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	hartrees
Energy at 0K	-233.368552
Energy at 298.15K	-233.379711
Nuclear repulsion energy	233.477242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3226	3113	25.73
2	A	3198	3085	5.44
3	A	3109	3000	58.90
4	A	3102	2993	23.11
5	A	3087	2979	18.35
6	A	3080	2972	26.23
7	A	3057	2950	3.26
8	A	3042	2935	29.93
9	A	3024	2918	15.45
10	A	3024	2918	33.56
11	A	1683	1623	1.20
12	A	1570	1515	7.67
13	A	1564	1509	3.07
14	A	1545	1491	1.04
15	A	1541	1487	2.30
16	A	1463	1411	4.30
17	A	1395	1346	0.30
18	A	1384	1336	4.40
19	A	1363	1315	0.01
20	A	1326	1280	2.43
21	A	1319	1273	7.08
22	A	1279	1235	0.92
23	A	1209	1167	0.58
24	A	1166	1125	3.62
25	A	1165	1124	0.09
26	A	1125	1086	0.45
27	A	1065	1028	0.79
28	A	1000	965	4.03
29	A	991	956	0.65
30	A	968	934	3.93
31	A	953	920	2.97
32	A	925	892	2.64
33	A	906	874	2.48
34	A	812	784	1.62
35	A	789	761	0.67
36	A	715	690	42.73
37	A	589	568	5.76
38	A	425	410	1.38
39	A	395	381	0.07
40	A	326	315	0.22
41	A	259	250	0.03
42	A	92	89	0.04

Atom	x (Å)	y (Å)	z (Å)
H1	-2.439	-1.295	-0.173
C2	-1.561	-0.668	-0.081
H3	-2.439	1.295	-0.173
C4	-1.561	0.668	-0.081
H5	0.167	-1.637	-0.962
H6	-0.070	-2.052	0.747
C7	-0.153	-1.241	0.014
H8	-0.070	2.052	0.747
H9	0.167	1.637	-0.962
C10	-0.152	1.241	0.014
H11	0.811	0.000	1.511
C12	0.718	0.000	0.418
H13	2.687	-0.887	0.087
H14	2.687	0.887	0.086
H15	2.037	-0.000	-1.309
C16	2.119	-0.000	-0.216

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0835	2.5906	2.1525	2.7443	2.6515	2.2949	4.2025	4.0018	3.4204	3.8827	3.4636	5.1493	5.5779	4.7960	4.7385
C2	1.0835		2.1525	1.3353	2.1681	2.1962	1.5236	3.2098	3.0122	2.3742	2.9334	2.4268	4.2571	4.5270	3.8594	3.7420
H3	2.5906	2.1525		1.0835	4.0017	4.2026	3.4204	2.6515	2.7443	2.2950	3.8829	3.4637	5.5779	5.1494	4.7960	4.7385
C4	2.1525	1.3353	1.0835		3.0121	3.2099	2.3742	2.1962	2.1682	1.5237	2.9334	2.4268	4.5270	4.2572	3.8595	3.7420
H5	2.7443	2.1681	4.0017	3.0121		1.7743	1.1002	4.0725	3.2745	3.0562	3.0344	2.2109	2.8307	3.7181	2.5092	2.6544
H6	2.6515	2.1962	4.2026	3.2099	1.7743		1.0959	4.1036	4.0725	3.3749	2.3600	2.2227	3.0654	4.0841	3.5885	3.1509
C7	2.2949	1.5236	3.4204	2.3742	1.1002	1.0959		3.3749	3.0563	2.4829	2.1702	1.5694	2.8628	3.5500	2.8433	2.5985
H8	4.2025	3.2098	2.6515	2.1962	4.0725	4.1036	3.3749		1.7743	1.0959	2.3600	2.2226	4.0842	3.0656	3.5886	3.1510
H9	4.0018	3.0122	2.7443	2.1682	3.2745	4.0725	3.0563	1.7743		1.1002	3.0344	2.2109	3.7182	2.8308	2.5094	2.6545
C10	3.4204	2.3742	2.2950	1.5237	3.0562	3.3749	2.4829	1.0959	1.1002		2.1702	1.5693	3.5500	2.8628	2.8433	2.5985
H11	3.8827	2.9334	3.8829	2.9334	3.0344	2.3600	2.1702	2.3600	3.0344	2.1702		1.0966	2.5172	2.5172	3.0747	2.1657
C12	3.4636	2.4268	3.4637	2.4268	2.2109	2.2227	1.5694	2.2226	2.2109	1.5693	1.0966		2.1851	2.1851	2.1729	1.5371
H13	5.1493	4.2571	5.5779	4.5270	2.8307	3.0654	2.8628	4.0842	3.7182	3.5500	2.5172	2.1851		1.7748	1.7774	1.0964
H14	5.5779	4.5270	5.1494	4.2572	3.7181	4.0841	3.5500	3.0656	2.8308	2.8628	2.5172	2.1851	1.7748		1.7774	1.0964
H15	4.7960	3.8594	4.7960	3.8595	2.5092	3.5885	2.8433	3.5886	2.5094	2.8433	3.0747	2.1729	1.7774	1.7774		1.0967
C16	4.7385	3.7420	4.7385	3.7420	2.6544	3.1509	2.5985	3.1510	2.6545	2.5985	2.1657	1.5371	1.0964	1.0964	1.0967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.399	H1	C2	C7	122.442
C2	C4	H3	125.402	C2	C4	C10	112.120
C2	C7	H5	110.401	C2	C7	H6	112.928
C2	C7	C12	103.358	H3	C4	C10	122.442
C4	C2	C7	112.125	C4	C10	H8	112.921
C4	C10	H9	110.401	C4	C10	C12	103.359
H5	C7	H6	107.788	H5	C7	C12	110.590
H6	C7	C12	111.779	C7	C12	C10	104.571
C7	C12	H11	107.666	C7	C12	C16	113.539
H8	C10	H9	107.788	H8	C10	C12	111.781
H9	C10	C12	110.595	C10	C12	H11	107.667
C10	C12	C16	113.543	H11	C12	C16	109.496
C12	C16	H13	111.036	C12	C16	H14	111.037
C12	C16	H15	110.055	H13	C16	H14	108.060
H13	C16	H15	108.278	H14	C16	H15	108.277

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

using model chemistry: B3LYP/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	ESP
1	H	0.174	0.154
2	C	-0.163	-0.236
3	H	0.174	0.154
4	C	-0.163	-0.236
5	H	0.197	0.070
6	H	0.191	0.047
7	C	-0.396	-0.067
8	H	0.191	0.047
9	H	0.197	0.070
10	C	-0.396	-0.067
11	H	0.198	0.045
12	C	-0.216	0.147
13	H	0.185	0.132
14	H	0.185	0.132
15	H	0.185	0.146
16	C	-0.542	-0.538

	x	y	z	Total
	0.186	0.000	-0.004	0.186
CHELPG
AIM
ESP	0.181	0.000	-0.017	0.182

	x	y	z
x	8.957	0.000	0.106
y	0.000	9.593	0.000
z	0.106	0.000	6.174

<r²>	165.506
(<r²>)^1/2	12.865

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

using model chemistry: B3LYP/3-21G

States and conformations

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