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	hartrees
Energy at 0K	-234.510650
Energy at 298.15K	-234.521396
HF Energy	-234.510650
Nuclear repulsion energy	232.260657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3132	3078	28.32
2	A	3064	3012	31.30
3	A	3055	3003	51.80
4	A	3014	2962	26.06
5	A	3012	2961	75.35
6	A	3002	2950	46.90
7	A	2992	2941	10.43
8	A	2963	2912	62.84
9	A	2948	2897	70.59
10	A	2945	2895	48.88
11	A	1674	1645	3.02
12	A	1480	1455	1.15
13	A	1464	1439	8.03
14	A	1460	1435	1.25
15	A	1456	1430	1.66
16	A	1454	1429	7.62
17	A	1387	1363	1.28
18	A	1331	1308	1.37
19	A	1299	1276	0.90
20	A	1294	1272	2.82
21	A	1256	1234	1.36
22	A	1220	1199	2.10
23	A	1205	1185	1.64
24	A	1147	1127	1.01
25	A	1129	1109	1.66
26	A	1067	1048	1.39
27	A	1017	1000	2.75
28	A	1006	989	5.00
29	A	996	979	4.97
30	A	922	906	2.34
31	A	897	882	0.58
32	A	881	866	0.94
33	A	857	843	0.26
34	A	811	797	3.39
35	A	780	767	15.90
36	A	639	628	1.61
37	A	567	558	0.05
38	A	427	419	4.58
39	A	315	310	0.56
40	A	234	230	2.84
41	A	172	169	1.02
42	A	133	131	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.761	0.075	-0.003
H2	-0.332	2.192	-0.075
C3	0.033	1.165	-0.026
H4	-2.663	-0.447	0.865
H5	-2.617	-0.562	-0.896
H6	-2.693	1.039	-0.117
C7	-2.260	0.033	-0.041
H8	-0.027	-1.594	1.159
H9	-0.268	-1.992	-0.544
C10	0.068	-1.192	0.134
H11	1.739	-0.899	-1.230
H12	2.273	-1.246	0.424
C13	1.514	-0.717	-0.169
H14	1.878	1.059	1.103
H15	2.137	1.368	-0.616
C16	1.501	0.816	0.093

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1612	1.3482	2.1556	2.1567	2.1622	1.5000	2.1619	2.1929	1.5202	2.9496	3.3359	2.4148	3.0252	3.2314	2.3816
H2	2.1612		1.0910	3.6450	3.6723	2.6277	2.8946	3.9935	4.2110	3.4137	3.8958	4.3420	3.4470	2.7481	2.6581	2.2981
C3	1.3482	1.0910		3.2651	3.2808	2.7297	2.5565	3.0030	3.2133	2.3622	2.9361	3.3215	2.3997	2.1655	2.1946	1.5138
H4	2.1556	3.6450	3.2651		1.7660	1.7821	1.1023	2.8895	3.1798	2.9242	4.8958	5.0195	4.3122	4.7902	5.3412	4.4194
H5	2.1567	3.6723	3.2808	1.7660		1.7826	1.1020	3.4639	2.7732	2.9449	4.3816	5.1109	4.1982	5.1799	5.1386	4.4538
H6	2.1622	2.6277	2.7297	1.7821	1.7826		1.0979	3.9581	3.9054	3.5587	4.9630	5.4926	4.5593	4.7304	4.8661	4.2047
C7	1.5000	2.8946	2.5565	1.1023	1.1020	1.0979		3.0119	2.8851	2.6366	4.2741	4.7322	3.8501	4.4134	4.6303	3.8433
H8	2.1619	3.9935	3.0030	2.8895	3.4639	3.9581	3.0119		1.7655	1.1053	3.0508	2.4395	2.2155	3.2663	4.0750	3.0458
H9	2.1929	4.2110	3.2133	3.1798	2.7732	3.9054	2.8851	1.7655		1.1015	2.3851	2.8185	2.2228	4.0770	4.1322	3.3787
C10	1.5202	3.4137	2.3622	2.9242	2.9449	3.5587	2.6366	1.1053	1.1015		2.1759	2.2236	1.5516	3.0457	3.3751	2.4662
H11	2.9496	3.8958	2.9361	4.8958	4.3816	4.9630	4.2741	3.0508	2.3851	2.1759		1.7717	1.0995	3.0487	2.3824	2.1787
H12	3.3359	4.3420	3.3215	5.0195	5.1109	5.4926	4.7322	2.4395	2.8185	2.2236	1.7717		1.0979	2.4353	2.8165	2.2262
C13	2.4148	3.4470	2.3997	4.3122	4.1982	4.5593	3.8501	2.2155	2.2228	1.5516	1.0995	1.0979		2.2145	2.2216	1.5551
H14	3.0252	2.7481	2.1655	4.7902	5.1799	4.7304	4.4134	3.2663	4.0770	3.0457	3.0487	2.4353	2.2145		1.7654	1.1051
H15	3.2314	2.6581	2.1946	5.3412	5.1386	4.8661	4.6303	4.0750	4.1322	3.3751	2.3824	2.8165	2.2216	1.7654		1.1008
C16	2.3816	2.2981	1.5138	4.4194	4.4538	4.2047	3.8433	3.0458	3.3787	2.4662	2.1787	2.2262	1.5551	1.1051	1.1008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.408	C1	C3	C16	112.539
C1	C7	H4	110.925	C1	C7	H5	111.082
C1	C7	H6	111.752	C1	C10	H8	109.830
C1	C10	H9	112.553	C1	C10	C13	103.755
H2	C3	C16	122.996	C3	C1	C7	127.584
C3	C1	C10	110.669	C3	C16	C13	102.924
C3	C16	H14	110.596	C3	C16	H15	113.238
H4	C7	H5	106.505	H4	C7	H6	108.154
H5	C7	H6	108.219	C7	C1	C10	121.701
H8	C10	H9	106.207	H8	C10	C13	111.877
H9	C10	C13	112.722	C10	C13	H11	109.091
C10	C13	H12	113.131	C10	C13	C16	105.087
H11	C13	H12	107.348	H11	C13	C16	109.046
H12	C13	C16	113.052	C13	C16	H14	111.550
C13	C16	H15	112.398	H14	C16	H15	106.259

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

using model chemistry: B97D3/6-31+G**

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	0.451
2	H	0.123
3	C	-0.237
4	H	0.158
5	H	0.160
6	H	0.158
7	C	-0.543
8	H	0.154
9	H	0.147
10	C	-0.479
11	H	0.157
12	H	0.144
13	C	-0.307
14	H	0.154
15	H	0.147
16	C	-0.388

	x	y	z	Total
	-0.121	-0.231	0.091	0.276
CHELPG
AIM
ESP

	x	y	z
x	12.194	0.928	0.054
y	0.928	11.174	-0.110
z	0.054	-0.110	8.257

<r²>	171.999
(<r²>)^1/2	13.115

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

using model chemistry: B97D3/6-31+G**

States and conformations

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