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	hartrees
Energy at 0K	-234.727409
Energy at 298.15K	-234.738316
Nuclear repulsion energy	233.542942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3165	3060	18.15
2	A	3091	2989	23.71
3	A	3082	2980	42.19
4	A	3047	2946	57.88
5	A	3042	2942	21.11
6	A	3032	2932	39.71
7	A	3024	2924	8.12
8	A	3004	2905	42.51
9	A	2988	2889	52.47
10	A	2984	2886	35.96
11	A	1711	1654	3.61
12	A	1511	1461	1.89
13	A	1494	1445	7.12
14	A	1490	1441	3.21
15	A	1487	1438	0.82
16	A	1482	1433	8.22
17	A	1416	1369	1.69
18	A	1361	1316	1.59
19	A	1326	1283	1.72
20	A	1318	1274	2.15
21	A	1291	1249	1.14
22	A	1246	1205	1.48
23	A	1232	1191	1.56
24	A	1170	1131	1.26
25	A	1157	1119	1.02
26	A	1090	1054	1.50
27	A	1036	1002	3.57
28	A	1028	995	6.09
29	A	1023	989	3.51
30	A	936	906	2.26
31	A	912	882	0.52
32	A	899	869	1.08
33	A	874	845	0.28
34	A	835	808	9.09
35	A	804	777	7.31
36	A	659	638	1.31
37	A	580	561	0.03
38	A	445	430	4.26
39	A	321	310	0.63
40	A	242	234	2.47
41	A	181	175	0.74
42	A	130	126	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.756	0.074	-0.002
H2	-0.342	2.172	-0.068
C3	0.024	1.154	-0.023
H4	-2.649	-0.452	0.859
H5	-2.606	-0.554	-0.890
H6	-2.681	1.029	-0.105
C7	-2.249	0.031	-0.038
H8	-0.039	-1.611	1.128
H9	-0.253	-1.969	-0.573
C10	0.070	-1.188	0.121
H11	1.771	-0.912	-1.193
H12	2.253	-1.222	0.466
C13	1.515	-0.711	-0.152
H14	1.877	1.084	1.075
H15	2.106	1.360	-0.638
C16	1.490	0.819	0.084

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1395	1.3323	2.1452	2.1462	2.1511	1.4938	2.1519	2.1801	1.5139	2.9625	3.3097	2.4075	3.0184	3.2011	2.3677
H2	2.1395		1.0831	3.6152	3.6378	2.6037	2.8675	3.9793	4.1726	3.3911	3.9041	4.3058	3.4307	2.7227	2.6412	2.2824
C3	1.3323	1.0831		3.2408	3.2539	2.7093	2.5354	2.9955	3.1828	2.3472	2.9476	3.2942	2.3912	2.1544	2.1803	1.5071
H4	2.1452	3.6152	3.2408		1.7525	1.7676	1.0941	2.8679	3.1768	2.9117	4.8946	4.9776	4.2923	4.7841	5.3040	4.3984
H5	2.1462	3.6378	3.2539	1.7525		1.7681	1.0938	3.4321	2.7647	2.9308	4.4024	5.0892	4.1897	5.1614	5.0920	4.4285
H6	2.1511	2.6037	2.7093	1.7676	1.7681		1.0897	3.9328	3.8861	3.5406	4.9769	5.4532	4.5425	4.7082	4.8276	4.1802
C7	1.4938	2.8675	2.5354	1.0941	1.0938	1.0897		2.9892	2.8757	2.6247	4.2875	4.7000	3.8377	4.4007	4.5923	3.8227
H8	2.1519	3.9793	2.9955	2.8679	3.4321	3.9328	2.9892		1.7507	1.0968	3.0252	2.4176	2.2048	3.3071	4.0678	3.0551
H9	2.1801	4.1726	3.1828	3.1768	2.7647	3.8861	2.8757	1.7507		1.0932	2.3656	2.8132	2.2093	4.0702	4.0799	3.3524
C10	1.5139	3.3911	2.3472	2.9117	2.9308	3.5406	2.6247	1.0968	1.0932		2.1674	2.2103	1.5457	3.0554	3.3489	2.4590
H11	2.9625	3.9041	2.9476	4.8946	4.4024	4.9769	4.2875	3.0252	2.3656	2.1674		1.7551	1.0910	3.0228	2.3625	2.1693
H12	3.3097	4.3058	3.2942	4.9776	5.0892	5.4532	4.7000	2.4176	2.8132	2.2103	1.7551		1.0896	2.4145	2.8120	2.2124
C13	2.4075	3.4307	2.3912	4.2923	4.1897	4.5425	3.8377	2.2048	2.2093	1.5457	1.0910	1.0896		2.2042	2.2084	1.5487
H14	3.0184	2.7227	2.1544	4.7841	5.1614	4.7082	4.4007	3.3071	4.0702	3.0554	3.0228	2.4145	2.2042		1.7502	1.0962
H15	3.2011	2.6412	2.1803	5.3040	5.0920	4.8276	4.5923	4.0678	4.0799	3.3489	2.3625	2.8120	2.2084	1.7502		1.0925
C16	2.3677	2.2824	1.5071	4.3984	4.4285	4.1802	3.8227	3.0551	3.3524	2.4590	2.1693	2.2124	1.5487	1.0962	1.0925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.375	C1	C3	C16	112.851
C1	C7	H4	111.034	C1	C7	H5	111.136
C1	C7	H6	111.784	C1	C10	H8	110.003
C1	C10	H9	112.478	C1	C10	C13	103.782
H2	C3	C16	122.726	C3	C1	C7	127.477
C3	C1	C10	110.951	C3	C16	C13	102.973
C3	C16	H14	110.704	C3	C16	H15	113.044
H4	C7	H5	106.452	H4	C7	H6	108.076
H5	C7	H6	108.143	C7	C1	C10	121.532
H8	C10	H9	106.144	H8	C10	C13	111.983
H9	C10	C13	112.566	C10	C13	H11	109.362
C10	C13	H12	112.868	C10	C13	C16	105.246
H11	C13	H12	107.198	H11	C13	C16	109.302
H12	C13	C16	112.819	C13	C16	H14	111.746
C13	C16	H15	112.315	H14	C16	H15	106.196

All results from a given calculation for C₆H₁₀ (Cyclopentene, 1-methyl-)

using model chemistry: B3LYP/6-311+G(3df,2p)

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	0.387
2	H	0.120
3	C	-0.406
4	H	0.146
5	H	0.153
6	H	0.127
7	C	-0.459
8	H	0.150
9	H	0.137
10	C	-0.270
11	H	0.154
12	H	0.136
13	C	-0.321
14	H	0.151
15	H	0.138
16	C	-0.343

	x	y	z	Total
	-0.121	-0.220	0.071	0.261
CHELPG
AIM
ESP

	x	y	z
x	12.300	0.793	0.030
y	0.793	11.136	-0.076
z	0.030	-0.076	8.363

<r²>	170.609
(<r²>)^1/2	13.062

All results from a given calculation for C6H10 (Cyclopentene, 1-methyl-)

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 1-methyl-)