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	hartrees
Energy at 0K	-234.455192
Energy at 298.15K	-234.466795
HF Energy	-234.455192
Nuclear repulsion energy	237.903772

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3174	3051	36.47
2	A	3085	2965	49.15
3	A	3058	2939	0.42
4	A	3030	2912	14.47
5	A	3011	2894	0.07
6	A	1736	1668	3.57
7	A	1493	1435	2.96
8	A	1465	1408	0.08
9	A	1384	1330	0.07
10	A	1375	1321	0.36
11	A	1271	1221	0.40
12	A	1250	1201	0.09
13	A	1157	1112	0.11
14	A	1098	1055	0.00
15	A	1091	1048	0.07
16	A	1010	971	0.00
17	A	927	891	1.20
18	A	844	811	0.01
19	A	823	791	1.17
20	A	502	482	0.02
21	A	402	387	0.01
22	A	275	265	0.06
23	B	3150	3028	8.28
24	B	3088	2968	48.23
25	B	3058	2939	77.69
26	B	3036	2918	19.24
27	B	3011	2894	55.89
28	B	1485	1427	6.20
29	B	1471	1414	10.72
30	B	1425	1369	0.06
31	B	1375	1322	0.70
32	B	1350	1297	1.80
33	B	1294	1244	2.25
34	B	1159	1114	5.77
35	B	1059	1018	5.28
36	B	1021	981	1.24
37	B	932	896	5.20
38	B	900	865	6.91
39	B	733	704	10.35
40	B	655	630	24.50
41	B	452	435	1.38
42	B	167	160	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.121	-0.653	1.295
C2	0.121	0.653	1.295
C3	0.252	1.471	0.045
C4	-0.252	-1.471	0.045
C5	-0.252	0.719	-1.181
C6	0.252	-0.719	-1.181
H7	-0.227	-1.177	2.240
H8	0.227	1.177	2.240
H9	1.303	1.754	-0.092
H10	-1.303	-1.754	-0.092
H11	-0.295	2.410	0.165
H12	0.295	-2.410	0.165
H13	-1.347	0.713	-1.174
H14	1.347	-0.713	-1.174
H15	0.057	1.235	-2.093
H16	-0.057	-1.235	-2.093

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3280	2.4923	1.4994	2.8340	2.5053	1.0859	2.0886	3.1216	2.1292	3.2694	2.1302	3.0761	2.8728	3.8826	3.4384
C2	1.3280		1.4994	2.4923	2.5053	2.8340	2.0886	1.0859	2.1292	3.1216	2.1302	3.2694	2.8728	3.0761	3.4384	3.8826
C3	2.4923	1.4994		2.9844	1.5248	2.5095	3.4724	2.2148	1.0966	3.5827	1.0938	3.8828	2.1488	2.7295	2.1602	3.4623
C4	1.4994	2.4923	2.9844		2.5095	1.5248	2.2148	3.4724	3.5827	1.0966	3.8828	1.0938	2.7295	2.1488	3.4623	2.1602
C5	2.8340	2.5053	1.5248	2.5095		1.5231	3.9116	3.4854	2.1626	2.8989	2.1623	3.4497	1.0944	2.1458	1.0923	2.1645
C6	2.5053	2.8340	2.5095	1.5248	1.5231		3.4854	3.9116	2.8989	2.1626	3.4497	2.1623	2.1458	1.0944	2.1645	1.0923
H7	1.0859	2.0886	3.4724	2.2148	3.9116	3.4854		2.3970	4.0461	2.6324	4.1444	2.4701	4.0593	3.7881	4.9673	4.3371
H8	2.0886	1.0859	2.2148	3.4724	3.4854	3.9116	2.3970		2.6324	4.0461	2.4701	4.1444	3.7881	4.0593	4.3371	4.9673
H9	3.1216	2.1292	1.0966	3.5827	2.1626	2.8989	4.0461	2.6324		4.3698	1.7463	4.2919	3.0453	2.6937	2.4137	3.8451
H10	2.1292	3.1216	3.5827	1.0966	2.8989	2.1626	2.6324	4.0461	4.3698		4.2919	1.7463	2.6937	3.0453	3.8451	2.4137
H11	3.2694	2.1302	1.0938	3.8828	2.1623	3.4497	4.1444	2.4701	1.7463	4.2919		4.8560	2.4040	3.7734	2.5698	4.2942
H12	2.1302	3.2694	3.8828	1.0938	3.4497	2.1623	2.4701	4.1444	4.2919	1.7463	4.8560		3.7734	2.4040	4.2942	2.5698
H13	3.0761	2.8728	2.1488	2.7295	1.0944	2.1458	4.0593	3.7881	3.0453	2.6937	2.4040	3.7734		3.0471	1.7570	2.5102
H14	2.8728	3.0761	2.7295	2.1488	2.1458	1.0944	3.7881	4.0593	2.6937	3.0453	3.7734	2.4040	3.0471		2.5102	1.7570
H15	3.8826	3.4384	2.1602	3.4623	1.0923	2.1645	4.9673	4.3371	2.4137	3.8451	2.5698	4.2942	1.7570	2.5102		2.4721
H16	3.4384	3.8826	3.4623	2.1602	2.1645	1.0923	4.3371	4.9673	3.8451	2.4137	4.2942	2.5698	2.5102	1.7570	2.4721

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.521	C1	C2	H8	119.484
C1	C4	C6	111.872	C1	C4	H10	109.224
C1	C4	H12	109.466	C2	C1	C4	123.521
C2	C1	H7	119.484	C2	C3	C5	111.872
C2	C3	H9	109.224	C2	C3	H11	109.466
C3	C2	H8	116.994	C3	C5	C6	110.844
C3	C5	H13	109.151	C3	C5	H15	110.165
C4	C1	H7	116.994	C4	C6	C5	110.844
C4	C6	H14	109.151	C4	C6	H16	110.165
C5	C3	H9	110.102	C5	C3	H11	110.246
C5	C6	H14	109.030	C5	C6	H16	110.623
C6	C4	H10	110.102	C6	C4	H12	110.246
C6	C5	H13	109.030	C6	C5	H15	110.623
H9	C3	H11	105.741	H10	C4	H12	105.741
H13	C5	H15	106.930	H14	C6	H16	106.930

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.156
2	C	-0.156
3	C	-0.143
4	C	-0.143
5	C	-0.167
6	C	-0.167
7	H	0.113
8	H	0.113
9	H	0.091
10	H	0.091
11	H	0.090
12	H	0.090
13	H	0.083
14	H	0.083
15	H	0.089
16	H	0.089

	x	y	z	Total
	0.000	0.000	-0.332	0.332
CHELPG
AIM
ESP

	x	y	z
x	7.972	0.594	0.000
y	0.594	11.621	0.000
z	0.000	0.000	10.144

<r²>	153.159
(<r²>)^1/2	12.376

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)