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	hartrees
Energy at 0K	-234.390328
Energy at 298.15K	-234.401462
HF Energy	-234.390328
Nuclear repulsion energy	235.271665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3088	26.75
2	A'	3127	2986	46.23
3	A'	3093	2953	27.53
4	A'	3050	2912	30.31
5	A'	3047	2909	24.99
6	A'	3019	2882	21.67
7	A'	1701	1624	5.50
8	A'	1502	1435	9.77
9	A'	1492	1424	0.84
10	A'	1414	1350	6.55
11	A'	1380	1318	4.13
12	A'	1308	1249	0.62
13	A'	1240	1184	0.32
14	A'	1136	1084	0.49
15	A'	1118	1068	0.74
16	A'	1075	1027	3.56
17	A'	996	951	0.92
18	A'	934	891	6.79
19	A'	836	799	1.62
20	A'	705	673	47.57
21	A'	572	546	4.60
22	A'	424	405	1.21
23	A'	110	105	0.15
24	A"	3209	3064	7.69
25	A"	3130	2988	26.32
26	A"	3089	2949	34.69
27	A"	3019	2883	47.13
28	A"	1499	1431	3.69
29	A"	1483	1416	3.39
30	A"	1381	1319	0.81
31	A"	1339	1278	2.14
32	A"	1296	1237	3.79
33	A"	1178	1125	0.01
34	A"	1153	1101	2.60
35	A"	999	953	11.35
36	A"	973	929	0.03
37	A"	933	891	5.00
38	A"	909	868	0.03
39	A"	779	744	0.68
40	A"	399	381	0.10
41	A"	316	301	0.04
42	A"	256	244	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.267	2.103	0.000
C2	-0.365	0.717	0.000
C3	0.003	-0.152	1.226
C4	0.003	-0.152	-1.226
C5	0.003	-1.551	0.668
C6	0.003	-1.551	-0.668
H7	-0.032	2.676	0.885
H8	-0.032	2.676	-0.885
H9	1.361	2.032	0.000
H10	-1.457	0.831	0.000
H11	1.000	0.106	1.614
H12	1.000	0.106	-1.614
H13	-0.701	-0.018	2.056
H14	-0.701	-0.018	-2.056
H15	0.041	-2.438	1.295
H16	0.041	-2.438	-1.295

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5225	2.5796	2.5796	3.7241	3.7241	1.0957	1.0957	1.0964	2.1421	2.6701	2.6701	3.1078	3.1078	4.7277	4.7277
C2	1.5225		1.5467	1.5467	2.3934	2.3934	2.1750	2.1750	2.1688	1.0981	2.2002	2.2002	2.2090	2.2090	3.4352	3.4352
C3	2.5796	1.5467		2.4512	1.5066	2.3548	2.8485	3.5287	2.8482	2.1442	1.1008	3.0206	1.0966	3.3588	2.2881	3.4037
C4	2.5796	1.5467	2.4512		2.3548	1.5066	3.5287	2.8485	2.8482	2.1442	3.0206	1.1008	3.3588	1.0966	3.4037	2.2881
C5	3.7241	2.3934	1.5066	2.3548		1.3362	4.2332	4.5038	3.8893	2.8724	2.1533	2.9916	2.1848	3.2043	1.0870	2.1547
C6	3.7241	2.3934	2.3548	1.5066	1.3362		4.5038	4.2332	3.8893	2.8724	2.9916	2.1533	3.2043	2.1848	2.1547	1.0870
H7	1.0957	2.1750	2.8485	3.5287	4.2332	4.5038		1.7694	1.7713	2.4938	2.8638	3.7300	3.0125	4.0436	5.1315	5.5602
H8	1.0957	2.1750	3.5287	2.8485	4.5038	4.2332	1.7694		1.7713	2.4938	3.7300	2.8638	4.0436	3.0125	5.5602	5.1315
H9	1.0964	2.1688	2.8482	2.8482	3.8893	3.8893	1.7713	1.7713		3.0627	2.5380	2.5380	3.5602	3.5602	4.8371	4.8371
H10	2.1421	1.0981	2.1442	2.1442	2.8724	2.8724	2.4938	2.4938	3.0627		3.0275	3.0275	2.3490	2.3490	3.8221	3.8221
H11	2.6701	2.2002	1.1008	3.0206	2.1533	2.9916	2.8638	3.7300	2.5380	3.0275		3.2279	1.7617	4.0467	2.7378	3.9821
H12	2.6701	2.2002	3.0206	1.1008	2.9916	2.1533	3.7300	2.8638	2.5380	3.0275	3.2279		4.0467	1.7617	3.9821	2.7378
H13	3.1078	2.2090	1.0966	3.3588	2.1848	3.2043	3.0125	4.0436	3.5602	2.3490	1.7617	4.0467		4.1118	2.6438	4.2001
H14	3.1078	2.2090	3.3588	1.0966	3.2043	2.1848	4.0436	3.0125	3.5602	2.3490	4.0467	1.7617	4.1118		4.2001	2.6438
H15	4.7277	3.4352	2.2881	3.4037	1.0870	2.1547	5.1315	5.5602	4.8371	3.8221	2.7378	3.9821	2.6438	4.2001		2.5904
H16	4.7277	3.4352	3.4037	2.2881	2.1547	1.0870	5.5602	5.1315	4.8371	3.8221	3.9821	2.7378	4.2001	2.6438	2.5904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	114.381	H1	C2	C7	27.992
C2	C4	H3	37.590	C2	C4	C10	29.303
C2	C7	H5	23.223	C2	C7	H6	10.119
C2	C7	C12	31.713	H3	C4	C10	55.139
C4	C2	C7	142.371	C4	C10	H8	75.362
C4	C10	H9	63.473	C4	C10	C12	14.814
H5	C7	H6	17.235	H5	C7	C12	43.563
H6	C7	C12	28.379	C7	C12	C10	41.713
C7	C12	H11	47.942	C7	C12	C16	117.743
H8	C10	H9	35.334	H8	C10	C12	61.592
H9	C10	C12	49.253	C10	C12	H11	57.785
C10	C12	C16	82.886	H11	C12	C16	83.314
C12	C16	H13	67.609	C12	C16	H14	38.165
C12	C16	H15	96.686	H13	C16	H14	69.648
H13	C16	H15	37.074	H14	C16	H15	106.722

All results from a given calculation for C₆H₁₀ (Cyclopentene, 4-methyl-)

using model chemistry: HSEh1PBE/6-31+G**

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	-0.659
2	C	0.279
3	C	-0.573
4	C	-0.573
5	C	-0.045
6	C	-0.045
7	H	0.162
8	H	0.162
9	H	0.163
10	H	0.168
11	H	0.168
12	H	0.168
13	H	0.165
14	H	0.165
15	H	0.148
16	H	0.148

	x	y	z	Total
	0.002	0.268	0.000	0.268
CHELPG
AIM
ESP

	x	y	z
x	8.148	0.114	0.000
y	0.114	10.753	0.000
z	0.000	0.000	11.110

<r²>	163.974
(<r²>)^1/2	12.805

All results from a given calculation for C6H10 (Cyclopentene, 4-methyl-)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 4-methyl-)