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	hartrees
Energy at 0K	-234.558779
Energy at 298.15K	-234.569871
Nuclear repulsion energy	234.904676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3225	3085	33.98
2	A	3200	3061	9.58
3	A	3123	2988	27.77
4	A	3121	2986	48.42
5	A	3081	2948	38.52
6	A	3076	2943	35.58
7	A	3047	2915	39.20
8	A	3044	2912	8.24
9	A	3013	2883	27.33
10	A	3013	2883	43.70
11	A	1709	1635	2.73
12	A	1527	1461	7.32
13	A	1523	1457	2.49
14	A	1517	1451	0.33
15	A	1509	1444	1.15
16	A	1433	1371	3.04
17	A	1390	1330	0.26
18	A	1390	1330	3.85
19	A	1350	1291	2.29
20	A	1320	1263	0.11
21	A	1307	1250	3.47
22	A	1249	1195	0.42
23	A	1182	1131	0.00
24	A	1161	1111	2.52
25	A	1142	1092	0.21
26	A	1121	1072	0.59
27	A	1079	1032	1.67
28	A	1003	959	9.02
29	A	995	951	0.38
30	A	971	929	0.00
31	A	940	900	4.92
32	A	936	895	4.04
33	A	914	875	0.02
34	A	832	796	1.28
35	A	778	744	0.45
36	A	708	677	33.87
37	A	573	548	3.84
38	A	422	404	1.18
39	A	395	378	0.09
40	A	313	299	0.10
41	A	254	243	0.01
42	A	104	100	0.07

Atom	x (Å)	y (Å)	z (Å)
H1	2.438	1.294	-0.134
C2	1.552	0.668	-0.062
H3	2.438	-1.294	-0.134
C4	1.552	-0.668	-0.062
H5	-0.143	1.616	-0.997
H6	0.043	2.060	0.696
C7	0.154	1.226	-0.010
H8	0.043	-2.060	0.696
H9	-0.142	-1.616	-0.997
C10	0.154	-1.226	-0.010
H11	-0.772	-0.000	1.488
C12	-0.705	-0.000	0.391
H13	-2.679	0.885	0.137
H14	-2.679	-0.885	0.137
H15	-2.092	-0.000	-1.281
C16	-2.116	-0.000	-0.184

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0873	2.5875	2.1535	2.7403	2.6482	2.2889	4.2038	3.9843	3.4033	3.8224	3.4391	5.1411	5.5686	4.8490	4.7349
C2	1.0873		2.1535	1.3353	2.1558	2.1886	1.5066	3.2079	2.9941	2.3545	2.8722	2.3967	4.2418	4.5118	3.9004	3.7307
H3	2.5875	2.1535		1.0873	3.9843	4.2038	3.4033	2.6482	2.7403	2.2889	3.8224	3.4390	5.5686	5.1411	4.8490	4.7349
C4	2.1535	1.3353	1.0873		2.9941	3.2079	2.3545	2.1886	2.1558	1.5066	2.8722	2.3967	4.5118	4.2419	3.9004	3.7307
H5	2.7403	2.1558	3.9843	2.9941		1.7596	1.1025	4.0514	3.2329	3.0234	3.0307	2.2037	2.8735	3.7387	2.5484	2.6778
H6	2.6482	2.1886	4.2038	3.2079	1.7596		1.0979	4.1194	4.0515	3.3621	2.3525	2.2122	3.0171	4.0488	3.5646	3.1107
C7	2.2889	1.5066	3.4033	2.3545	1.1025	1.0979		3.3621	3.0234	2.4515	2.1453	1.5491	2.8573	3.5359	2.8569	2.5856
H8	4.2038	3.2079	2.6482	2.1886	4.0514	4.1194	3.3621		1.7596	1.0979	2.3525	2.2122	4.0488	3.0171	3.5646	3.1107
H9	3.9843	2.9941	2.7403	2.1558	3.2329	4.0515	3.0234	1.7596		1.1025	3.0307	2.2037	3.7388	2.8736	2.5484	2.6778
C10	3.4033	2.3545	2.2889	1.5066	3.0234	3.3621	2.4515	1.0979	1.1025		2.1453	1.5491	3.5359	2.8573	2.8569	2.5856
H11	3.8224	2.8722	3.8224	2.8722	3.0307	2.3525	2.1453	2.3525	3.0307	2.1453		1.0989	2.4991	2.4991	3.0672	2.1449
C12	3.4391	2.3967	3.4390	2.3967	2.2037	2.2122	1.5491	2.2122	2.2037	1.5491	1.0989		2.1788	2.1788	2.1726	1.5241
H13	5.1411	4.2418	5.5686	4.5118	2.8735	3.0171	2.8573	4.0488	3.7388	3.5359	2.4991	2.1788		1.7696	1.7714	1.0967
H14	5.5686	4.5118	5.1411	4.2419	3.7387	4.0488	3.5359	3.0171	2.8736	2.8573	2.4991	2.1788	1.7696		1.7714	1.0967
H15	4.8490	3.9004	4.8490	3.9004	2.5484	3.5646	2.8569	3.5646	2.5484	2.8569	3.0672	2.1726	1.7714	1.7714		1.0975
C16	4.7349	3.7307	4.7349	3.7307	2.6778	3.1107	2.5856	3.1107	2.6778	2.5856	2.1449	1.5241	1.0967	1.0967	1.0975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.158	H1	C2	C7	123.050
C2	C4	H3	125.158	C2	C4	C10	111.741
C2	C7	H5	110.472	C2	C7	H6	113.415
C2	C7	C12	103.308	H3	C4	C10	123.050
C4	C2	C7	111.741	C4	C10	H8	113.413
C4	C10	H9	110.474	C4	C10	C12	103.308
H5	C7	H6	106.202	H5	C7	C12	111.299
H6	C7	C12	112.263	C7	C12	C10	104.602
C7	C12	H11	106.993	C7	C12	C16	114.561
H8	C10	H9	106.202	H8	C10	C12	112.262
H9	C10	C12	111.300	C10	C12	H11	106.993
C10	C12	C16	114.561	H11	C12	C16	108.630
C12	C16	H13	111.432	C12	C16	H14	111.432
C12	C16	H15	110.892	H13	C16	H14	107.564
H13	C16	H15	107.667	H14	C16	H15	107.667

All results from a given calculation for C₆H₁₀ (Cyclopentene, 4-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	ESP
1	H	0.152	0.139
2	C	-0.137	-0.222
3	H	0.152	0.139
4	C	-0.137	-0.222
5	H	0.166	0.059
6	H	0.165	0.035
7	C	-0.353	-0.063
8	H	0.165	0.035
9	H	0.166	0.059
10	C	-0.353	-0.063
11	H	0.164	0.017
12	C	-0.128	0.240
13	H	0.166	0.123
14	H	0.166	0.123
15	H	0.164	0.135
16	C	-0.517	-0.535

	x	y	z	Total
	-0.163	0.000	0.017	0.164
CHELPG
AIM
ESP	-0.161	0.000	-0.005	0.161

	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>	163.818
(<r²>)^1/2	12.799

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

using model chemistry: B3PW91/6-31G*

States and conformations

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