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	hartrees
Energy at 0K	-234.510727
Energy at 298.15K	-234.521676
Nuclear repulsion energy	232.541362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3219	3083	21.01
2	A	3140	3007	24.36
3	A	3131	2999	44.99
4	A	3091	2961	29.92
5	A	3086	2955	58.12
6	A	3075	2945	27.15
7	A	3065	2935	12.83
8	A	3032	2904	52.08
9	A	3025	2897	54.49
10	A	3024	2896	37.48
11	A	1746	1672	2.48
12	A	1548	1483	2.04
13	A	1535	1470	7.89
14	A	1530	1465	2.43
15	A	1527	1463	1.00
16	A	1523	1459	11.80
17	A	1457	1395	4.08
18	A	1389	1330	2.90
19	A	1353	1296	3.79
20	A	1341	1285	1.57
21	A	1325	1269	1.17
22	A	1274	1220	1.51
23	A	1256	1203	0.98
24	A	1202	1151	0.98
25	A	1187	1137	0.93
26	A	1121	1074	0.12
27	A	1073	1027	2.75
28	A	1059	1014	7.67
29	A	1054	1009	6.79
30	A	962	922	1.83
31	A	937	897	0.55
32	A	924	885	1.23
33	A	891	854	0.21
34	A	854	818	7.31
35	A	821	786	9.99
36	A	681	652	2.93
37	A	594	569	0.14
38	A	448	429	4.58
39	A	325	312	0.62
40	A	242	232	2.77
41	A	176	168	0.70
42	A	119	114	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.761	0.074	-0.000
H2	-0.335	2.185	-0.064
C3	0.027	1.162	-0.019
H4	-2.662	-0.454	0.862
H5	-2.618	-0.548	-0.897
H6	-2.689	1.036	-0.100
C7	-2.257	0.033	-0.036
H8	-0.050	-1.638	1.115
H9	-0.250	-1.965	-0.603
C10	0.067	-1.195	0.113
H11	1.800	-0.933	-1.179
H12	2.247	-1.219	0.504
C13	1.520	-0.716	-0.141
H14	1.899	1.099	1.064
H15	2.107	1.353	-0.665
C16	1.496	0.823	0.077

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1549	1.3437	2.1531	2.1532	2.1565	1.4964	2.1635	2.1870	1.5194	2.9942	3.3131	2.4182	3.0432	3.2098	2.3791
H2	2.1549		1.0863	3.6386	3.6574	2.6197	2.8861	4.0111	4.1864	3.4087	3.9406	4.3105	3.4446	2.7279	2.6482	2.2864
C3	1.3437	1.0863		3.2588	3.2692	2.7198	2.5479	3.0222	3.1934	2.3611	2.9799	3.2975	2.4024	2.1638	2.1858	1.5105
H4	2.1531	3.6386	3.2588		1.7620	1.7740	1.0991	2.8787	3.2011	2.9251	4.9304	4.9813	4.3086	4.8227	5.3234	4.4197
H5	2.1532	3.6574	3.2692	1.7620		1.7746	1.0989	3.4388	2.7745	2.9399	4.4436	5.1065	4.2091	5.1920	5.0975	4.4435
H6	2.1565	2.6197	2.7198	1.7740	1.7746		1.0946	3.9482	3.8995	3.5517	5.0193	5.4601	4.5589	4.7336	4.8386	4.1935
C7	1.4964	2.8861	2.5479	1.0991	1.0989	1.0946		2.9972	2.8873	2.6318	4.3240	4.7055	3.8514	4.4294	4.6019	3.8363
H8	2.1635	4.0111	3.0222	2.8787	3.4388	3.9482	2.9972		1.7604	1.1017	3.0306	2.4139	2.2122	3.3610	4.0952	3.0860
H9	2.1870	4.1864	3.1934	3.2011	2.7745	3.8995	2.8873	1.7604		1.0985	2.3670	2.8318	2.2151	4.0975	4.0710	3.3591
C10	1.5194	3.4087	2.3611	2.9251	2.9399	3.5517	2.6318	1.1017	1.0985		2.1780	2.2153	1.5510	3.0862	3.3558	2.4727
H11	2.9942	3.9406	2.9799	4.9304	4.4436	5.0193	4.3240	3.0306	2.3670	2.1780		1.7645	1.0966	3.0280	2.3636	2.1800
H12	3.3131	4.3105	3.2975	4.9813	5.1065	5.4601	4.7055	2.4139	2.8318	2.2153	1.7645		1.0947	2.4102	2.8296	2.2173
C13	2.4182	3.4446	2.4024	4.3086	4.2091	4.5589	3.8514	2.2122	2.2151	1.5510	1.0966	1.0947		2.2116	2.2142	1.5545
H14	3.0432	2.7279	2.1638	4.8227	5.1920	4.7336	4.4294	3.3610	4.0975	3.0862	3.0280	2.4102	2.2116		1.7596	1.1014
H15	3.2098	2.6482	2.1858	5.3234	5.0975	4.8386	4.6019	4.0952	4.0710	3.3558	2.3636	2.8296	2.2142	1.7596		1.0979
C16	2.3791	2.2864	1.5105	4.4197	4.4435	4.1935	3.8363	3.0860	3.3591	2.4727	2.1800	2.2173	1.5545	1.1014	1.0979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.609	C1	C3	C16	112.801
C1	C7	H4	111.181	C1	C7	H5	111.204
C1	C7	H6	111.730	C1	C10	H8	110.238
C1	C10	H9	112.314	C1	C10	C13	103.916
H2	C3	C16	122.559	C3	C1	C7	127.477
C3	C1	C10	110.959	C3	C16	C13	103.217
C3	C16	H14	110.907	C3	C16	H15	112.904
H4	C7	H5	106.574	H4	C7	H6	107.931
H5	C7	H6	107.999	C7	C1	C10	121.536
H8	C10	H9	106.270	H8	C10	C13	111.892
H9	C10	C13	112.326	C10	C13	H11	109.505
C10	C13	H12	112.576	C10	C13	C16	105.546
H11	C13	H12	107.272	H11	C13	C16	109.422
H12	C13	C16	112.493	C13	C16	H14	111.624
C13	C16	H15	112.045	H14	C16	H15	106.278

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

using model chemistry: B3PW91/6-31G

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	0.102
2	H	0.143
3	C	-0.143
4	H	0.168
5	H	0.168
6	H	0.168
7	C	-0.537
8	H	0.163
9	H	0.158
10	C	-0.355
11	H	0.166
12	H	0.154
13	C	-0.322
14	H	0.163
15	H	0.159
16	C	-0.356

	x	y	z	Total
	-0.148	-0.221	0.055	0.271
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>	171.170
(<r²>)^1/2	13.083

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

using model chemistry: B3PW91/6-31G

States and conformations

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