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	hartrees
Energy at 0K	-234.454757
Energy at 298.15K	-234.465703
HF Energy	-234.454757
Nuclear repulsion energy	234.430254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3066	16.82
2	A	3126	3004	20.77
3	A	3115	2994	38.37
4	A	3078	2958	17.26
5	A	3076	2956	55.95
6	A	3065	2946	34.40
7	A	3055	2936	7.30
8	A	3029	2911	39.56
9	A	3015	2898	52.21
10	A	3012	2895	33.92
11	A	1737	1670	3.79
12	A	1502	1443	2.18
13	A	1483	1426	8.92
14	A	1480	1423	1.81
15	A	1476	1418	1.01
16	A	1472	1415	9.17
17	A	1409	1354	3.66
18	A	1368	1315	1.57
19	A	1333	1281	1.92
20	A	1325	1273	1.49
21	A	1285	1235	1.78
22	A	1256	1208	0.95
23	A	1233	1185	1.41
24	A	1180	1134	0.65
25	A	1157	1112	1.47
26	A	1088	1045	0.88
27	A	1053	1012	2.64
28	A	1028	988	7.30
29	A	1022	983	6.20
30	A	950	913	2.07
31	A	928	892	0.93
32	A	906	871	0.28
33	A	885	851	0.49
34	A	839	806	6.18
35	A	809	777	8.69
36	A	656	631	1.60
37	A	583	561	0.09
38	A	447	429	3.98
39	A	318	305	0.66
40	A	244	234	2.41
41	A	182	175	0.67
42	A	137	131	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.743	-0.041	-0.034
H2	0.355	-2.118	-0.228
C3	-0.031	-1.131	-0.104
H4	2.618	-0.621	0.827
H5	2.626	0.981	0.103
H6	2.653	-0.447	-0.926
C7	2.234	-0.030	-0.008
H8	0.023	1.558	1.157
H9	0.190	1.977	-0.564
C10	-0.085	1.180	0.131
H11	-1.612	0.728	-1.273
H12	-2.320	1.268	0.253
C13	-1.513	0.679	-0.186
H14	-1.663	-0.960	1.237
H15	-2.177	-1.416	-0.401
C16	-1.463	-0.816	0.169

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1220	1.3386	2.1429	2.1474	2.1466	1.4917	2.1192	2.1586	1.4848	2.7700	3.3431	2.3728	2.8713	3.2483	2.3471
H2	2.1220		1.0672	2.9111	3.8568	2.9258	2.8175	3.9421	4.1121	3.3470	3.6139	4.3420	3.3637	2.7492	2.6331	2.2716
C3	1.3386	1.0672		2.8535	3.4009	2.8891	2.5203	2.9701	3.1495	2.3238	2.7058	3.3349	2.3407	2.1186	2.1851	1.4917
H4	2.1429	2.9111	2.8535		1.7578	1.7615	1.0922	3.4042	3.8185	3.3220	4.9112	5.3178	4.4473	4.3132	5.0129	4.1384
H5	2.1474	3.8568	3.4009	1.7578		1.7603	1.0907	2.8667	2.7159	2.7192	4.4636	4.9569	4.1603	4.8421	5.3920	4.4675
H6	2.1466	2.9258	2.8891	1.7615	1.7603		1.0910	3.9076	3.4744	3.3558	4.4373	5.3905	4.3779	4.8540	4.9540	4.2752
C7	1.4917	2.8175	2.5203	1.0922	1.0907	1.0910		2.9612	2.9189	2.6204	4.1194	4.7429	3.8179	4.1951	4.6405	3.7843
H8	2.1192	3.9421	2.9701	3.4042	2.8667	3.9076	2.9612		1.7790	1.0980	3.0440	2.5279	2.2216	3.0309	4.0140	2.9697
H9	2.1586	4.1121	3.1495	3.8185	2.7159	3.4744	2.9189	1.7790		1.0927	2.3039	2.7327	2.1736	3.9113	4.1400	3.3269
C10	1.4848	3.3470	2.3238	3.3220	2.7192	3.3558	2.6204	1.0980	1.0927		2.1230	2.2396	1.5458	2.8791	3.3764	2.4257
H11	2.7700	3.6139	2.7058	4.9112	4.4636	4.4373	4.1194	3.0440	2.3039	2.1230		1.7668	1.0919	3.0247	2.3824	2.1174
H12	3.3431	4.3420	3.3349	5.3178	4.9569	5.3905	4.7429	2.5279	2.7327	2.2396	1.7668		1.0916	2.5225	2.7666	2.2546
C13	2.3728	3.3637	2.3407	4.4473	4.1603	4.3779	3.8179	2.2216	2.1736	1.5458	1.0919	1.0916		2.1758	2.2085	1.5373
H14	2.8713	2.7492	2.1186	4.3132	4.8421	4.8540	4.1951	3.0309	3.9113	2.8791	3.0247	2.5225	2.1758		1.7764	1.0958
H15	3.2483	2.6331	2.1851	5.0129	5.3920	4.9540	4.6405	4.0140	4.1400	3.3764	2.3824	2.7666	2.2085	1.7764		1.0930
C16	2.3471	2.2716	1.4917	4.1384	4.4675	4.2752	3.7843	2.9697	3.3269	2.4257	2.1174	2.2546	1.5373	1.0958	1.0930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	123.379	C1	C3	C16	111.930
C1	C7	H4	111.119	C1	C7	H5	111.573
C1	C7	H6	111.497	C1	C10	H8	109.356
C1	C10	H9	112.863	C1	C10	C13	103.038
H2	C3	C16	124.335	C3	C1	C7	125.780
C3	C1	C10	110.673	C3	C16	C13	101.191
C3	C16	H14	108.959	C3	C16	H15	114.546
H4	C7	H5	107.276	H4	C7	H6	107.580
H5	C7	H6	107.582	C7	C1	C10	123.370
H8	C10	H9	108.596	H8	C10	C13	113.252
H9	C10	C13	109.739	C10	C13	H11	105.910
C10	C13	H12	115.152	C10	C13	C16	103.769
H11	C13	H12	108.021	H11	C13	C16	106.040
H12	C13	C16	117.082	C13	C16	H14	110.322
C13	C16	H15	113.120	H14	C16	H15	108.500

All results from a given calculation for C₆H₁₀ (Cyclopentene, 1-methyl-)

using model chemistry: HSEh1PBE/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	C	0.037
2	H	0.107
3	C	-0.202
4	H	0.094
5	H	0.097
6	H	0.096
7	C	-0.276
8	H	0.083
9	H	0.082
10	C	-0.154
11	H	0.088
12	H	0.087
13	C	-0.172
14	H	0.084
15	H	0.085
16	C	-0.136

	x	y	z	Total
	0.145	0.208	0.066	0.262
CHELPG
AIM
ESP

	x	y	z
x	11.859	0.822	-0.051
y	0.822	10.726	0.084
z	-0.051	0.084	7.826

<r²>	169.011
(<r²>)^1/2	13.000

All results from a given calculation for C6H10 (Cyclopentene, 1-methyl-)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 1-methyl-)