
C12	C16	H13	111.192	C12	C16	H14	110.922
C12	C16	H15	110.908	H13	C16	H14	107.702
H13	C16	H15	107.960	H14	C16	H15	108.015

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

using model chemistry: HF/daug-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	0.658
2	C	-0.636
3	H	0.520
4	C	-0.639
5	H	0.340
6	H	0.244
7	C	-0.877
8	H	0.364
9	H	0.371
10	C	-0.861
11	H	0.244
12	C	0.609
13	H	0.274
14	H	0.321
15	H	0.485
16	C	-1.416

	x	y	z	Total
	-0.010	-0.198	0.168	0.260
CHELPG
AIM
ESP

	x	y	z
x	11.901	-0.315	-0.297
y	-0.315	9.719	-0.012
z	-0.297	-0.012	8.295

<r²>	163.825
(<r²>)^1/2	12.799

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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