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	hartrees
Energy at 0K	-232.058250
Energy at 298.15K	-232.069071
Nuclear repulsion energy	233.410050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3140	3083	8.07
2	A	3076	3020	18.23
3	A	3068	3013	10.11
4	A	3029	2975	27.00
5	A	3020	2966	17.91
6	A	3017	2963	9.54
7	A	3007	2953	5.81
8	A	2963	2910	30.90
9	A	2959	2906	25.14
10	A	2957	2904	15.33
11	A	1705	1674	3.03
12	A	1487	1460	3.70
13	A	1485	1458	14.84
14	A	1478	1452	15.06
15	A	1469	1443	3.38
16	A	1465	1439	5.63
17	A	1395	1370	12.05
18	A	1332	1308	4.41
19	A	1306	1282	1.52
20	A	1289	1266	8.83
21	A	1268	1246	2.84
22	A	1236	1214	2.00
23	A	1225	1203	0.82
24	A	1164	1143	2.78
25	A	1150	1129	0.11
26	A	1074	1055	1.93
27	A	1041	1023	1.60
28	A	1023	1005	11.92
29	A	1008	990	8.64
30	A	937	920	1.89
31	A	913	897	1.51
32	A	894	878	0.21
33	A	876	860	0.56
34	A	824	809	0.71
35	A	796	781	17.12
36	A	645	634	3.90
37	A	578	568	0.62
38	A	425	417	5.41
39	A	309	304	0.73
40	A	238	233	3.55
41	A	181	178	1.39
42	A	143	141	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.755	0.080	-0.004
H2	-0.325	2.193	-0.081
C3	0.035	1.161	-0.028
H4	-2.639	-0.443	0.873
H5	-2.589	-0.574	-0.900
H6	-2.672	1.044	-0.130
C7	-2.237	0.033	-0.043
H8	-0.019	-1.559	1.186
H9	-0.284	-1.991	-0.528
C10	0.063	-1.184	0.144
H11	1.684	-0.874	-1.260
H12	2.269	-1.256	0.391
C13	1.498	-0.716	-0.182
H14	1.854	1.024	1.127
H15	2.141	1.360	-0.603
C16	1.493	0.806	0.100

	C1	H2	C3	H4	H5	H6	C7	H8	H9	C10	H11	H12	C13	H14	H15	C16
C1		2.1576	1.3395	2.1429	2.1436	2.1497	1.4831	2.1550	2.1874	1.5130	2.9045	3.3293	2.3958	2.9962	3.2226	2.3646
H2	2.1576		1.0939	3.6345	3.6677	2.6136	2.8841	3.9719	4.2077	3.4065	3.8510	4.3410	3.4344	2.7522	2.6549	2.2941
C3	1.3395	1.0939		3.2457	3.2648	2.7117	2.5364	2.9793	3.2076	2.3518	2.8947	3.3178	2.3850	2.1589	2.1923	1.5062
H4	2.1429	3.6345	3.2457		1.7784	1.7931	1.1082	2.8656	3.1476	2.8958	4.8401	4.9985	4.2781	4.7335	5.3178	4.3853
H5	2.1436	3.6677	3.2648	1.7784		1.7941	1.1078	3.4538	2.7312	2.9152	4.2988	5.0727	4.1517	5.1386	5.1191	4.4236
H6	2.1497	2.6136	2.7117	1.7931	1.7941		1.1035	3.9430	3.8824	3.5387	4.8921	5.4750	4.5264	4.6976	4.8469	4.1784
C7	1.4831	2.8841	2.5364	1.1082	1.1078	1.1035		2.9948	2.8544	2.6095	4.2044	4.7068	3.8116	4.3688	4.6086	3.8117
H8	2.1550	3.9719	2.9793	2.8656	3.4538	3.9430	2.9948		1.7875	1.1105	3.0584	2.4411	2.2097	3.1911	4.0481	3.0095
H9	2.1874	4.2077	3.2076	3.1476	2.7312	3.8824	2.8544	1.7875		1.1061	2.3786	2.8111	2.2177	4.0496	4.1371	3.3724
C10	1.5130	3.4065	2.3518	2.8958	2.9152	3.5387	2.6095	1.1105	1.1061		2.1667	2.2205	1.5435	3.0079	3.3685	2.4504
H11	2.9045	3.8510	2.8947	4.8401	4.2988	4.8921	4.2044	3.0584	2.3786	2.1667		1.7924	1.1048	3.0539	2.3727	2.1693
H12	3.3293	4.3410	3.3178	4.9985	5.0727	5.4750	4.7068	2.4411	2.8111	2.2205	1.7924		1.1021	2.4312	2.8010	2.2217
C13	2.3958	3.4344	2.3850	4.2781	4.1517	4.5264	3.8116	2.2097	2.2177	1.5435	1.1048	1.1021		2.2067	2.2140	1.5479
H14	2.9962	2.7522	2.1589	4.7335	5.1386	4.6976	4.3688	3.1911	4.0496	3.0079	3.0539	2.4312	2.2067		1.7853	1.1102
H15	3.2226	2.6549	2.1923	5.3178	5.1191	4.8469	4.6086	4.0481	4.1371	3.3685	2.3727	2.8010	2.2140	1.7853		1.1051
C16	2.3646	2.2941	1.5062	4.3853	4.4236	4.1784	3.8117	3.0095	3.3724	2.4504	2.1693	2.2217	1.5479	1.1102	1.1051

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	H2	124.607	C1	C3	C16	112.259
C1	C7	H4	110.740	C1	C7	H5	110.820
C1	C7	H6	111.579	C1	C10	H8	109.503
C1	C10	H9	112.335	C1	C10	C13	103.224
H2	C3	C16	123.065	C3	C1	C7	127.878
C3	C1	C10	110.923	C3	C16	C13	102.683
C3	C16	H14	110.289	C3	C16	H15	113.287
H4	C7	H5	106.745	H4	C7	H6	108.336
H5	C7	H6	108.453	C7	C1	C10	121.136
H8	C10	H9	107.493	H8	C10	C13	111.697
H9	C10	C13	112.601	C10	C13	H11	108.670
C10	C13	H12	113.080	C10	C13	C16	104.871
H11	C13	H12	108.620	H11	C13	C16	108.570
H12	C13	C16	112.857	C13	C16	H14	111.169
C13	C16	H15	112.055	H14	C16	H15	107.390

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

using model chemistry: LSDA/3-21G*

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	0.077
2	H	0.183
3	C	-0.174
4	H	0.225
5	H	0.225
6	H	0.221
7	C	-0.699
8	H	0.220
9	H	0.212
10	C	-0.463
11	H	0.225
12	H	0.208
13	C	-0.426
14	H	0.221
15	H	0.215
16	C	-0.470

	x	y	z	Total
	-0.191	-0.224	0.089	0.307
CHELPG
AIM
ESP

	x	y	z
x	10.186	0.891	0.114
y	0.891	9.245	-0.125
z	0.114	-0.125	6.448

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G*

States and conformations

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