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	hartrees
Energy at 0K	-233.230620
Energy at 298.15K	-233.241760
Nuclear repulsion energy	234.686800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3249	3108	22.74
2	A	3219	3080	4.41
3	A	3135	2999	50.95
4	A	3130	2995	19.50
5	A	3117	2982	11.68
6	A	3112	2977	23.70
7	A	3082	2948	5.79
8	A	3057	2924	25.79
9	A	3041	2910	29.07
10	A	3041	2909	16.47
11	A	1694	1620	1.01
12	A	1562	1494	9.73
13	A	1554	1487	4.05
14	A	1532	1466	1.86
15	A	1525	1459	3.49
16	A	1452	1389	7.12
17	A	1392	1331	0.60
18	A	1376	1317	5.53
19	A	1358	1299	0.10
20	A	1318	1261	4.17
21	A	1313	1256	7.66
22	A	1277	1222	0.73
23	A	1202	1150	0.86
24	A	1172	1122	3.89
25	A	1162	1112	0.10
26	A	1125	1076	0.24
27	A	1079	1032	1.02
28	A	1004	961	6.66
29	A	996	953	0.39
30	A	979	937	1.58
31	A	952	911	6.99
32	A	923	883	4.69
33	A	911	871	0.02
34	A	829	793	2.40
35	A	792	757	0.80
36	A	719	688	48.35
37	A	579	553	5.33
38	A	415	397	1.51
39	A	393	376	0.10
40	A	318	305	0.18
41	A	254	243	0.03
42	A	95	90	0.04

Atom	x (Å)	y (Å)	z (Å)
H1	2.435	1.294	-0.126
C2	1.556	0.667	-0.061
H3	2.435	-1.294	-0.126
C4	1.556	-0.667	-0.061
H5	-0.155	1.576	-1.014
H6	0.039	2.066	0.681
C7	0.148	1.229	-0.016
H8	0.040	-2.066	0.681
H9	-0.155	-1.576	-1.014
C10	0.148	-1.229	-0.016
H11	-0.764	-0.000	1.506
C12	-0.707	-0.000	0.412
H13	-2.674	0.886	0.127
H14	-2.674	-0.886	0.127
H15	-2.051	-0.000	-1.280
C16	-2.113	-0.000	-0.186

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0822	2.5885	2.1500	2.7529	2.6430	2.2908	4.2048	3.9672	3.4077	3.8177	3.4403	5.1318	5.5610	4.8092	4.7292
C2	1.0822		2.1500	1.3333	2.1595	2.1927	1.5169	3.2120	2.9777	2.3621	2.8782	2.4057	4.2400	4.5101	3.8648	3.7311
H3	2.5885	2.1500		1.0822	3.9672	4.2049	3.4077	2.6429	2.7529	2.2908	3.8177	3.4403	5.5610	5.1318	4.8092	4.7292
C4	2.1500	1.3333	1.0822		2.9777	3.2120	2.3621	2.1926	2.1596	1.5169	2.8781	2.4057	4.5101	4.2400	3.8648	3.7311
H5	2.7529	2.1595	3.9672	2.9777		1.7749	1.0994	4.0219	3.1524	2.9933	3.0343	2.1959	2.8499	3.7028	2.4794	2.6463
H6	2.6430	2.1927	4.2049	3.2120	1.7749		1.0940	4.1320	4.0220	3.3700	2.3656	2.2130	3.0105	4.0482	3.5328	3.1071
C7	2.2908	1.5169	3.4077	2.3621	1.0994	1.0940		3.3700	2.9933	2.4588	2.1587	1.5572	2.8465	3.5301	2.8182	2.5793
H8	4.2048	3.2120	2.6429	2.1926	4.0219	4.1320	3.3700		1.7749	1.0940	2.3655	2.2130	4.0482	3.0105	3.5328	3.1071
H9	3.9672	2.9777	2.7529	2.1596	3.1524	4.0220	2.9933	1.7749		1.0994	3.0343	2.1960	3.7028	2.8500	2.4794	2.6463
C10	3.4077	2.3621	2.2908	1.5169	2.9933	3.3700	2.4588	1.0940	1.0994		2.1587	1.5572	3.5301	2.8465	2.8182	2.5793
H11	3.8177	2.8782	3.8177	2.8781	3.0343	2.3656	2.1587	2.3655	3.0343	2.1587		1.0957	2.5173	2.5173	3.0685	2.1641
C12	3.4403	2.4057	3.4403	2.4057	2.1959	2.2130	1.5572	2.2130	2.1960	1.5572	1.0957		2.1767	2.1767	2.1606	1.5283
H13	5.1318	4.2400	5.5610	4.5101	2.8499	3.0105	2.8465	4.0482	3.7028	3.5301	2.5173	2.1767		1.7728	1.7755	1.0947
H14	5.5610	4.5101	5.1318	4.2400	3.7028	4.0482	3.5301	3.0105	2.8500	2.8465	2.5173	2.1767	1.7728		1.7755	1.0947
H15	4.8092	3.8648	4.8092	3.8648	2.4794	3.5328	2.8182	3.5328	2.4794	2.8182	3.0685	2.1606	1.7755	1.7755		1.0953
C16	4.7292	3.7311	4.7292	3.7311	2.6463	3.1071	2.5793	3.1071	2.6463	2.5793	2.1641	1.5283	1.0947	1.0947	1.0953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.444	H1	C2	C7	122.737
C2	C4	H3	125.444	C2	C4	C10	111.776
C2	C7	H5	110.238	C2	C7	H6	113.242
C2	C7	C12	102.987	H3	C4	C10	122.736
C4	C2	C7	111.775	C4	C10	H8	113.240
C4	C10	H9	110.241	C4	C10	C12	102.986
H5	C7	H6	108.034	H5	C7	C12	110.313
H6	C7	C12	111.990	C7	C12	C10	104.277
C7	C12	H11	107.649	C7	C12	C16	113.422
H8	C10	H9	108.034	H8	C10	C12	111.988
H9	C10	C12	110.314	C10	C12	H11	107.649
C10	C12	C16	113.422	H11	C12	C16	110.033
C12	C16	H13	111.090	C12	C16	H14	111.090
C12	C16	H15	109.775	H13	C16	H14	108.131
H13	C16	H15	108.332	H14	C16	H15	108.332

All results from a given calculation for C₆H₁₀ (Cyclopentene, 4-methyl-)

using model chemistry: B1B95/3-21G

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	H	0.198
2	C	-0.188
3	H	0.198
4	C	-0.188
5	H	0.217
6	H	0.212
7	C	-0.431
8	H	0.212
9	H	0.217
10	C	-0.431
11	H	0.224
12	C	-0.267
13	H	0.204
14	H	0.204
15	H	0.201
16	C	-0.584

	x	y	z	Total
	-0.204	0.000	-0.020	0.205
CHELPG
AIM
ESP

	x	y	z
x	8.963	0.000	-0.050
y	0.000	9.530	0.000
z	-0.050	0.000	6.169

<r²>	163.806
(<r²>)^1/2	12.799

All results from a given calculation for C6H10 (Cyclopentene, 4-methyl-)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 4-methyl-)