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	hartrees
Energy at 0K	-234.307535
Energy at 298.15K	-234.318434
Nuclear repulsion energy	233.471787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3141	3089	29.98
2	A	3115	3063	9.43
3	A	3052	3002	45.57
4	A	3051	3001	23.28
5	A	3045	2994	26.69
6	A	3004	2954	40.64
7	A	2983	2934	26.81
8	A	2975	2926	26.50
9	A	2946	2898	43.53
10	A	2911	2863	33.29
11	A	1649	1621	1.17
12	A	1482	1458	4.04
13	A	1480	1455	4.76
14	A	1476	1452	1.45
15	A	1460	1436	0.87
16	A	1384	1362	1.62
17	A	1358	1335	3.83
18	A	1310	1288	1.81
19	A	1297	1275	0.96
20	A	1284	1263	3.19
21	A	1265	1244	1.09
22	A	1199	1180	0.76
23	A	1175	1156	0.27
24	A	1120	1102	0.62
25	A	1094	1076	4.15
26	A	1082	1064	3.33
27	A	1050	1033	2.01
28	A	987	971	1.99
29	A	952	936	1.47
30	A	934	919	0.99
31	A	925	909	0.60
32	A	898	884	2.75
33	A	841	827	1.74
34	A	809	796	1.35
35	A	739	727	1.37
36	A	716	704	26.64
37	A	569	560	4.80
38	A	483	475	2.77
39	A	332	327	0.03
40	A	276	272	0.17
41	A	234	230	0.04
42	A	113	111	0.13

Atom	x (Å)	y (Å)	z (Å)
H1	-0.300	2.229	0.104
C2	0.100	1.209	0.092
H3	2.182	1.589	-0.385
C4	1.379	0.879	-0.162
H5	2.155	-0.840	0.904
H6	2.222	-1.030	-0.855
C7	1.609	-0.611	-0.035
H8	0.057	-2.068	0.629
H9	-0.118	-1.481	-1.040
C10	0.166	-1.180	-0.015
H11	-0.906	-0.036	1.524
C12	-0.753	-0.002	0.423
H13	-2.748	0.847	0.082
H14	-2.692	-0.933	0.011
H15	-2.042	0.035	-1.342
C16	-2.136	-0.013	-0.242

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0959	2.6097	2.1706	4.0109	4.2307	3.4250	4.3438	3.8871	3.4423	2.7411	2.2986	2.8117	3.9664	3.1528	2.9191
C2	1.0959		2.1698	1.3447	3.0136	3.2263	2.3676	3.3209	2.9268	2.3916	2.1479	1.5174	2.8713	3.5202	2.8322	2.5704
H3	2.6097	2.1698		1.0953	2.7501	2.6610	2.3004	4.3497	3.8922	3.4450	3.9781	3.4348	5.0081	5.5028	4.6015	4.6086
C4	2.1706	1.3447	1.0953		2.1664	2.1988	1.5132	3.3253	2.9300	2.3938	2.9834	2.3793	4.1346	4.4597	3.7158	3.6277
H5	4.0109	3.0136	2.7501	2.1664		1.7698	1.1097	2.4465	3.0593	2.2173	3.2259	3.0645	5.2506	4.9301	4.8399	4.5186
H6	4.2307	3.2263	2.6610	2.1988	1.7698		1.1057	2.8223	2.3904	2.2257	4.0534	3.3964	5.3947	4.9906	4.4214	4.5169
C7	3.4250	2.3676	2.3004	1.5132	1.1097	1.1057		2.2300	2.1800	1.5513	3.0148	2.4818	4.5966	4.3138	3.9314	3.7988
H8	4.3438	3.3209	4.3497	3.3253	2.4465	2.8223	2.2300		1.7783	1.1029	2.4202	2.2288	4.0827	3.0381	3.5657	3.1297
H9	3.8871	2.9268	3.8922	2.9300	3.0593	2.3904	2.1800	1.7783		1.1060	3.0469	2.1751	3.6876	2.8338	2.4678	2.6201
C10	3.4423	2.3916	3.4450	2.3938	2.2173	2.2257	1.5513	1.1029	1.1060		2.1966	1.5563	3.5510	2.8690	2.8479	2.5910
H11	2.7411	2.1479	3.9781	2.9834	3.2259	4.0534	3.0148	2.4202	3.0469	2.1966		1.1122	2.5001	2.5065	3.0832	2.1524
C12	2.2986	1.5174	3.4348	2.3793	3.0645	3.3964	2.4818	2.2288	2.1751	1.5563	1.1122		2.1953	2.1907	2.1857	1.5354
H13	2.8117	2.8713	5.0081	4.1346	5.2506	5.3947	4.5966	4.0827	3.6876	3.5510	2.5001	2.1953		1.7826	1.7853	1.1044
H14	3.9664	3.5202	5.5028	4.4597	4.9301	4.9906	4.3138	3.0381	2.8338	2.8690	2.5065	2.1907	1.7826		1.7863	1.1044
H15	3.1528	2.8322	4.6015	3.7158	4.8399	4.4214	3.9314	3.5657	2.4678	2.8479	3.0832	2.1857	1.7853	1.7863		1.1047
C16	2.9191	2.5704	4.6086	3.6277	4.5186	4.5169	3.7988	3.1297	2.6201	2.5910	2.1524	1.5354	1.1044	1.1044	1.1047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.273	H1	C2	C12	122.360
C2	C4	H3	125.246	C2	C4	C7	111.746
C2	C12	C10	102.163	C2	C12	H11	108.548
C2	C12	C16	114.702	H3	C4	C7	122.944
C4	C2	C12	112.325	C4	C7	H5	110.427
C4	C7	H6	113.278	C4	C7	C10	102.726
H5	C7	H6	106.037	H5	C7	C10	111.797
H6	C7	C10	112.714	C7	C10	H8	113.234
C7	C10	H9	109.098	C7	C10	C12	105.995
H8	C10	H9	107.238	H8	C10	C12	112.776
H9	C10	C12	108.387	C10	C12	H11	109.675
C10	C12	C16	113.869	H11	C12	C16	107.696
C12	C16	H13	111.487	C12	C16	H14	111.121
C12	C16	H15	110.708	H13	C16	H14	107.616
H13	C16	H15	107.828	H14	C16	H15	107.921

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

using model chemistry: PBEPBEultrafine/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
1	H	0.127
2	C	-0.097
3	H	0.130
4	C	-0.120
5	H	0.158
6	H	0.154
7	C	-0.336
8	H	0.146
9	H	0.154
10	C	-0.310
11	H	0.148
12	C	-0.133
13	H	0.154
14	H	0.156
15	H	0.158
16	C	-0.489

	x	y	z	Total
	-0.003	-0.144	0.122	0.188
CHELPG
AIM
ESP

	x	y	z
x	11.165	-0.347	-0.499
y	-0.347	9.099	-0.119
z	-0.499	-0.119	6.985

<r²>	166.011
(<r²>)^1/2	12.885

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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