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	hartrees
Energy at 0K	-233.987137
Energy at 298.15K	-233.998123
HF Energy	-233.056941
Nuclear repulsion energy	233.710617

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3212	3042	17.01
2	A	3168	3000	19.99
3	A	3158	2991	39.40
4	A	3134	2969	19.25
5	A	3123	2957	32.13
6	A	3114	2949	29.95
7	A	3094	2930	21.43
8	A	3064	2902	37.65
9	A	3058	2896	42.94
10	A	3052	2891	31.76
11	A	1711	1620	1.49
12	A	1544	1463	2.26
13	A	1527	1447	10.64
14	A	1525	1444	2.26
15	A	1520	1439	1.55
16	A	1515	1435	11.75
17	A	1447	1370	4.25
18	A	1381	1308	2.13
19	A	1360	1288	1.30
20	A	1348	1277	3.21
21	A	1296	1228	1.09
22	A	1273	1206	1.07
23	A	1261	1195	1.31
24	A	1195	1131	1.06
25	A	1173	1111	1.33
26	A	1105	1046	0.93
27	A	1068	1011	1.41
28	A	1043	988	5.81
29	A	1031	976	4.15
30	A	964	913	2.09
31	A	943	893	0.91
32	A	920	872	0.21
33	A	893	846	0.44
34	A	842	798	0.77
35	A	798	756	18.78
36	A	647	613	1.54
37	A	578	547	0.04
38	A	436	413	4.34
39	A	319	302	0.51
40	A	251	238	2.69
41	A	176	166	0.56
42	A	170	161	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	-0.755	0.072	-0.003
H2	-0.329	2.182	-0.090
C3	0.034	1.159	-0.029
H4	-2.651	-0.430	0.861
H5	-2.599	-0.575	-0.891
H6	-2.675	1.031	-0.142
C7	-2.249	0.030	-0.048
H8	0.022	-1.535	1.198
H9	-0.269	-2.005	-0.474
C10	0.078	-1.181	0.159
H11	1.652	-0.845	-1.277
H12	2.281	-1.253	0.324
C13	1.495	-0.706	-0.203
H14	1.841	0.998	1.134
H15	2.145	1.372	-0.561
C16	1.493	0.803	0.110

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1549	1.3443	2.1435	2.1457	2.1510	1.4950	2.1518	2.1847	1.5135	2.8735	3.3292	2.3896	2.9821	3.2267	2.3671
H2	2.1549		1.0875	3.6220	3.6597	2.6138	2.8843	3.9500	4.2059	3.3974	3.8079	4.3349	3.4185	2.7586	2.6459	2.2946
C3	1.3443	1.0875		3.2451	3.2687	2.7152	2.5475	2.9607	3.2104	2.3486	2.8622	3.3157	2.3759	2.1543	2.1868	1.5081
H4	2.1435	3.6220	3.2451		1.7591	1.7726	1.0954	2.9127	3.1535	2.9168	4.8232	5.0297	4.2902	4.7220	5.3171	4.3889
H5	2.1457	3.6597	3.2687	1.7591		1.7735	1.0950	3.4866	2.7656	2.9385	4.2765	5.0745	4.1535	5.1270	5.1379	4.4321
H6	2.1510	2.6138	2.7152	1.7726	1.7735		1.0923	3.9573	3.8888	3.5449	4.8510	5.4777	4.5185	4.6935	4.8503	4.1825
C7	1.4950	2.8843	2.5475	1.0954	1.0950	1.0923		3.0267	2.8716	2.6315	4.1824	4.7232	3.8192	4.3661	4.6226	3.8245
H8	2.1518	3.9500	2.9607	2.9127	3.4866	3.9573	3.0267		1.7619	1.0993	3.0430	2.4386	2.1958	3.1195	4.0063	2.9690
H9	2.1847	4.2059	3.2104	3.1535	2.7656	3.8888	2.8716	1.7619		1.0957	2.3831	2.7760	2.2078	4.0075	4.1519	3.3664
C10	1.5135	3.3974	2.3486	2.9168	2.9385	3.5449	2.6315	1.0993	1.0957		2.1570	2.2107	1.5382	2.9681	3.3628	2.4377
H11	2.8735	3.8079	2.8622	4.8232	4.2765	4.8510	4.1824	3.0430	2.3831	2.1570		1.7684	1.0942	3.0405	2.3812	2.1597
H12	3.3292	4.3349	3.3157	5.0297	5.0745	5.4777	4.7232	2.4386	2.7760	2.2107	1.7684		1.0932	2.4328	2.7737	2.2124
C13	2.3896	3.4185	2.3759	4.2902	4.1535	4.5185	3.8192	2.1958	2.2078	1.5382	1.0942	1.0932		2.1934	2.2062	1.5411
H14	2.9821	2.7586	2.1543	4.7220	5.1270	4.6935	4.3661	3.1195	4.0075	2.9681	3.0405	2.4328	2.1934		1.7615	1.0987
H15	3.2267	2.6459	2.1868	5.3171	5.1379	4.8503	4.6226	4.0063	4.1519	3.3628	2.3812	2.7737	2.2062	1.7615		1.0946
C16	2.3671	2.2946	1.5081	4.3889	4.4321	4.1825	3.8245	2.9690	3.3664	2.4377	2.1597	2.2124	1.5411	1.0987	1.0946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.444	C1	C3	C16	112.039
C1	C7	H4	110.738	C1	C7	H5	110.942
C1	C7	H6	111.534	C1	C10	H8	109.871
C1	C10	H9	112.736	C1	C10	C13	103.077
H2	C3	C16	123.446	C3	C1	C7	127.514
C3	C1	C10	110.394	C3	C16	C13	102.368
C3	C16	H14	110.477	C3	C16	H15	113.370
H4	C7	H5	106.861	H4	C7	H6	108.246
H5	C7	H6	108.353	C7	C1	C10	122.015
H8	C10	H9	106.770	H8	C10	C13	111.631
H9	C10	C13	112.823	C10	C13	H11	108.874
C10	C13	H12	113.219	C10	C13	C16	104.681
H11	C13	H12	107.887	H11	C13	C16	108.895
H12	C13	C16	113.156	C13	C16	H14	111.280
C13	C16	H15	112.558	H14	C16	H15	106.859

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

using model chemistry: MP2=FULL/6-311G*

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

using model chemistry: MP2=FULL/6-311G*

States and conformations

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