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	hartrees
Energy at 0K	-39.854348
Energy at 298.15K	-39.865238
Nuclear repulsion energy	125.146938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3148	3068	30.90
2	A	3075	2997	38.70
3	A	3066	2988	81.49
4	A	3029	2951	48.74
5	A	3023	2946	78.11
6	A	3013	2936	40.89
7	A	2998	2921	21.28
8	A	2968	2893	73.75
9	A	2963	2887	81.82
10	A	2959	2883	50.49
11	A	1687	1644	2.99
12	A	1529	1490	2.09
13	A	1515	1477	6.50
14	A	1511	1472	3.99
15	A	1508	1469	1.02
16	A	1504	1466	11.00
17	A	1434	1397	3.47
18	A	1360	1326	1.99
19	A	1327	1294	2.00
20	A	1317	1283	1.86
21	A	1295	1262	0.85
22	A	1245	1213	1.58
23	A	1229	1198	1.76
24	A	1173	1143	1.06
25	A	1156	1126	0.82
26	A	1101	1073	0.94
27	A	1047	1021	2.50
28	A	1033	1007	7.42
29	A	1032	1006	4.65
30	A	936	912	3.09
31	A	913	890	0.67
32	A	900	877	1.88
33	A	864	842	0.17
34	A	837	815	11.80
35	A	805	784	8.33
36	A	659	642	2.02
37	A	573	559	0.07
38	A	434	423	4.63
39	A	316	307	0.60
40	A	238	232	3.12
41	A	172	168	0.70
42	A	126	123	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.764	0.085	0.000
H2	-0.331	2.211	-0.069
C3	0.033	1.185	-0.021
H4	-2.686	-0.441	0.863
H5	-2.639	-0.538	-0.901
H6	-2.709	1.052	-0.105
C7	-2.279	0.045	-0.038
H8	-0.029	-1.628	1.133
H9	-0.248	-1.977	-0.583
C10	0.076	-1.197	0.122
H11	1.802	-0.918	-1.203
H12	2.281	-1.225	0.473
C13	1.541	-0.713	-0.155
H14	1.916	1.103	1.079
H15	2.136	1.380	-0.651
C16	1.520	0.840	0.083

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1699	1.3581	2.1714	2.1716	2.1745	1.5165	2.1814	2.2050	1.5376	3.0059	3.3484	2.4445	3.0625	3.2415	2.4063
H2	2.1699		1.0894	3.6662	3.6840	2.6450	2.9131	4.0336	4.2205	3.4372	3.9526	4.3502	3.4733	2.7557	2.6675	2.3085
C3	1.3581	1.0894		3.2885	3.2987	2.7461	2.5780	3.0409	3.2245	2.3867	2.9915	3.3329	2.4285	2.1819	2.2040	1.5300
H4	2.1714	3.6662	3.2885		1.7669	1.7790	1.1014	2.9227	3.2242	2.9576	4.9632	5.0434	4.3565	4.8584	5.3715	4.4647
H5	2.1716	3.6840	3.2987	1.7669		1.7795	1.1012	3.4836	2.8086	2.9747	4.4670	5.1540	4.2497	5.2302	5.1515	4.4898
H6	2.1745	2.6450	2.7461	1.7790	1.7795		1.0970	3.9870	3.9322	3.5866	5.0429	5.5152	4.6025	4.7739	4.8862	4.2380
C7	1.5165	2.9131	2.5780	1.1014	1.1012	1.0970		3.0388	2.9176	2.6672	4.3517	4.7613	3.8968	4.4683	4.6530	3.8831
H8	2.1814	4.0336	3.0409	2.9227	3.4836	3.9870	3.0388		1.7651	1.1040	3.0515	2.4355	2.2274	3.3528	4.1127	3.0966
H9	2.2050	4.2205	3.2245	3.2242	2.8086	3.9322	2.9176	1.7651		1.1006	2.3894	2.8421	2.2324	4.1150	4.1183	3.3919
C10	1.5376	3.4372	2.3867	2.9576	2.9747	3.5866	2.6672	1.1040	1.1006		2.1936	2.2331	1.5680	3.0968	3.3884	2.4968
H11	3.0059	3.9526	2.9915	4.9632	4.4670	5.0429	4.3517	3.0515	2.3894	2.1936		1.7701	1.0987	3.0497	2.3866	2.1956
H12	3.3484	4.3502	3.3329	5.0434	5.1540	5.5152	4.7613	2.4355	2.8421	2.2331	1.7701		1.0973	2.4332	2.8412	2.2352
C13	2.4445	3.4733	2.4285	4.3565	4.2497	4.6025	3.8968	2.2274	2.2324	1.5680	1.0987	1.0973		2.2273	2.2318	1.5712
H14	3.0625	2.7557	2.1819	4.8584	5.2302	4.7739	4.4683	3.3528	4.1150	3.0968	3.0497	2.4332	2.2273		1.7652	1.1035
H15	3.2415	2.6675	2.2040	5.3715	5.1515	4.8862	4.6530	4.1127	4.1183	3.3884	2.3866	2.8412	2.2318	1.7652		1.0998
C16	2.4063	2.3085	1.5300	4.4647	4.4898	4.2380	3.8831	3.0966	3.3919	2.4968	2.1956	2.2352	1.5712	1.1035	1.0998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.535	C1	C3	C16	112.717
C1	C7	H4	111.090	C1	C7	H5	111.122
C1	C7	H6	111.608	C1	C10	H8	110.258
C1	C10	H9	112.338	C1	C10	C13	103.835
H2	C3	C16	122.713	C3	C1	C7	127.405
C3	C1	C10	110.870	C3	C16	C13	103.079
C3	C16	H14	110.855	C3	C16	H15	112.848
H4	C7	H5	106.676	H4	C7	H6	108.041
H5	C7	H6	108.102	C7	C1	C10	121.694
H8	C10	H9	106.382	H8	C10	C13	111.763
H9	C10	C13	112.374	C10	C13	H11	109.431
C10	C13	H12	112.631	C10	C13	C16	105.382
H11	C13	H12	107.423	H11	C13	C16	109.365
H12	C13	C16	112.571	C13	C16	H14	111.562
C13	C16	H15	112.139	H14	C16	H15	106.476

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

using model chemistry: B3LYP/CEP-121G

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	0.374
2	H	0.156
3	C	-0.201
4	H	0.152
5	H	0.153
6	H	0.163
7	C	-0.633
8	H	0.136
9	H	0.136
10	C	-0.373
11	H	0.142
12	H	0.128
13	C	-0.276
14	H	0.137
15	H	0.134
16	C	-0.326

	x	y	z	Total
	-0.131	-0.236	0.072	0.279
CHELPG
AIM
ESP

	x	y	z
x	11.591	1.017	0.083
y	1.017	10.812	-0.114
z	0.083	-0.114	7.705

<r²>	145.604
(<r²>)^1/2	12.067

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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