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	hartrees
Energy at 0K	-234.327145
Energy at 298.15K	-234.337873
Nuclear repulsion energy	232.206214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3125	3082	19.65
2	A	3066	3024	20.16
3	A	3054	3012	35.85
4	A	3014	2973	21.80
5	A	3009	2967	55.24
6	A	2997	2956	30.44
7	A	2989	2948	9.57
8	A	2961	2921	41.65
9	A	2943	2902	53.93
10	A	2942	2902	35.84
11	A	1683	1660	2.25
12	A	1467	1447	0.77
13	A	1453	1433	5.93
14	A	1447	1427	0.74
15	A	1443	1423	0.49
16	A	1441	1422	7.74
17	A	1373	1355	1.29
18	A	1325	1307	1.21
19	A	1291	1273	0.56
20	A	1285	1267	2.16
21	A	1243	1226	1.74
22	A	1218	1201	1.80
23	A	1194	1178	1.16
24	A	1145	1130	0.70
25	A	1118	1103	1.30
26	A	1055	1041	0.14
27	A	1023	1009	2.49
28	A	1000	986	6.76
29	A	988	974	5.70
30	A	924	912	1.09
31	A	901	889	0.55
32	A	879	867	0.24
33	A	857	845	0.40
34	A	811	800	2.50
35	A	779	769	9.05
36	A	635	626	2.00
37	A	564	557	0.23
38	A	427	422	2.97
39	A	310	305	0.60
40	A	236	232	1.99
41	A	178	176	0.80
42	A	134	132	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.761	0.073	-0.002
H2	-0.334	2.193	-0.072
C3	0.033	1.163	-0.025
H4	-2.670	-0.447	0.866
H5	-2.623	-0.561	-0.898
H6	-2.693	1.044	-0.117
C7	-2.259	0.035	-0.041
H8	-0.029	-1.603	1.158
H9	-0.263	-1.996	-0.550
C10	0.070	-1.192	0.132
H11	1.745	-0.901	-1.228
H12	2.275	-1.244	0.430
C13	1.514	-0.715	-0.166
H14	1.882	1.068	1.101
H15	2.136	1.369	-0.622
C16	1.499	0.816	0.091

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1644	1.3489	2.1601	2.1610	2.1650	1.4983	2.1653	2.1973	1.5192	2.9545	3.3376	2.4132	3.0321	3.2345	2.3812
H2	2.1644		1.0950	3.6476	3.6754	2.6245	2.8922	4.0019	4.2173	3.4154	3.9026	4.3447	3.4472	2.7482	2.6616	2.2984
C3	1.3489	1.0950		3.2692	3.2846	2.7300	2.5541	3.0083	3.2160	2.3603	2.9387	3.3208	2.3958	2.1666	2.1964	1.5108
H4	2.1601	3.6476	3.2692		1.7680	1.7853	1.1058	2.8972	3.1932	2.9324	4.9069	5.0276	4.3173	4.8029	5.3490	4.4243
H5	2.1610	3.6754	3.2846	1.7680		1.7862	1.1056	3.4694	2.7838	2.9512	4.3931	5.1203	4.2040	5.1906	5.1433	4.4570
H6	2.1650	2.6245	2.7300	1.7853	1.7862		1.1012	3.9652	3.9157	3.5627	4.9706	5.4966	4.5600	4.7342	4.8665	4.2031
C7	1.4983	2.8922	2.5541	1.1058	1.1056	1.1012		3.0145	2.8923	2.6374	4.2789	4.7339	3.8483	4.4176	4.6297	3.8402
H8	2.1653	4.0019	3.0083	2.8972	3.4694	3.9652	3.0145		1.7676	1.1093	3.0548	2.4430	2.2182	3.2847	4.0857	3.0538
H9	2.1973	4.2173	3.2160	3.1932	2.7838	3.9157	2.8923	1.7676		1.1056	2.3857	2.8223	2.2241	4.0882	4.1341	3.3801
C10	1.5192	3.4154	2.3603	2.9324	2.9512	3.5627	2.6374	1.1093	1.1056		2.1771	2.2257	1.5497	3.0544	3.3765	2.4652
H11	2.9545	3.9026	2.9387	4.9069	4.3931	4.9706	4.2789	3.0548	2.3857	2.1771		1.7742	1.1031	3.0525	2.3821	2.1789
H12	3.3376	4.3447	3.3208	5.0276	5.1203	5.4966	4.7339	2.4430	2.8223	2.2257	1.7742		1.1015	2.4396	2.8211	2.2279
C13	2.4132	3.4472	2.3958	4.3173	4.2040	4.5600	3.8483	2.2182	2.2241	1.5497	1.1031	1.1015		2.2176	2.2230	1.5528
H14	3.0321	2.7482	2.1666	4.8029	5.1906	4.7342	4.4176	3.2847	4.0882	3.0544	3.0525	2.4396	2.2176		1.7675	1.1090
H15	3.2345	2.6616	2.1964	5.3490	5.1433	4.8665	4.6297	4.0857	4.1341	3.3765	2.3821	2.8211	2.2230	1.7675		1.1048
C16	2.3812	2.2984	1.5108	4.4243	4.4570	4.2031	3.8402	3.0538	3.3801	2.4652	2.1789	2.2279	1.5528	1.1090	1.1048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.335	C1	C3	C16	112.623
C1	C7	H4	111.199	C1	C7	H5	111.286
C1	C7	H6	111.884	C1	C10	H8	109.946
C1	C10	H9	112.730	C1	C10	C13	103.685
H2	C3	C16	122.980	C3	C1	C7	127.478
C3	C1	C10	110.620	C3	C16	C13	102.884
C3	C16	H14	110.647	C3	C16	H15	113.307
H4	C7	H5	106.162	H4	C7	H6	107.981
H5	C7	H6	108.083	C7	C1	C10	121.856
H8	C10	H9	105.891	H8	C10	C13	112.010
H9	C10	C13	112.707	C10	C13	H11	109.150
C10	C13	H12	113.088	C10	C13	C16	105.237
H11	C13	H12	107.170	H11	C13	C16	109.080
H12	C13	C16	113.043	C13	C16	H14	111.761
C13	C16	H15	112.446	H14	C16	H15	105.948

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

using model chemistry: PBEPBE/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	0.130
2	H	0.080
3	C	-0.111
4	H	0.129
5	H	0.129
6	H	0.126
7	C	-0.424
8	H	0.118
9	H	0.111
10	C	-0.262
11	H	0.124
12	H	0.108
13	C	-0.239
14	H	0.120
15	H	0.114
16	C	-0.253

	x	y	z	Total
	-0.161	-0.201	0.057	0.264
CHELPG
AIM
ESP

	x	y	z
x	11.076	0.868	0.095
y	0.868	9.986	-0.110
z	0.095	-0.110	6.989

<r²>	171.459
(<r²>)^1/2	13.094

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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