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	hartrees
Energy at 0K	-233.038419
Energy at 298.15K	-233.049414
Nuclear repulsion energy	232.689015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3156	3127	25.44
2	A	3127	3098	5.34
3	A	3048	3021	46.53
4	A	3045	3017	19.81
5	A	3022	2995	19.21
6	A	3016	2989	24.42
7	A	2988	2961	6.00
8	A	2972	2945	25.88
9	A	2949	2922	17.19
10	A	2949	2922	31.61
11	A	1628	1613	1.31
12	A	1523	1509	8.75
13	A	1515	1501	3.70
14	A	1489	1476	1.59
15	A	1485	1472	3.23
16	A	1410	1398	5.74
17	A	1348	1336	0.34
18	A	1336	1324	5.15
19	A	1315	1303	0.09
20	A	1278	1266	3.75
21	A	1271	1260	6.96
22	A	1240	1229	0.88
23	A	1168	1157	0.70
24	A	1135	1125	4.13
25	A	1125	1115	0.06
26	A	1093	1083	0.07
27	A	1047	1038	0.76
28	A	976	967	7.05
29	A	954	945	1.11
30	A	941	933	0.01
31	A	925	916	6.22
32	A	899	891	4.82
33	A	886	878	0.16
34	A	803	796	1.92
35	A	771	764	0.75
36	A	686	680	45.05
37	A	569	564	6.73
38	A	411	408	1.85
39	A	382	378	0.12
40	A	317	314	0.23
41	A	256	254	0.04
42	A	87	87	0.06

Atom	x (Å)	y (Å)	z (Å)
H1	2.452	1.306	-0.155
C2	1.565	0.673	-0.072
H3	2.452	-1.306	-0.155
C4	1.565	-0.673	-0.072
H5	-0.165	1.618	-0.995
H6	0.054	2.073	0.723
C7	0.151	1.242	0.001
H8	0.054	-2.073	0.723
H9	-0.165	-1.618	-0.995
C10	0.151	-1.242	0.001
H11	-0.793	-0.000	1.521
C12	-0.717	0.000	0.417
H13	-2.695	0.895	0.105
H14	-2.695	-0.895	0.105
H15	-2.049	0.000	-1.307
C16	-2.125	-0.000	-0.203

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0925	2.6129	2.1708	2.7660	2.6659	2.3069	4.2356	4.0131	3.4369	3.8788	3.4747	5.1702	5.6041	4.8261	4.7598
C2	1.0925		2.1708	1.3467	2.1767	2.2079	1.5261	3.2340	3.0158	2.3820	2.9247	2.4290	4.2701	4.5435	3.8782	3.7534
H3	2.6129	2.1708		1.0925	4.0131	4.2356	3.4369	2.6659	2.7660	2.3069	3.8788	3.4747	5.6042	5.1702	4.8261	4.7598
C4	2.1708	1.3467	1.0925		3.0158	3.2340	2.3820	2.2079	2.1767	1.5261	2.9247	2.4290	4.5435	4.2701	3.8782	3.7534
H5	2.7660	2.1767	4.0131	3.0158		1.7905	1.1104	4.0769	3.2355	3.0447	3.0565	2.2171	2.8525	3.7318	2.5027	2.6618
H6	2.6659	2.2079	4.2356	3.2340	1.7905		1.1050	4.1462	4.0769	3.3941	2.3776	2.2327	3.0543	4.0924	3.5830	3.1469
C7	2.3069	1.5261	3.4369	2.3820	1.1104	1.1050		3.3941	3.0447	2.4840	2.1783	1.5712	2.8694	3.5607	2.8447	2.6008
H8	4.2356	3.2340	2.6659	2.2079	4.0769	4.1462	3.3941		1.7905	1.1050	2.3776	2.2327	4.0924	3.0543	3.5830	3.1469
H9	4.0131	3.0158	2.7660	2.1767	3.2355	4.0769	3.0447	1.7905		1.1104	3.0565	2.2171	3.7318	2.8525	2.5027	2.6618
C10	3.4369	2.3820	2.3069	1.5261	3.0447	3.3941	2.4840	1.1050	1.1104		2.1783	1.5712	3.5607	2.8694	2.8447	2.6008
H11	3.8788	2.9247	3.8788	2.9247	3.0565	2.3776	2.1783	2.3776	3.0565	2.1783		1.1066	2.5342	2.5342	3.0938	2.1787
C12	3.4747	2.4290	3.4747	2.4290	2.2171	2.2327	1.5712	2.2327	2.2171	1.5712	1.1066		2.1938	2.1938	2.1785	1.5388
H13	5.1702	4.2701	5.6042	4.5435	2.8525	3.0543	2.8694	4.0924	3.7318	3.5607	2.5342	2.1938		1.7895	1.7922	1.1052
H14	5.6041	4.5435	5.1702	4.2701	3.7318	4.0924	3.5607	3.0543	2.8525	2.8694	2.5342	2.1938	1.7895		1.7922	1.1052
H15	4.8261	3.8782	4.8261	3.8782	2.5027	3.5830	2.8447	3.5830	2.5027	2.8447	3.0938	2.1785	1.7922	1.7922		1.1057
C16	4.7598	3.7534	4.7598	3.7534	2.6618	3.1469	2.6008	3.1469	2.6618	2.6008	2.1787	1.5388	1.1052	1.1052	1.1057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.416	H1	C2	C7	122.662
C2	C4	H3	125.415	C2	C4	C10	111.878
C2	C7	H5	110.303	C2	C7	H6	113.132
C2	C7	C12	103.293	H3	C4	C10	122.662
C4	C2	C7	111.878	C4	C10	H8	113.132
C4	C10	H9	110.304	C4	C10	C12	103.293
H5	C7	H6	107.841	H5	C7	C12	110.357
H6	C7	C12	111.901	C7	C12	C10	104.458
C7	C12	H11	107.603	C7	C12	C16	113.491
H8	C10	H9	107.841	H8	C10	C12	111.900
H9	C10	C12	110.357	C10	C12	H11	107.603
C10	C12	C16	113.490	H11	C12	C16	109.813
C12	C16	H13	111.081	C12	C16	H14	111.081
C12	C16	H15	109.845	H13	C16	H14	108.112
H13	C16	H15	108.315	H14	C16	H15	108.315

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

using model chemistry: PBEPBE/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	0.185
2	C	-0.172
3	H	0.185
4	C	-0.172
5	H	0.212
6	H	0.206
7	C	-0.425
8	H	0.206
9	H	0.212
10	C	-0.425
11	H	0.215
12	C	-0.238
13	H	0.200
14	H	0.200
15	H	0.199
16	C	-0.585

	x	y	z	Total
	-0.228	0.000	-0.018	0.228
CHELPG
AIM
ESP

	x	y	z
x	9.280	0.000	-0.077
y	0.000	9.756	0.000
z	-0.077	0.000	6.304

<r²>	166.218
(<r²>)^1/2	12.893

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

using model chemistry: PBEPBE/3-21G

States and conformations

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