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	hartrees
Energy at 0K	-234.691707
Energy at 298.15K	-234.702821
Nuclear repulsion energy	234.605574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3189	3082	38.03
2	A	3164	3057	12.97
3	A	3081	2978	37.14
4	A	3081	2978	71.17
5	A	3050	2947	39.86
6	A	3043	2940	47.06
7	A	3021	2919	46.43
8	A	3015	2914	7.09
9	A	2988	2888	44.09
10	A	2987	2887	33.67
11	A	1684	1627	2.89
12	A	1520	1469	8.64
13	A	1516	1465	3.27
14	A	1510	1459	0.73
15	A	1503	1452	2.53
16	A	1426	1378	4.04
17	A	1382	1335	3.95
18	A	1381	1334	0.46
19	A	1342	1297	1.53
20	A	1317	1272	0.40
21	A	1304	1260	4.85
22	A	1249	1206	0.32
23	A	1178	1138	0.46
24	A	1157	1118	1.94
25	A	1135	1097	0.20
26	A	1112	1075	1.48
27	A	1068	1032	1.96
28	A	993	959	7.37
29	A	978	945	0.75
30	A	965	932	0.02
31	A	939	907	5.21
32	A	926	895	4.82
33	A	909	878	0.93
34	A	820	792	1.22
35	A	780	753	0.58
36	A	700	677	40.99
37	A	577	558	4.27
38	A	426	412	0.97
39	A	397	384	0.06
40	A	317	306	0.06
41	A	254	246	0.01
42	A	103	99	0.07

Atom	x (Å)	y (Å)	z (Å)
H1	-2.440	-1.289	-0.153
C2	-1.555	-0.666	-0.069
H3	-2.440	1.289	-0.152
C4	-1.555	0.666	-0.069
H5	0.147	-1.636	-0.975
H6	-0.055	-2.052	0.718
C7	-0.155	-1.229	0.001
H8	-0.055	2.053	0.717
H9	0.147	1.635	-0.976
C10	-0.155	1.229	0.001
H11	0.790	0.000	1.489
C12	0.710	0.000	0.395
H13	2.685	-0.882	0.119
H14	2.685	0.882	0.119
H15	2.087	-0.000	-1.289
C16	2.118	-0.000	-0.195

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0855	2.5782	2.1477	2.7363	2.6503	2.2904	4.1965	3.9898	3.4038	3.8454	3.4470	5.1479	5.5722	4.8417	4.7371
C2	1.0855		2.1477	1.3320	2.1580	2.1884	1.5104	3.2029	3.0020	2.3573	2.8930	2.4059	4.2494	4.5175	3.8977	3.7352
H3	2.5782	2.1477		1.0855	3.9906	4.1959	3.4038	2.6506	2.7365	2.2906	3.8452	3.4470	5.5724	5.1480	4.8421	4.7373
C4	2.1477	1.3320	1.0855		3.0026	3.2025	2.3573	2.1887	2.1578	1.5105	2.8930	2.4059	4.5176	4.2494	3.8980	3.7353
H5	2.7363	2.1580	3.9906	3.0026		1.7548	1.0998	4.0632	3.2712	3.0422	3.0265	2.2070	2.8649	3.7390	2.5568	2.6781
H6	2.6503	2.1884	4.1959	3.2025	1.7548		1.0955	4.1049	4.0627	3.3604	2.3497	2.2140	3.0391	4.0594	3.5816	3.1257
C7	2.2904	1.5104	3.4038	2.3573	1.0998	1.0955		3.3607	3.0417	2.4589	2.1489	1.5541	2.8638	3.5411	2.8641	2.5922
H8	4.1965	3.2029	2.6506	2.1887	4.0632	4.1049	3.3607		1.7548	1.0955	2.3501	2.2140	4.0592	3.0388	3.5814	3.1254
H9	3.9898	3.0020	2.7365	2.1578	3.2712	4.0627	3.0417	1.7548		1.0999	3.0267	2.2068	3.7390	2.8650	2.5569	2.6781
C10	3.4038	2.3573	2.2906	1.5105	3.0422	3.3604	2.4589	1.0955	1.0999		2.1488	1.5540	3.5410	2.8636	2.8642	2.5921
H11	3.8454	2.8930	3.8452	2.8930	3.0265	2.3497	2.1489	2.3501	3.0267	2.1488		1.0965	2.4986	2.4988	3.0657	2.1443
C12	3.4470	2.4059	3.4470	2.4059	2.2070	2.2140	1.5541	2.2140	2.2068	1.5540	1.0965		2.1806	2.1806	2.1755	1.5270
H13	5.1479	4.2494	5.5724	4.5176	2.8649	3.0391	2.8638	4.0592	3.7390	3.5410	2.4986	2.1806		1.7644	1.7665	1.0944
H14	5.5722	4.5175	5.1480	4.2494	3.7390	4.0594	3.5411	3.0388	2.8650	2.8636	2.4988	2.1806	1.7644		1.7665	1.0944
H15	4.8417	3.8977	4.8421	3.8980	2.5568	3.5816	2.8641	3.5814	2.5569	2.8642	3.0657	2.1755	1.7665	1.7665		1.0951
C16	4.7371	3.7352	4.7373	3.7353	2.6781	3.1257	2.5922	3.1254	2.6781	2.5921	2.1443	1.5270	1.0944	1.0944	1.0951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.033	H1	C2	C7	123.010
C2	C4	H3	125.033	C2	C4	C10	111.898
C2	C7	H5	110.546	C2	C7	H6	113.275
C2	C7	C12	103.446	H3	C4	C10	123.021
C4	C2	C7	111.908	C4	C10	H8	113.292
C4	C10	H9	110.519	C4	C10	C12	103.447
H5	C7	H6	106.134	H5	C7	C12	111.372
H6	C7	C12	112.194	C7	C12	C10	104.582
C7	C12	H11	107.064	C7	C12	C16	114.556
H8	C10	H9	106.134	H8	C10	C12	112.210
H9	C10	C12	111.364	C10	C12	H11	107.069
C10	C12	C16	114.558	H11	C12	C16	108.523
C12	C16	H13	111.507	C12	C16	H14	111.508
C12	C16	H15	111.058	H13	C16	H14	107.435
H13	C16	H15	107.563	H14	C16	H15	107.563

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

using model chemistry: B3LYP/6-311G*

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	ESP
1	H	0.184	0.147
2	C	-0.173	-0.249
3	H	0.184	0.147
4	C	-0.173	-0.249
5	H	0.203	0.042
6	H	0.207	0.016
7	C	-0.417	-0.002
8	H	0.207	0.016
9	H	0.203	0.042
10	C	-0.417	-0.003
11	H	0.204	0.008
12	C	-0.215	0.246
13	H	0.206	0.115
14	H	0.206	0.115
15	H	0.200	0.130
16	C	-0.610	-0.522

	x	y	z	Total
	0.146	-0.000	0.033	0.150
CHELPG
AIM
ESP	0.143	0.000	0.011	0.143

	x	y	z
x	10.263	-0.000	0.056
y	-0.000	10.713	-0.004
z	0.056	-0.004	7.346

<r²>	164.990
(<r²>)^1/2	12.845

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

using model chemistry: B3LYP/6-311G*

States and conformations

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