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	hartrees
Energy at 0K	-234.370386
Energy at 298.15K	-234.381519
Nuclear repulsion energy	235.325946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3239	3081	30.62
2	A	3136	2982	45.83
3	A	3098	2946	34.37
4	A	3060	2910	37.56
5	A	3058	2908	9.58
6	A	3026	2878	24.81
7	A	1720	1636	2.65
8	A	1529	1454	7.77
9	A	1519	1445	0.34
10	A	1437	1367	3.79
11	A	1397	1328	3.64
12	A	1323	1258	0.13
13	A	1254	1192	0.37
14	A	1145	1089	0.29
15	A	1128	1072	0.37
16	A	1085	1032	1.86
17	A	1001	952	0.43
18	A	944	898	5.12
19	A	841	800	1.34
20	A	710	675	33.96
21	A	575	547	3.79
22	A	425	404	1.16
23	A	110	105	0.07
24	A	3214	3057	8.48
25	A	3139	2985	25.19
26	A	3093	2942	34.87
27	A	3026	2878	42.87
28	A	1526	1451	2.55
29	A	1511	1437	1.25
30	A	1395	1327	0.31
31	A	1355	1289	2.44
32	A	1309	1245	3.45
33	A	1190	1131	0.01
34	A	1164	1107	2.50
35	A	1007	958	9.52
36	A	975	928	0.01
37	A	941	895	3.95
38	A	918	873	0.00
39	A	783	744	0.47
40	A	399	380	0.10
41	A	315	300	0.09
42	A	257	244	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.266	2.102	0.000
C2	-0.365	0.717	0.000
C3	0.003	-0.152	1.226
C4	0.003	-0.152	-1.226
C5	0.003	-1.550	0.667
C6	0.003	-1.550	-0.667
H7	-0.032	2.675	0.885
H8	-0.032	2.675	-0.885
H9	1.361	2.030	0.000
H10	-1.457	0.829	0.000
H11	1.000	0.107	1.615
H12	1.000	0.107	-1.615
H13	-0.701	-0.017	2.056
H14	-0.701	-0.017	-2.056
H15	0.042	-2.437	1.295
H16	0.042	-2.437	-1.295

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.5221	2.5787	2.5787	3.7219	3.7219	1.0962	1.0962	1.0970	2.1424	2.6691	2.6691	3.1066	3.1066	4.7253	4.7253
C2	1.5221		1.5465	1.5465	2.3916	2.3916	2.1751	2.1751	2.1690	1.0980	2.2006	2.2006	2.2089	2.2089	3.4335	3.4335
C3	2.5787	1.5465		2.4514	1.5061	2.3534	2.8478	3.5284	2.8475	2.1440	1.1013	3.0217	1.0972	3.3594	2.2866	3.4029
C4	2.5787	1.5465	2.4514		2.3534	1.5061	3.5284	2.8478	2.8475	2.1440	3.0217	1.1013	3.3594	1.0972	3.4029	2.2866
C5	3.7219	2.3916	1.5061	2.3534		1.3340	4.2316	4.5020	3.8873	2.8704	2.1543	2.9916	2.1860	3.2039	1.0874	2.1538
C6	3.7219	2.3916	2.3534	1.5061	1.3340		4.5020	4.2316	3.8873	2.8704	2.9916	2.1543	3.2039	2.1860	2.1538	1.0874
H7	1.0962	2.1751	2.8478	3.5284	4.2316	4.5020		1.7704	1.7721	2.4946	2.8624	3.7298	3.0109	4.0431	5.1293	5.5585
H8	1.0962	2.1751	3.5284	2.8478	4.5020	4.2316	1.7704		1.7721	2.4946	3.7298	2.8624	4.0431	3.0109	5.5585	5.1293
H9	1.0970	2.1690	2.8475	2.8475	3.8873	3.8873	1.7721	1.7721		3.0635	2.5371	2.5371	3.5595	3.5595	4.8349	4.8349
H10	2.1424	1.0980	2.1440	2.1440	2.8704	2.8704	2.4946	2.4946	3.0635		3.0278	3.0278	2.3486	2.3486	3.8200	3.8200
H11	2.6691	2.2006	1.1013	3.0217	2.1543	2.9916	2.8624	3.7298	2.5371	3.0278		3.2300	1.7617	4.0482	2.7375	3.9828
H12	2.6691	2.2006	3.0217	1.1013	2.9916	2.1543	3.7298	2.8624	2.5371	3.0278	3.2300		4.0482	1.7617	3.9828	2.7375
H13	3.1066	2.2089	1.0972	3.3594	2.1860	3.2039	3.0109	4.0431	3.5595	2.3486	1.7617	4.0482		4.1127	2.6437	4.2006
H14	3.1066	2.2089	3.3594	1.0972	3.2039	2.1860	4.0431	3.0109	3.5595	2.3486	4.0482	1.7617	4.1127		4.2006	2.6437
H15	4.7253	3.4335	2.2866	3.4029	1.0874	2.1538	5.1293	5.5585	4.8349	3.8200	2.7375	3.9828	2.6437	4.2006		2.5909
H16	4.7253	3.4335	3.4029	2.2866	2.1538	1.0874	5.5585	5.1293	4.8349	3.8200	3.9828	2.7375	4.2006	2.6437	2.5909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	114.349	H1	C2	C7	28.006
C2	C4	H3	37.577	C2	C4	C10	29.308
C2	C7	H5	23.217	C2	C7	H6	10.130
C2	C7	C12	31.733	H3	C4	C10	55.132
C4	C2	C7	142.354	C4	C10	H8	75.325
C4	C10	H9	63.440	C4	C10	C12	14.816
H5	C7	H6	17.213	H5	C7	C12	43.577
H6	C7	C12	28.410	C7	C12	C10	41.729
C7	C12	H11	47.907	C7	C12	C16	117.697
H8	C10	H9	35.341	H8	C10	C12	61.546
H9	C10	C12	49.225	C10	C12	H11	57.765
C10	C12	C16	82.831	H11	C12	C16	83.297
C12	C16	H13	67.635	C12	C16	H14	38.169
C12	C16	H15	96.703	H13	C16	H14	69.662
H13	C16	H15	37.066	H14	C16	H15	106.727

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

using model chemistry: HSEh1PBE/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	C	-0.521
2	C	-0.136
3	C	-0.357
4	C	-0.357
5	C	-0.140
6	C	-0.140
7	H	0.168
8	H	0.168
9	H	0.165
10	H	0.167
11	H	0.168
12	H	0.168
13	H	0.167
14	H	0.167
15	H	0.156
16	H	0.156

	x	y	z	Total
	-0.010	0.155	0.000	0.155
CHELPG
AIM
ESP

	x	y	z
x	6.674	0.037	0.000
y	0.037	9.492	0.000
z	0.000	0.000	10.031

<r²>	163.332
(<r²>)^1/2	12.780

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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