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	hartrees
Energy at 0K	-234.319636
Energy at 298.15K	-234.330557
Nuclear repulsion energy	233.318701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3134	3116	23.86
2	A	3107	3089	7.36
3	A	3045	3028	22.03
4	A	3044	3027	36.30
5	A	3035	3017	26.35
6	A	2996	2978	35.10
7	A	2969	2952	29.09
8	A	2962	2944	26.56
9	A	2934	2917	42.35
10	A	2900	2883	32.81
11	A	1639	1629	1.61
12	A	1421	1413	3.66
13	A	1418	1410	4.97
14	A	1416	1408	2.46
15	A	1398	1390	1.15
16	A	1342	1335	1.17
17	A	1332	1325	3.81
18	A	1283	1275	1.38
19	A	1270	1262	1.06
20	A	1256	1248	2.98
21	A	1234	1226	0.95
22	A	1178	1171	0.64
23	A	1155	1148	0.26
24	A	1107	1100	0.89
25	A	1075	1069	4.91
26	A	1061	1055	2.52
27	A	1034	1028	2.89
28	A	980	974	2.29
29	A	937	932	2.13
30	A	926	921	0.99
31	A	921	915	0.32
32	A	893	888	2.80
33	A	838	833	2.39
34	A	801	796	1.18
35	A	736	732	1.38
36	A	711	707	25.13
37	A	565	562	4.31
38	A	481	478	2.63
39	A	333	331	0.03
40	A	280	278	0.15
41	A	234	233	0.02
42	A	120	119	0.11

Atom	x (Å)	y (Å)	z (Å)
H1	-0.299	2.235	0.095
C2	0.100	1.209	0.086
H3	2.190	1.591	-0.384
C4	1.383	0.877	-0.161
H5	2.142	-0.836	0.926
H6	2.237	-1.038	-0.837
C7	1.607	-0.613	-0.027
H8	0.048	-2.079	0.610
H9	-0.114	-1.465	-1.061
C10	0.165	-1.177	-0.024
H11	-0.895	-0.035	1.526
C12	-0.751	-0.003	0.418
H13	-2.752	0.849	0.100
H14	-2.696	-0.938	0.020
H15	-2.054	0.041	-1.340
C16	-2.139	-0.013	-0.234

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.1010	2.6147	2.1764	4.0097	4.2438	3.4291	4.3576	3.8811	3.4455	2.7486	2.3057	2.8176	3.9770	3.1556	2.9230
C2	1.1010		2.1755	1.3473	3.0092	3.2349	2.3670	3.3290	2.9175	2.3893	2.1475	1.5177	2.8751	3.5257	2.8356	2.5703
H3	2.6147	2.1755		1.1004	2.7581	2.6676	2.3073	4.3631	3.8863	3.4482	3.9759	3.4400	5.0207	5.5161	4.6185	4.6182
C4	2.1764	1.3473	1.1004		2.1662	2.2029	1.5127	3.3329	2.9213	2.3916	2.9776	2.3798	4.1432	4.4677	3.7286	3.6325
H5	4.0097	3.0092	2.7581	2.1662		1.7772	1.1153	2.4554	3.0713	2.2198	3.1979	3.0538	5.2420	4.9235	4.8494	4.5112
H6	4.2438	3.2349	2.6676	2.2029	1.7772		1.1106	2.8229	2.4000	2.2302	4.0500	3.4029	5.4163	5.0084	4.4537	4.5348
C7	3.4291	2.3670	2.3073	1.5127	1.1153	1.1106		2.2325	2.1812	1.5485	3.0015	2.4768	4.6002	4.3160	3.9448	3.7996
H8	4.3576	3.3290	4.3631	3.3329	2.4554	2.8229	2.2325		1.7870	1.1080	2.4302	2.2326	4.0835	3.0299	3.5656	3.1246
H9	3.8811	2.9175	3.8863	2.9213	3.0713	2.4000	2.1812	1.7870		1.1118	3.0580	2.1757	3.6973	2.8491	2.4725	2.6260
C10	3.4455	2.3893	3.4482	2.3916	2.2198	2.2302	1.5485	1.1080	1.1118		2.1984	1.5541	3.5546	2.8718	2.8535	2.5902
H11	2.7486	2.1475	3.9759	2.9776	3.1979	4.0500	3.0015	2.4302	3.0580	2.1984		1.1179	2.5030	2.5154	3.0930	2.1556
C12	2.3057	1.5177	3.4400	2.3798	3.0538	3.4029	2.4768	2.2326	2.1757	1.5541	1.1179		2.1979	2.1940	2.1889	1.5330
H13	2.8176	2.8751	5.0207	4.1432	5.2420	5.4163	4.6002	4.0835	3.6973	3.5546	2.5030	2.1979		1.7897	1.7933	1.1096
H14	3.9770	3.5257	5.5161	4.4677	4.9235	5.0084	4.3160	3.0299	2.8491	2.8718	2.5154	2.1940	1.7897		1.7941	1.1096
H15	3.1556	2.8356	4.6185	3.7286	4.8494	4.4537	3.9448	3.5656	2.4725	2.8535	3.0930	2.1889	1.7933	1.7941		1.1104
C16	2.9230	2.5703	4.6182	3.6325	4.5112	4.5348	3.7996	3.1246	2.6260	2.5902	2.1556	1.5330	1.1096	1.1096	1.1104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.167	H1	C2	C12	122.594
C2	C4	H3	125.131	C2	C4	C7	111.576
C2	C12	C10	102.114	C2	C12	H11	108.172
C2	C12	C16	114.815	H3	C4	C7	123.226
C4	C2	C12	112.189	C4	C7	H5	110.116
C4	C7	H6	113.336	C4	C7	C10	102.742
H5	C7	H6	105.955	H5	C7	C10	111.853
H6	C7	C10	112.971	C7	C10	H8	113.316
C7	C10	H9	109.044	C7	C10	C12	105.937
H8	C10	H9	107.230	H8	C10	C12	112.926
H9	C10	C12	108.258	C10	C12	H11	109.643
C10	C12	C16	114.082	H11	C12	C16	107.786
C12	C16	H13	111.549	C12	C16	H14	111.240
C12	C16	H15	110.785	H13	C16	H14	107.501
H13	C16	H15	107.762	H14	C16	H15	107.830

All results from a given calculation for C₆H₁₀ (Cyclopentene, 3-methyl-)

using model chemistry: PBEPBE/cc-pVDZ

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	-0.028
2	C	0.029
3	H	-0.024
4	C	-0.041
5	H	0.034
6	H	0.025
7	C	-0.006
8	H	0.012
9	H	0.022
10	C	0.007
11	H	0.015
12	C	-0.118
13	H	0.027
14	H	0.027
15	H	0.029
16	C	-0.011

	x	y	z	Total
	-0.011	-0.162	0.141	0.215
CHELPG
AIM
ESP

	x	y	z
x	11.925	-0.350	-0.435
y	-0.350	9.733	-0.104
z	-0.435	-0.104	7.523

<r²>	166.542
(<r²>)^1/2	12.905

All results from a given calculation for C6H10 (Cyclopentene, 3-methyl-)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for C₆H₁₀ (Cyclopentene, 3-methyl-)