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	hartrees
Energy at 0K	-233.043422
Energy at 298.15K	-233.054700
Nuclear repulsion energy	233.673585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3328	3031	21.64
2	A	3246	2956	33.65
3	A	3235	2945	74.25
4	A	3204	2918	41.52
5	A	3202	2916	66.98
6	A	3190	2905	43.81
7	A	3177	2893	13.81
8	A	3155	2873	61.29
9	A	3150	2869	72.59
10	A	3144	2863	41.83
11	A	1863	1697	5.84
12	A	1622	1477	0.75
13	A	1599	1457	0.70
14	A	1588	1446	2.05
15	A	1588	1446	6.15
16	A	1577	1436	7.47
17	A	1526	1389	1.50
18	A	1475	1343	1.72
19	A	1447	1317	0.77
20	A	1438	1309	3.05
21	A	1382	1258	1.55
22	A	1347	1226	0.65
23	A	1327	1209	2.02
24	A	1256	1144	1.74
25	A	1243	1132	0.86
26	A	1175	1070	4.04
27	A	1114	1015	4.89
28	A	1101	1003	5.95
29	A	1099	1000	1.86
30	A	1000	911	2.66
31	A	976	889	0.37
32	A	962	876	1.76
33	A	934	850	0.90
34	A	902	822	12.89
35	A	862	785	5.40
36	A	703	640	1.07
37	A	615	560	0.03
38	A	476	434	4.75
39	A	341	311	0.68
40	A	261	237	2.74
41	A	197	179	0.64
42	A	140	128	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.754	0.073	-0.002
H2	-0.352	2.167	-0.069
C3	0.018	1.151	-0.022
H4	-2.646	-0.457	0.860
H5	-2.602	-0.554	-0.894
H6	-2.680	1.026	-0.103
C7	-2.252	0.027	-0.038
H8	-0.032	-1.609	1.126
H9	-0.243	-1.964	-0.577
C10	0.076	-1.188	0.122
H11	1.771	-0.905	-1.193
H12	2.255	-1.215	0.467
C13	1.516	-0.707	-0.152
H14	1.872	1.087	1.073
H15	2.097	1.360	-0.644
C16	1.489	0.821	0.084

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1332	1.3265	2.1454	2.1462	2.1515	1.4999	2.1497	2.1779	1.5148	2.9578	3.3059	2.4048	3.0127	3.1929	2.3652
H2	2.1332		1.0820	3.6066	3.6259	2.5923	2.8620	3.9734	4.1640	3.3880	3.8998	4.3034	3.4286	2.7236	2.6415	2.2856
C3	1.3265	1.0820		3.2345	3.2458	2.7021	2.5339	2.9902	3.1757	2.3450	2.9448	3.2925	2.3902	2.1541	2.1794	1.5108
H4	2.1454	3.6066	3.2345		1.7571	1.7687	1.0929	2.8686	3.1799	2.9136	4.8908	4.9745	4.2906	4.7789	5.2966	4.3963
H5	2.1462	3.6259	3.2458	1.7571		1.7691	1.0924	3.4349	2.7666	2.9335	4.3969	5.0870	4.1875	5.1554	5.0799	4.4248
H6	2.1515	2.5923	2.7021	1.7687	1.7691		1.0888	3.9326	3.8868	3.5426	4.9724	5.4496	4.5401	4.7016	4.8185	4.1776
C7	1.4999	2.8620	2.5339	1.0929	1.0924	1.0888		2.9934	2.8801	2.6314	4.2882	4.7023	3.8411	4.4008	4.5890	3.8262
H8	2.1497	3.9734	2.9902	2.8686	3.4349	3.9326	2.9934		1.7531	1.0947	3.0208	2.4127	2.2013	3.3006	4.0599	3.0501
H9	2.1779	4.1640	3.1757	3.1799	2.7666	3.8868	2.8801	1.7531		1.0919	2.3571	2.8091	2.2042	4.0627	4.0661	3.3454
C10	1.5148	3.3880	2.3450	2.9136	2.9335	3.5426	2.6314	1.0947	1.0919		2.1633	2.2062	1.5431	3.0507	3.3415	2.4563
H11	2.9578	3.8998	2.9448	4.8908	4.3969	4.9724	4.2882	3.0208	2.3571	2.1633		1.7564	1.0901	3.0187	2.3539	2.1652
H12	3.3059	4.3034	3.2925	4.9745	5.0870	5.4496	4.7023	2.4127	2.8091	2.2062	1.7564		1.0891	2.4105	2.8090	2.2084
C13	2.4048	3.4286	2.3902	4.2906	4.1875	4.5401	3.8411	2.2013	2.2042	1.5431	1.0901	1.0891		2.2005	2.2026	1.5455
H14	3.0127	2.7236	2.1541	4.7789	5.1554	4.7016	4.4008	3.3006	4.0627	3.0507	3.0187	2.4105	2.2005		1.7531	1.0940
H15	3.1929	2.6415	2.1794	5.2966	5.0799	4.8185	4.5890	4.0599	4.0661	3.3415	2.3539	2.8090	2.2026	1.7531		1.0910
C16	2.3652	2.2856	1.5108	4.3963	4.4248	4.1776	3.8262	3.0501	3.3454	2.4563	2.1652	2.2084	1.5455	1.0940	1.0910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.372	C1	C3	C16	112.784
C1	C7	H4	110.697	C1	C7	H5	110.793
C1	C7	H6	111.440	C1	C10	H8	109.888
C1	C10	H9	112.319	C1	C10	C13	103.699
H2	C3	C16	122.800	C3	C1	C7	127.304
C3	C1	C10	111.072	C3	C16	C13	102.895
C3	C16	H14	110.559	C3	C16	H15	112.788
H4	C7	H5	107.040	H4	C7	H6	108.322
H5	C7	H6	108.399	C7	C1	C10	121.587
H8	C10	H9	106.597	H8	C10	C13	112.012
H9	C10	C13	112.416	C10	C13	H11	109.267
C10	C13	H12	112.746	C10	C13	C16	105.360
H11	C13	H12	107.403	H11	C13	C16	109.254
H12	C13	C16	112.756	C13	C16	H14	111.819
C13	C16	H15	112.171	H14	C16	H15	106.712

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

using model chemistry: HF/aug-cc-pVDZ

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	-0.660
2	H	-0.413
3	C	0.207
4	H	0.042
5	H	0.047
6	H	-0.139
7	C	0.531
8	H	-0.025
9	H	-0.061
10	C	-0.004
11	H	-0.147
12	H	-0.114
13	C	0.523
14	H	-0.053
15	H	-0.041
16	C	0.306

	x	y	z	Total
	-0.126	-0.219	0.075	0.264
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	170.522
(<r²>)^1/2	13.058

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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