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	hartrees
Energy at 0K	-234.307508
Energy at 298.15K	-234.318431
Nuclear repulsion energy	233.675350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3145	3100	34.78
2	A	3120	3075	9.47
3	A	3051	3007	24.80
4	A	3047	3003	44.33
5	A	3003	2960	35.36
6	A	2998	2955	36.78
7	A	2975	2932	36.42
8	A	2966	2923	10.38
9	A	2931	2889	27.00
10	A	2930	2888	42.32
11	A	1651	1628	3.32
12	A	1484	1463	6.92
13	A	1479	1458	2.34
14	A	1470	1449	0.46
15	A	1463	1442	0.99
16	A	1387	1367	2.34
17	A	1346	1327	0.09
18	A	1341	1322	4.55
19	A	1304	1285	1.89
20	A	1277	1259	0.14
21	A	1261	1243	3.39
22	A	1210	1193	0.40
23	A	1143	1127	0.03
24	A	1123	1107	2.44
25	A	1107	1091	0.23
26	A	1089	1073	0.35
27	A	1047	1032	1.29
28	A	975	961	9.23
29	A	971	957	0.24
30	A	926	913	0.02
31	A	912	899	4.55
32	A	911	898	3.85
33	A	887	874	0.01
34	A	810	798	1.31
35	A	756	746	0.41
36	A	681	672	30.79
37	A	558	550	3.93
38	A	411	405	1.27
39	A	384	379	0.13
40	A	306	301	0.10
41	A	249	246	0.02
42	A	99	98	0.08

Atom	x (Å)	y (Å)	z (Å)
H1	2.451	1.304	-0.138
C2	1.559	0.673	-0.062
H3	2.451	-1.304	-0.138
C4	1.559	-0.673	-0.062
H5	-0.146	1.624	-1.004
H6	0.042	2.074	0.699
C7	0.155	1.231	-0.009
H8	0.042	-2.074	0.699
H9	-0.146	-1.624	-1.004
C10	0.155	-1.231	-0.009
H11	-0.777	-0.000	1.499
C12	-0.708	-0.000	0.394
H13	-2.693	0.891	0.135
H14	-2.693	-0.891	0.135
H15	-2.097	-0.000	-1.290
C16	-2.125	-0.000	-0.185

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	C12	H13	H14	H15	C16
H1		1.0952	2.6078	2.1698	2.7558	2.6639	2.3004	4.2321	4.0081	3.4227	3.8462	3.4587	5.1673	5.5990	4.8689	4.7575
C2	1.0952		2.1698	1.3454	2.1674	2.2009	1.5119	3.2286	3.0113	2.3663	2.8885	2.4085	4.2619	4.5345	3.9145	3.7463
H3	2.6078	2.1698		1.0952	4.0081	4.2321	3.4227	2.6639	2.7558	2.3004	3.8462	3.4587	5.5990	5.1673	4.8689	4.7575
C4	2.1698	1.3454	1.0952		3.0113	3.2286	2.3663	2.2009	2.1674	1.5119	2.8885	2.4085	4.5345	4.2619	3.9145	3.7463
H5	2.7558	2.1674	4.0081	3.0113		1.7713	1.1112	4.0753	3.2482	3.0389	3.0494	2.2153	2.8848	3.7564	2.5544	2.6875
H6	2.6639	2.2009	4.2321	3.2286	1.7713		1.1060	4.1471	4.0753	3.3819	2.3682	2.2261	3.0322	4.0724	3.5820	3.1264
C7	2.3004	1.5119	3.4227	2.3663	1.1112	1.1060		3.3819	3.0389	2.4630	2.1580	1.5569	2.8718	3.5548	2.8686	2.5969
H8	4.2321	3.2286	2.6639	2.2009	4.0753	4.1471	3.3819		1.7713	1.1060	2.3682	2.2261	4.0724	3.0322	3.5820	3.1264
H9	4.0081	3.0113	2.7558	2.1674	3.2482	4.0753	3.0389	1.7713		1.1112	3.0494	2.2153	3.7564	2.8848	2.5545	2.6875
C10	3.4227	2.3663	2.3004	1.5119	3.0389	3.3819	2.4630	1.1060	1.1112		2.1580	1.5570	3.5548	2.8718	2.8686	2.5969
H11	3.8462	2.8885	3.8462	2.8885	3.0494	2.3682	2.1580	2.3682	3.0494	2.1580		1.1071	2.5151	2.5151	3.0858	2.1571
C12	3.4587	2.4085	3.4587	2.4085	2.2153	2.2261	1.5569	2.2261	2.2153	1.5570	1.1071		2.1907	2.1907	2.1826	1.5299
H13	5.1673	4.2619	5.5990	4.5345	2.8848	3.0322	2.8718	4.0724	3.7564	3.5548	2.5151	2.1907		1.7821	1.7838	1.1044
H14	5.5990	4.5345	5.1673	4.2619	3.7564	4.0724	3.5548	3.0322	2.8848	2.8718	2.5151	2.1907	1.7821		1.7838	1.1044
H15	4.8689	3.9145	4.8689	3.9145	2.5544	3.5820	2.8686	3.5820	2.5545	2.8686	3.0858	2.1826	1.7838	1.7838		1.1054
C16	4.7575	3.7463	4.7575	3.7463	2.6875	3.1264	2.5969	3.1264	2.6875	2.5969	2.1571	1.5299	1.1044	1.1044	1.1054

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.192	H1	C2	C7	123.062
C2	C4	H3	125.192	C2	C4	C10	111.690
C2	C7	H5	110.506	C2	C7	H6	113.529
C2	C7	C12	103.401	H3	C4	C10	123.062
C4	C2	C7	111.690	C4	C10	H8	113.528
C4	C10	H9	110.507	C4	C10	C12	103.400
H5	C7	H6	106.050	H5	C7	C12	111.149
H6	C7	C12	112.327	C7	C12	C10	104.550
C7	C12	H11	106.989	C7	C12	C16	114.547
H8	C10	H9	106.050	H8	C10	C12	112.326
H9	C10	C12	111.150	C10	C12	H11	106.989
C10	C12	C16	114.547	H11	C12	C16	108.714
C12	C16	H13	111.502	C12	C16	H14	111.502
C12	C16	H15	110.799	H13	C16	H14	107.563
H13	C16	H15	107.643	H14	C16	H15	107.643

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

using model chemistry: PBEPBE/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	0.130
2	C	-0.111
3	H	0.130
4	C	-0.111
5	H	0.154
6	H	0.152
7	C	-0.333
8	H	0.152
9	H	0.154
10	C	-0.333
11	H	0.149
12	C	-0.103
13	H	0.156
14	H	0.156
15	H	0.154
16	C	-0.494

	x	y	z	Total
	-0.184	0.000	0.017	0.185
CHELPG
AIM
ESP

	x	y	z
x	9.908	0.000	-0.057
y	0.000	10.287	0.000
z	-0.057	0.000	6.822

<r²>	165.337
(<r²>)^1/2	12.858

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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