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	hartrees
Energy at 0K	-234.648142
Energy at 298.15K	-234.659027
Nuclear repulsion energy	232.748408

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3189	3055	22.65
2	A	3118	2987	24.79
3	A	3109	2979	46.83
4	A	3070	2941	69.94
5	A	3069	2940	21.09
6	A	3055	2927	35.66
7	A	3047	2919	13.44
8	A	3026	2899	43.66
9	A	3009	2883	55.31
10	A	3007	2881	41.27
11	A	1737	1664	2.03
12	A	1539	1475	0.36
13	A	1522	1458	3.45
14	A	1519	1455	2.20
15	A	1514	1450	0.35
16	A	1509	1446	7.44
17	A	1443	1383	0.55
18	A	1379	1321	0.87
19	A	1347	1291	0.44
20	A	1339	1283	3.12
21	A	1301	1247	1.13
22	A	1261	1208	1.59
23	A	1244	1192	1.09
24	A	1183	1133	1.23
25	A	1166	1117	1.03
26	A	1106	1059	0.34
27	A	1048	1004	3.23
28	A	1041	997	5.33
29	A	1035	992	3.45
30	A	948	908	1.32
31	A	922	883	0.26
32	A	908	870	0.78
33	A	879	842	0.31
34	A	841	806	4.83
35	A	808	775	6.79
36	A	660	633	1.60
37	A	580	556	0.13
38	A	443	424	2.52
39	A	320	306	0.52
40	A	241	231	1.74
41	A	183	176	0.56
42	A	134	128	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.759	0.073	-0.001
H2	-0.340	2.181	-0.069
C3	0.026	1.157	-0.023
H4	-2.663	-0.452	0.860
H5	-2.618	-0.553	-0.896
H6	-2.689	1.035	-0.107
C7	-2.257	0.032	-0.039
H8	-0.033	-1.615	1.137
H9	-0.252	-1.981	-0.568
C10	0.071	-1.192	0.125
H11	1.768	-0.909	-1.205
H12	2.264	-1.228	0.456
C13	1.518	-0.712	-0.156
H14	1.883	1.083	1.082
H15	2.116	1.366	-0.637
C16	1.494	0.821	0.085

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1498	1.3386	2.1553	2.1560	2.1597	1.4988	2.1613	2.1900	1.5184	2.9659	3.3226	2.4130	3.0286	3.2157	2.3757
H2	2.1498		1.0877	3.6319	3.6532	2.6135	2.8793	3.9941	4.1923	3.4032	3.9093	4.3217	3.4391	2.7334	2.6493	2.2888
C3	1.3386	1.0877		3.2559	3.2677	2.7190	2.5448	3.0055	3.1974	2.3545	2.9502	3.3060	2.3956	2.1621	2.1886	1.5106
H4	2.1553	3.6319	3.2559		1.7600	1.7746	1.0993	2.8894	3.1923	2.9270	4.9100	5.0045	4.3107	4.8035	5.3282	4.4168
H5	2.1560	3.6532	3.2677	1.7600		1.7755	1.0990	3.4556	2.7823	2.9464	4.4106	5.1103	4.2040	5.1813	5.1146	4.4454
H6	2.1597	2.6135	2.7190	1.7746	1.7755		1.0950	3.9532	3.9051	3.5548	4.9852	5.4750	4.5557	4.7245	4.8456	4.1936
C7	1.4988	2.8793	2.5448	1.0993	1.0990	1.0950		3.0066	2.8895	2.6352	4.2942	4.7190	3.8487	4.4155	4.6105	3.8351
H8	2.1613	3.9941	3.0055	2.8894	3.4556	3.9532	3.0066		1.7573	1.1017	3.0370	2.4266	2.2115	3.3091	4.0805	3.0612
H9	2.1900	4.1923	3.1974	3.1923	2.7823	3.9051	2.8895	1.7573		1.0986	2.3736	2.8189	2.2162	4.0826	4.1008	3.3656
C10	1.5184	3.4032	2.3545	2.9270	2.9464	3.5548	2.6352	1.1017	1.0986		2.1739	2.2178	1.5495	3.0615	3.3624	2.4655
H11	2.9659	3.9093	2.9502	4.9100	4.4106	4.9852	4.2942	3.0370	2.3736	2.1739		1.7627	1.0960	3.0353	2.3712	2.1756
H12	3.3226	4.3217	3.3060	5.0045	5.1103	5.4750	4.7190	2.4266	2.8189	2.2178	1.7627		1.0947	2.4244	2.8192	2.2200
C13	2.4130	3.4391	2.3956	4.3107	4.2040	4.5557	3.8487	2.2115	2.2162	1.5495	1.0960	1.0947		2.2111	2.2156	1.5522
H14	3.0286	2.7334	2.1621	4.8035	5.1813	4.7245	4.4155	3.3091	4.0826	3.0615	3.0353	2.4244	2.2111		1.7577	1.1014
H15	3.2157	2.6493	2.1886	5.3282	5.1146	4.8456	4.6105	4.0805	4.1008	3.3624	2.3712	2.8192	2.2156	1.7577		1.0978
C16	2.3757	2.2888	1.5106	4.4168	4.4454	4.1936	3.8351	3.0612	3.3656	2.4655	2.1756	2.2200	1.5522	1.1014	1.0978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.439	C1	C3	C16	112.847
C1	C7	H4	111.182	C1	C7	H5	111.252
C1	C7	H6	111.795	C1	C10	H8	110.146
C1	C10	H9	112.633	C1	C10	C13	103.724
H2	C3	C16	122.664	C3	C1	C7	127.408
C3	C1	C10	110.841	C3	C16	C13	102.910
C3	C16	H14	110.766	C3	C16	H15	113.127
H4	C7	H5	106.382	H4	C7	H6	107.950
H5	C7	H6	108.048	C7	C1	C10	121.712
H8	C10	H9	106.008	H8	C10	C13	111.946
H9	C10	C13	112.512	C10	C13	H11	109.316
C10	C13	H12	112.888	C10	C13	C16	105.288
H11	C13	H12	107.154	H11	C13	C16	109.272
H12	C13	C16	112.874	C13	C16	H14	111.745
C13	C16	H15	112.323	H14	C16	H15	106.114

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

using model chemistry: B3LYPultrafine/6-31G*

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	0.179
2	H	0.113
3	C	-0.158
4	H	0.152
5	H	0.152
6	H	0.153
7	C	-0.517
8	H	0.139
9	H	0.135
10	C	-0.322
11	H	0.142
12	H	0.133
13	C	-0.279
14	H	0.140
15	H	0.137
16	C	-0.300

	x	y	z	Total
	-0.146	-0.172	0.047	0.231
CHELPG
AIM
ESP

	x	y	z
x	10.521	0.888	0.081
y	0.888	9.654	-0.100
z	0.081	-0.100	6.760

<r²>	171.070
(<r²>)^1/2	13.079

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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