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	hartrees
Energy at 0K	-234.376876
Energy at 298.15K	-234.388450
Nuclear repulsion energy	237.155166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3199	3042	44.58
2	A	3110	2958	47.72
3	A	3081	2930	0.96
4	A	3056	2907	18.59
5	A	3032	2883	0.00
6	A	1759	1673	2.52
7	A	1526	1451	1.63
8	A	1498	1424	0.05
9	A	1404	1335	0.26
10	A	1398	1330	0.26
11	A	1286	1223	0.66
12	A	1263	1202	0.22
13	A	1172	1114	0.01
14	A	1108	1053	0.00
15	A	1100	1046	0.10
16	A	1006	957	0.01
17	A	934	889	0.73
18	A	851	809	0.00
19	A	831	791	1.36
20	A	502	478	0.03
21	A	400	381	0.01
22	A	279	266	0.09
23	B	3175	3020	9.26
24	B	3115	2963	53.09
25	B	3081	2930	84.23
26	B	3060	2910	14.27
27	B	3032	2883	65.35
28	B	1515	1441	4.90
29	B	1505	1431	6.52
30	B	1440	1369	0.04
31	B	1397	1328	1.93
32	B	1362	1295	1.51
33	B	1309	1245	1.95
34	B	1172	1115	4.39
35	B	1069	1017	4.24
36	B	1026	975	1.05
37	B	942	896	3.88
38	B	908	864	5.23
39	B	736	700	9.43
40	B	657	625	22.83
41	B	455	432	1.40
42	B	168	160	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.121	-0.657	1.299
C2	0.121	0.657	1.299
C3	0.254	1.476	0.045
C4	-0.254	-1.476	0.045
C5	-0.254	0.721	-1.184
C6	0.254	-0.721	-1.184
H7	-0.228	-1.185	2.247
H8	0.228	1.185	2.247
H9	1.308	1.760	-0.095
H10	-1.308	-1.760	-0.095
H11	-0.295	2.420	0.162
H12	0.295	-2.420	0.162
H13	-1.352	0.714	-1.176
H14	1.352	-0.714	-1.176
H15	0.055	1.239	-2.100
H16	-0.055	-1.239	-2.100

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3354	2.5027	1.5042	2.8426	2.5122	1.0899	2.0999	3.1347	2.1376	3.2849	2.1394	3.0851	2.8807	3.8956	3.4491
C2	1.3354		1.5042	2.5027	2.5122	2.8426	2.0999	1.0899	2.1376	3.1347	2.1394	3.2849	2.8807	3.0851	3.4491	3.8956
C3	2.5027	1.5042		2.9961	1.5294	2.5175	3.4871	2.2210	1.1007	3.5963	1.0981	3.8988	2.1562	2.7375	2.1671	3.4738
C4	1.5042	2.5027	2.9961		2.5175	1.5294	2.2210	3.4871	3.5963	1.1007	3.8988	1.0981	2.7375	2.1562	3.4738	2.1671
C5	2.8426	2.5122	1.5294	2.5175		1.5277	3.9243	3.4952	2.1692	2.9073	2.1688	3.4611	1.0984	2.1529	1.0965	2.1716
C6	2.5122	2.8426	2.5175	1.5294	1.5277		3.4952	3.9243	2.9073	2.1692	3.4611	2.1688	2.1529	1.0984	2.1716	1.0965
H7	1.0899	2.0999	3.4871	2.2210	3.9243	3.4952		2.4126	4.0635	2.6420	4.1648	2.4790	4.0719	3.7986	4.9843	4.3502
H8	2.0999	1.0899	2.2210	3.4871	3.4952	3.9243	2.4126		2.6420	4.0635	2.4790	4.1648	3.7986	4.0719	4.3502	4.9843
H9	3.1347	2.1376	1.1007	3.5963	2.1692	2.9073	4.0635	2.6420		4.3858	1.7526	4.3091	3.0557	2.7002	2.4209	3.8563
H10	2.1376	3.1347	3.5963	1.1007	2.9073	2.1692	2.6420	4.0635	4.3858		4.3091	1.7526	2.7002	3.0557	3.8563	2.4209
H11	3.2849	2.1394	1.0981	3.8988	2.1688	3.4611	4.1648	2.4790	1.7526	4.3091		4.8766	2.4123	3.7849	2.5761	4.3084
H12	2.1394	3.2849	3.8988	1.0981	3.4611	2.1688	2.4790	4.1648	4.3091	1.7526	4.8766		3.7849	2.4123	4.3084	2.5761
H13	3.0851	2.8807	2.1562	2.7375	1.0984	2.1529	4.0719	3.7986	3.0557	2.7002	2.4123	3.7849		3.0575	1.7635	2.5192
H14	2.8807	3.0851	2.7375	2.1562	2.1529	1.0984	3.7986	4.0719	2.7002	3.0557	3.7849	2.4123	3.0575		2.5192	1.7635
H15	3.8956	3.4491	2.1671	3.4738	1.0965	2.1716	4.9843	4.3502	2.4209	3.8563	2.5761	4.3084	1.7635	2.5192		2.4796
H16	3.4491	3.8956	3.4738	2.1671	2.1716	1.0965	4.3502	4.9843	3.8563	2.4209	4.3084	2.5761	2.5192	1.7635	2.4796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.502	C1	C2	H8	119.615
C1	C4	C6	111.807	C1	C4	H10	109.312
C1	C4	H12	109.606	C2	C1	C4	123.502
C2	C1	H7	119.615	C2	C3	C5	111.807
C2	C3	H9	109.312	C2	C3	H11	109.606
C3	C2	H8	116.882	C3	C5	C6	110.865
C3	C5	H13	109.177	C3	C5	H15	110.137
C4	C1	H7	116.882	C4	C6	C5	110.865
C4	C6	H14	109.177	C4	C6	H16	110.137
C5	C3	H9	110.053	C5	C3	H11	110.177
C5	C6	H14	109.030	C5	C6	H16	110.615
C6	C4	H10	110.053	C6	C4	H12	110.177
C6	C5	H13	109.030	C6	C5	H15	110.615
H9	C3	H11	105.700	H10	C4	H12	105.700
H13	C5	H15	106.918	H14	C6	H16	106.918

All results from a given calculation for C₆H₁₀ (cyclohexene)

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	-0.137
2	C	-0.137
3	C	-0.356
4	C	-0.356
5	C	-0.325
6	C	-0.325
7	H	0.151
8	H	0.151
9	H	0.172
10	H	0.172
11	H	0.170
12	H	0.170
13	H	0.165
14	H	0.165
15	H	0.161
16	H	0.161

	x	y	z	Total
	0.000	0.000	-0.237	0.237
CHELPG
AIM
ESP

	x	y	z
x	6.824	0.643	0.000
y	0.643	10.531	0.000
z	0.000	0.000	8.983

<r²>	153.552
(<r²>)^1/2	12.392

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)