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	hartrees
Energy at 0K	-233.098786
Energy at 298.15K	-233.109953
HF Energy	-233.098786
Nuclear repulsion energy	234.298227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3248	3129	17.51
2	A	3218	3100	4.05
3	A	3154	3039	31.63
4	A	3140	3025	18.05
5	A	3133	3018	23.14
6	A	3115	3001	23.38
7	A	3087	2974	16.30
8	A	3060	2948	11.67
9	A	3059	2947	41.45
10	A	3043	2931	17.88
11	A	1697	1634	0.18
12	A	1562	1505	7.88
13	A	1559	1502	5.89
14	A	1545	1488	4.46
15	A	1529	1473	3.17
16	A	1457	1404	7.79
17	A	1400	1348	7.65
18	A	1364	1314	0.98
19	A	1353	1303	0.12
20	A	1343	1294	5.62
21	A	1334	1285	1.50
22	A	1258	1212	1.20
23	A	1235	1190	0.67
24	A	1173	1130	0.59
25	A	1149	1107	5.09
26	A	1132	1091	6.46
27	A	1087	1047	1.98
28	A	1017	980	1.12
29	A	1002	965	0.42
30	A	987	951	3.37
31	A	957	922	0.69
32	A	914	881	3.60
33	A	867	835	2.35
34	A	840	809	2.44
35	A	781	753	0.99
36	A	755	728	44.93
37	A	603	581	7.28
38	A	504	485	4.18
39	A	350	337	0.12
40	A	287	277	0.23
41	A	243	234	0.08
42	A	107	103	0.14

Atom	x (Å)	y (Å)	z (Å)
H1	-0.273	2.170	-0.117
C2	0.110	1.186	0.006
H3	2.184	1.514	-0.405
C4	1.402	0.842	-0.146
H5	1.779	-0.779	1.188
H6	2.344	-1.114	-0.490
C7	1.581	-0.622	0.119
H8	-0.084	-2.151	0.127
H9	0.037	-1.071	-1.297
C10	0.152	-1.136	-0.210
H11	-0.694	-0.102	1.491
C12	-0.713	-0.006	0.395
H13	-2.720	0.835	0.297
H14	-2.662	-0.936	0.158
H15	-2.154	0.081	-1.212
C16	-2.158	-0.006	-0.121

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0631	2.5602	2.1377	3.8229	4.2162	3.3601	4.3324	3.4629	3.3351	2.8154	2.2780	2.8179	3.9281	3.0171	2.8787
C2	1.0631		2.1396	1.3449	2.8364	3.2447	2.3336	3.3454	2.6074	2.3332	2.1241	1.4998	2.8669	3.4948	2.7993	2.5658
H3	2.5602	2.1396		1.0634	2.8208	2.6338	2.2805	4.3424	3.4767	3.3452	3.8063	3.3676	5.0007	5.4594	4.6401	4.6094
C4	2.1377	1.3449	1.0634		2.1331	2.1985	1.4989	3.3526	2.6166	2.3408	2.8216	2.3412	4.1453	4.4459	3.7896	3.6594
H5	3.8229	2.8364	2.8208	2.1331		1.8021	1.0987	2.5457	3.0493	2.1747	2.5818	2.7271	4.8622	4.5619	4.6877	4.2209
H6	4.2162	3.2447	2.6338	2.1985	1.8021		1.0935	2.7110	2.4448	2.2098	3.7654	3.3698	5.4831	5.0509	4.7102	4.6513
C7	3.3601	2.3336	2.2805	1.4989	1.0987	1.0935		2.2599	2.1424	1.5532	2.7067	2.3907	4.5443	4.2543	4.0269	3.7968
H8	4.3324	3.3454	4.3424	3.3526	2.5457	2.7110	2.2599		1.7912	1.0947	2.5367	2.2519	3.9872	2.8505	3.3259	2.9947
H9	3.4629	2.6074	3.4767	2.6166	3.0493	2.4448	2.1424	1.7912		1.0954	3.0410	2.1351	3.7113	3.0688	2.4767	2.7082
C10	3.3351	2.3332	3.3452	2.3408	2.1747	2.2098	1.5532	1.0947	1.0954		2.1632	1.5467	3.5204	2.8451	2.7941	2.5737
H11	2.8154	2.1241	3.8063	2.8216	2.5818	3.7654	2.7067	2.5367	3.0410	2.1632		1.1009	2.5317	2.5198	3.0785	2.1806
C12	2.2780	1.4998	3.3676	2.3412	2.7271	3.3698	2.3907	2.2519	2.1351	1.5467	1.1009		2.1784	2.1730	2.1608	1.5349
H13	2.8179	2.8669	5.0007	4.1453	4.8622	5.4831	4.5443	3.9872	3.7113	3.5204	2.5317	2.1784		1.7776	1.7799	1.0945
H14	3.9281	3.4948	5.4594	4.4459	4.5619	5.0509	4.2543	2.8505	3.0688	2.8451	2.5198	2.1730	1.7776		1.7800	1.0942
H15	3.0171	2.7993	4.6401	3.7896	4.6877	4.7102	4.0269	3.3259	2.4767	2.7941	3.0785	2.1608	1.7799	1.7800		1.0944
C16	2.8787	2.5658	4.6094	3.6594	4.2209	4.6513	3.7968	2.9947	2.7082	2.5737	2.1806	1.5349	1.0945	1.0942	1.0944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.768	H1	C2	C12	124.577
C2	C4	H3	124.939	C2	C4	C7	110.169
C2	C12	C10	99.956	C2	C12	H11	108.550
C2	C12	C16	115.444	H3	C4	C7	124.888
C4	C2	C12	110.649	C4	C7	H5	109.443
C4	C7	H6	115.110	C4	C7	C10	100.146
H5	C7	H6	110.581	H5	C7	C10	108.970
H6	C7	C10	112.050	C7	C10	H8	116.100
C7	C10	H9	106.688	C7	C10	C12	100.923
H8	C10	H9	109.739	H8	C10	C12	115.924
H9	C10	C12	106.573	C10	C12	H11	108.409
C10	C12	C16	113.271	H11	C12	C16	110.566
C12	C16	H13	110.771	C12	C16	H14	110.359
C12	C16	H15	109.392	H13	C16	H14	108.619
H13	C16	H15	108.814	H14	C16	H15	108.844

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

using model chemistry: HSEh1PBE/3-21G

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	0.204
2	C	-0.156
3	H	0.205
4	C	-0.198
5	H	0.227
6	H	0.220
7	C	-0.471
8	H	0.213
9	H	0.224
10	C	-0.407
11	H	0.228
12	C	-0.320
13	H	0.208
14	H	0.211
15	H	0.214
16	C	-0.602

	x	y	z	Total
	-0.021	-0.144	0.080	0.166
CHELPG
AIM
ESP

	x	y	z
x	10.240	-0.373	-0.568
y	-0.373	8.232	-0.108
z	-0.568	-0.108	6.342

<r²>	164.403
(<r²>)^1/2	12.822

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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