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	hartrees
Energy at 0K	-234.578271
Energy at 298.15K	-234.589159
Nuclear repulsion energy	233.406899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3201	3068	20.28
2	A	3138	3007	20.81
3	A	3126	2996	39.23
4	A	3090	2962	23.96
5	A	3082	2954	56.43
6	A	3072	2944	29.20
7	A	3064	2936	9.78
8	A	3034	2908	44.18
9	A	3021	2896	52.17
10	A	3019	2893	39.28
11	A	1742	1670	2.62
12	A	1515	1452	0.83
13	A	1497	1434	6.19
14	A	1493	1431	0.79
15	A	1487	1426	0.22
16	A	1486	1424	8.73
17	A	1420	1361	1.72
18	A	1370	1313	1.41
19	A	1338	1282	0.81
20	A	1331	1275	2.13
21	A	1286	1232	1.67
22	A	1257	1204	1.25
23	A	1235	1183	1.22
24	A	1181	1132	0.83
25	A	1157	1109	1.28
26	A	1089	1044	0.26
27	A	1052	1009	2.42
28	A	1030	987	6.55
29	A	1023	980	5.96
30	A	950	911	1.31
31	A	926	887	0.64
32	A	906	868	0.31
33	A	882	845	0.40
34	A	838	803	4.46
35	A	806	772	8.32
36	A	653	626	1.94
37	A	580	555	0.17
38	A	441	423	3.31
39	A	318	305	0.62
40	A	242	232	2.12
41	A	179	172	0.68
42	A	137	131	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.757	0.073	-0.002
H2	-0.336	2.179	-0.072
C3	0.029	1.156	-0.024
H4	-2.656	-0.447	0.859
H5	-2.608	-0.556	-0.895
H6	-2.681	1.035	-0.114
C7	-2.250	0.033	-0.041
H8	-0.028	-1.597	1.147
H9	-0.257	-1.983	-0.551
C10	0.071	-1.187	0.130
H11	1.742	-0.897	-1.217
H12	2.263	-1.233	0.432
C13	1.509	-0.710	-0.163
H14	1.873	1.068	1.090
H15	2.119	1.363	-0.624
C16	1.491	0.814	0.089

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1490	1.3385	2.1489	2.1498	2.1543	1.4940	2.1540	2.1854	1.5133	2.9428	3.3183	2.4022	3.0159	3.2127	2.3688
H2	2.1490		1.0873	3.6254	3.6500	2.6095	2.8756	3.9798	4.1898	3.3965	3.8846	4.3184	3.4288	2.7317	2.6453	2.2860
C3	1.3385	1.0873		3.2492	3.2629	2.7143	2.5406	2.9921	3.1953	2.3484	2.9277	3.3021	2.3853	2.1556	2.1842	1.5055
H4	2.1489	3.6254	3.2492		1.7581	1.7731	1.0979	2.8833	3.1785	2.9183	4.8840	4.9994	4.2962	4.7808	5.3173	4.4025
H5	2.1498	3.6500	3.2629	1.7581		1.7738	1.0976	3.4518	2.7720	2.9378	4.3756	5.0940	4.1844	5.1630	5.1092	4.4331
H6	2.1543	2.6095	2.7143	1.7731	1.7738		1.0935	3.9444	3.8954	3.5458	4.9508	5.4666	4.5387	4.7103	4.8381	4.1828
C7	1.4940	2.8756	2.5406	1.0979	1.0976	1.0935		3.0009	2.8799	2.6276	4.2638	4.7105	3.8329	4.3982	4.6037	3.8238
H8	2.1540	3.9798	2.9921	2.8833	3.4518	3.9444	3.0009		1.7565	1.1009	3.0349	2.4270	2.2055	3.2734	4.0628	3.0400
H9	2.1854	4.1898	3.1953	3.1785	2.7720	3.8954	2.8799	1.7565		1.0976	2.3699	2.8066	2.2105	4.0658	4.1037	3.3597
C10	1.5133	3.3965	2.3484	2.9183	2.9378	3.5458	2.6276	1.1009	1.0976		2.1656	2.2127	1.5425	3.0413	3.3562	2.4543
H11	2.9428	3.8846	2.9277	4.8840	4.3756	4.9508	4.2638	3.0349	2.3699	2.1656		1.7617	1.0954	3.0327	2.3665	2.1673
H12	3.3183	4.3184	3.3021	4.9994	5.0940	5.4666	4.7105	2.4270	2.8066	2.2127	1.7617		1.0940	2.4243	2.8062	2.2148
C13	2.4022	3.4288	2.3853	4.2962	4.1844	4.5387	3.8329	2.2055	2.2105	1.5425	1.0954	1.0940		2.2051	2.2094	1.5453
H14	3.0159	2.7317	2.1556	4.7808	5.1630	4.7103	4.3982	3.2734	4.0658	3.0413	3.0327	2.4243	2.2051		1.7565	1.1007
H15	3.2127	2.6453	2.1842	5.3173	5.1092	4.8381	4.6037	4.0628	4.1037	3.3562	2.3665	2.8062	2.2094	1.7565		1.0970
C16	2.3688	2.2860	1.5055	4.4025	4.4331	4.1828	3.8238	3.0400	3.3597	2.4543	2.1673	2.2148	1.5453	1.1007	1.0970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.406	C1	C3	C16	112.670
C1	C7	H4	111.093	C1	C7	H5	111.186
C1	C7	H6	111.802	C1	C10	H8	109.960
C1	C10	H9	112.682	C1	C10	C13	103.640
H2	C3	C16	122.870	C3	C1	C7	127.442
C3	C1	C10	110.720	C3	C16	C13	102.858
C3	C16	H14	110.644	C3	C16	H15	113.191
H4	C7	H5	106.413	H4	C7	H6	108.018
H5	C7	H6	108.106	C7	C1	C10	121.795
H8	C10	H9	106.061	H8	C10	C13	112.005
H9	C10	C13	112.615	C10	C13	H11	109.189
C10	C13	H12	113.020	C10	C13	C16	105.279
H11	C13	H12	107.160	H11	C13	C16	109.130
H12	C13	C16	112.996	C13	C16	H14	111.797
C13	C16	H15	112.374	H14	C16	H15	106.120

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	0.107
2	H	0.102
3	C	-0.134
4	H	0.137
5	H	0.137
6	H	0.135
7	C	-0.437
8	H	0.129
9	H	0.123
10	C	-0.277
11	H	0.134
12	H	0.120
13	C	-0.260
14	H	0.130
15	H	0.125
16	C	-0.271

	x	y	z	Total
	-0.157	-0.197	0.055	0.258
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>	169.892
(<r²>)^1/2	13.034

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-)