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	hartrees
Energy at 0K	-233.094242
Energy at 298.15K	-233.105768
Nuclear repulsion energy	236.119655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3341	3041	28.27
2	A	3313	3016	11.87
3	A	3206	2919	103.03
4	A	3202	2915	45.52
5	A	3186	2900	20.35
6	A	3179	2895	51.81
7	A	3148	2866	48.93
8	A	3147	2865	20.60
9	A	3133	2853	54.96
10	A	3132	2851	14.49
11	A	1815	1652	6.59
12	A	1622	1477	2.66
13	A	1615	1470	0.91
14	A	1614	1469	4.04
15	A	1611	1466	2.52
16	A	1537	1400	3.05
17	A	1505	1371	2.99
18	A	1496	1362	1.22
19	A	1457	1326	3.16
20	A	1427	1299	0.24
21	A	1417	1290	4.30
22	A	1344	1224	0.68
23	A	1271	1157	0.70
24	A	1247	1135	1.75
25	A	1221	1112	0.44
26	A	1198	1091	5.92
27	A	1141	1039	2.96
28	A	1092	994	0.44
29	A	1060	965	5.88
30	A	1030	938	2.04
31	A	1009	918	6.21
32	A	986	897	2.18
33	A	971	884	3.39
34	A	874	795	1.26
35	A	833	758	0.64
36	A	777	707	45.12
37	A	613	558	3.17
38	A	455	415	0.81
39	A	429	390	0.02
40	A	335	305	0.03
41	A	268	244	0.00
42	A	115	105	0.10

Atom	x (Å)	y (Å)	z (Å)
H1	-2.426	-1.273	-0.139
C2	-1.549	-0.658	-0.066
H3	-2.426	1.273	-0.139
C4	-1.549	0.658	-0.066
H5	0.139	-1.619	-0.975
H6	-0.054	-2.036	0.705
C7	-0.152	-1.222	-0.005
H8	-0.055	2.036	0.705
H9	0.139	1.619	-0.975
C10	-0.152	1.222	-0.005
H11	0.780	-0.000	1.473
C12	0.704	-0.000	0.390
H13	2.667	-0.876	0.130
H14	2.667	0.876	0.130
H15	2.087	0.000	-1.274
C16	2.112	0.000	-0.189

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0737	2.5457	2.1221	2.7199	2.6305	2.2782	4.1576	3.9549	3.3784	3.8074	3.4206	5.1159	5.5345	4.8248	4.7137
C2	1.0737		2.1221	1.3161	2.1442	2.1742	1.5074	3.1759	2.9765	2.3430	2.8678	2.3913	4.2262	4.4907	3.8874	3.7217
H3	2.5457	2.1221		1.0737	3.9547	4.1578	3.3784	2.6305	2.7198	2.2782	3.8076	3.4206	5.5345	5.1159	4.8247	4.7137
C4	2.1221	1.3161	1.0737		2.9763	3.1760	2.3430	2.1741	2.1442	1.5073	2.8679	2.3913	4.4907	4.2262	3.8874	3.7217
H5	2.7199	2.1442	3.9547	2.9763		1.7422	1.0881	4.0275	3.2379	3.0165	3.0043	2.1921	2.8580	3.7201	2.5508	2.6710
H6	2.6305	2.1742	4.1578	3.1760	1.7422		1.0844	4.0724	4.0276	3.3364	2.3307	2.1958	3.0140	4.0271	3.5564	3.1047
C7	2.2782	1.5074	3.3784	2.3430	1.0881	1.0844		3.3364	3.0166	2.4447	2.1324	1.5441	2.8440	3.5172	2.8495	2.5800
H8	4.1576	3.1759	2.6305	2.1741	4.0275	4.0724	3.3364		1.7422	1.0844	2.3306	2.1958	4.0272	3.0141	3.5565	3.1048
H9	3.9549	2.9765	2.7198	2.1442	3.2379	4.0276	3.0166	1.7422		1.0881	3.0043	2.1921	3.7201	2.8579	2.5509	2.6711
C10	3.3784	2.3430	2.2782	1.5073	3.0165	3.3364	2.4447	1.0844	1.0881		2.1323	1.5441	3.5172	2.8441	2.8496	2.5800
H11	3.8074	2.8678	3.8076	2.8679	3.0043	2.3307	2.1324	2.3306	3.0043	2.1323		1.0854	2.4761	2.4761	3.0416	2.1296
C12	3.4206	2.3913	3.4206	2.3913	2.1921	2.1958	1.5441	2.1958	2.1921	1.5441	1.0854		2.1649	2.1649	2.1632	1.5220
H13	5.1159	4.2262	5.5345	4.4907	2.8580	3.0140	2.8440	4.0272	3.7201	3.5172	2.4761	2.1649		1.7516	1.7533	1.0848
H14	5.5345	4.4907	5.1159	4.2262	3.7201	4.0271	3.5172	3.0141	2.8579	2.8441	2.4761	2.1649	1.7516		1.7533	1.0848
H15	4.8248	3.8874	4.8247	3.8874	2.5508	3.5564	2.8495	3.5565	2.5509	2.8496	3.0416	2.1632	1.7533	1.7533		1.0852
C16	4.7137	3.7217	4.7137	3.7217	2.6710	3.1047	2.5800	3.1048	2.6711	2.5800	2.1296	1.5220	1.0848	1.0848	1.0852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.927	H1	C2	C7	123.050
C2	C4	H3	124.928	C2	C4	C10	111.985
C2	C7	H5	110.365	C2	C7	H6	113.031
C2	C7	C12	103.188	H3	C4	C10	123.048
C4	C2	C7	111.984	C4	C10	H8	113.029
C4	C10	H9	110.367	C4	C10	C12	103.188
H5	C7	H6	106.632	H5	C7	C12	111.601
H6	C7	C12	112.124	C7	C12	C10	104.673
C7	C12	H11	107.082	C7	C12	C16	114.583
H8	C10	H9	106.633	H8	C10	C12	112.122
H9	C10	C12	111.603	C10	C12	H11	107.079
C10	C12	C16	114.584	H11	C12	C16	108.357
C12	C16	H13	111.188	C12	C16	H14	111.188
C12	C16	H15	111.030	H13	C16	H14	107.674
H13	C16	H15	107.799	H14	C16	H15	107.799

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

using model chemistry: HF/aug-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	0.491
2	C	-0.748
3	H	0.491
4	C	-0.748
5	H	0.227
6	H	0.281
7	C	-0.492
8	H	0.281
9	H	0.227
10	C	-0.492
11	H	0.268
12	C	0.338
13	H	0.267
14	H	0.267
15	H	0.275
16	C	-0.934

	x	y	z	Total
	0.225	0.000	0.024	0.226
CHELPG
AIM
ESP

	x	y	z
x	10.562	0.000	0.001
y	0.000	10.912	0.000
z	0.001	0.000	8.177

<r²>	163.389
(<r²>)^1/2	12.782

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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