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	hartrees
Energy at 0K	-233.093798
Energy at 298.15K	-233.105757
Nuclear repulsion energy	237.919585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3301	2999	41.40
2	A	3187	2896	81.27
3	A	3171	2881	0.05
4	A	3140	2853	13.37
5	A	3132	2845	0.09
6	A	1850	1681	5.17
7	A	1626	1478	1.33
8	A	1599	1453	0.19
9	A	1509	1371	0.36
10	A	1499	1362	0.05
11	A	1371	1245	0.90
12	A	1346	1223	0.00
13	A	1254	1139	0.18
14	A	1201	1091	0.04
15	A	1140	1036	0.07
16	A	1114	1012	0.00
17	A	961	873	1.32
18	A	890	808	0.67
19	A	869	789	0.01
20	A	535	486	0.00
21	A	434	394	0.02
22	A	297	270	0.02
23	B	3274	2975	14.20
24	B	3190	2899	92.04
25	B	3169	2880	114.97
26	B	3144	2856	22.55
27	B	3131	2845	64.86
28	B	1613	1466	3.65
29	B	1607	1460	5.46
30	B	1539	1398	0.23
31	B	1502	1364	2.63
32	B	1467	1333	1.66
33	B	1395	1267	3.52
34	B	1255	1140	8.63
35	B	1109	1008	2.87
36	B	1098	998	2.41
37	B	1015	922	8.04
38	B	932	847	4.25
39	B	793	720	17.63
40	B	709	644	22.08
41	B	485	441	0.94
42	B	182	166	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.116	-0.649	1.300
C2	0.116	0.649	1.300
C3	0.251	1.473	0.046
C4	-0.251	-1.473	0.046
C5	-0.251	0.721	-1.186
C6	0.251	-0.721	-1.186
H7	-0.219	-1.166	2.239
H8	0.219	1.166	2.239
H9	1.294	1.754	-0.087
H10	-1.294	-1.754	-0.087
H11	-0.295	2.403	0.165
H12	0.295	-2.403	0.165
H13	-1.338	0.719	-1.186
H14	1.338	-0.719	-1.186
H15	0.062	1.234	-2.089
H16	-0.062	-1.234	-2.089

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3177	2.4912	1.5065	2.8417	2.5144	1.0764	2.0698	3.1115	2.1285	3.2609	2.1299	3.0894	2.8811	3.8808	3.4396
C2	1.3177		1.5065	2.4912	2.5144	2.8417	2.0698	1.0764	2.1285	3.1115	2.1299	3.2609	2.8811	3.0894	3.4396	3.8808
C3	2.4912	1.5065		2.9875	1.5284	2.5158	3.4623	2.2141	1.0881	3.5795	1.0856	3.8777	2.1472	2.7392	2.1566	3.4614
C4	1.5065	2.4912	2.9875		2.5158	1.5284	2.2141	3.4623	3.5795	1.0881	3.8777	1.0856	2.7392	2.1472	3.4614	2.1566
C5	2.8417	2.5144	1.5284	2.5158		1.5264	3.9102	3.4855	2.1594	2.9018	2.1582	3.4471	1.0868	2.1442	1.0845	2.1612
C6	2.5144	2.8417	2.5158	1.5284	1.5264		3.4855	3.9102	2.9018	2.1594	3.4471	2.1582	2.1442	1.0868	2.1612	1.0845
H7	1.0764	2.0698	3.4623	2.2141	3.9102	3.4855		2.3719	4.0270	2.6281	4.1282	2.4692	4.0661	3.7884	4.9562	4.3309
H8	2.0698	1.0764	2.2141	3.4623	3.4855	3.9102	2.3719		2.6281	4.0270	2.4692	4.1282	3.7884	4.0661	4.3309	4.9562
H9	3.1115	2.1285	1.0881	3.5795	2.1594	2.9018	4.0270	2.6281		4.3587	1.7349	4.2825	3.0340	2.7068	2.4076	3.8439
H10	2.1285	3.1115	3.5795	1.0881	2.9018	2.1594	2.6281	4.0270	4.3587		4.2825	1.7349	2.7068	3.0340	3.8439	2.4076
H11	3.2609	2.1299	1.0856	3.8777	2.1582	3.4471	4.1282	2.4692	1.7349	4.2825		4.8424	2.3974	3.7737	2.5640	4.2850
H12	2.1299	3.2609	3.8777	1.0856	3.4471	2.1582	2.4692	4.1282	4.2825	1.7349	4.8424		3.7737	2.3974	4.2850	2.5640
H13	3.0894	2.8811	2.1472	2.7392	1.0868	2.1442	4.0661	3.7884	3.0340	2.7068	2.3974	3.7737		3.0377	1.7437	2.5012
H14	2.8811	3.0894	2.7392	2.1472	2.1442	1.0868	3.7884	4.0661	2.7068	3.0340	3.7737	2.3974	3.0377		2.5012	1.7437
H15	3.8808	3.4396	2.1566	3.4614	1.0845	2.1612	4.9562	4.3309	2.4076	3.8439	2.5640	4.2850	1.7437	2.5012		2.4710
H16	3.4396	3.8808	3.4614	2.1566	2.1612	1.0845	4.3309	4.9562	3.8439	2.4076	4.2850	2.5640	2.5012	1.7437	2.4710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.653	C1	C2	H8	119.316
C1	C4	C6	111.886	C1	C4	H10	109.180
C1	C4	H12	109.441	C2	C1	C4	123.653
C2	C1	H7	119.316	C2	C3	C5	111.886
C2	C3	H9	109.180	C2	C3	H11	109.441
C3	C2	H8	117.032	C3	C5	C6	110.885
C3	C5	H13	109.212	C3	C5	H15	110.087
C4	C1	H7	117.032	C4	C6	C5	110.885
C4	C6	H14	109.212	C4	C6	H16	110.087
C5	C3	H9	110.098	C5	C3	H11	110.151
C5	C6	H14	109.116	C5	C6	H16	110.599
C6	C4	H10	110.098	C6	C4	H12	110.151
C6	C5	H13	109.116	C6	C5	H15	110.599
H9	C3	H11	105.902	H10	C4	H12	105.902
H13	C5	H15	106.842	H14	C6	H16	106.842

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: HF/6-311+G(3df,2p)

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	-0.185
2	C	-0.185
3	C	-0.225
4	C	-0.225
5	C	-0.176
6	C	-0.176
7	H	0.102
8	H	0.102
9	H	0.145
10	H	0.145
11	H	0.110
12	H	0.110
13	H	0.132
14	H	0.132
15	H	0.097
16	H	0.097

	x	y	z	Total
	0.000	0.000	-0.342	0.342
CHELPG
AIM
ESP

	x	y	z
x	8.179	0.485	0.000
y	0.485	11.336	0.000
z	0.000	0.000	9.833

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)