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	hartrees
Energy at 0K	-234.697955
Energy at 298.15K	-234.709539
Nuclear repulsion energy	236.450946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3149	3043	54.03
2	A	3059	2956	67.20
3	A	3034	2932	0.89
4	A	3012	2911	16.02
5	A	2991	2890	0.02
6	A	1721	1663	2.66
7	A	1519	1468	2.49
8	A	1491	1441	0.11
9	A	1394	1347	0.00
10	A	1382	1336	0.33
11	A	1281	1238	0.68
12	A	1256	1214	0.05
13	A	1170	1131	0.03
14	A	1104	1067	0.01
15	A	1072	1036	0.12
16	A	994	961	0.01
17	A	911	880	1.14
18	A	833	805	0.65
19	A	824	796	0.27
20	A	504	487	0.04
21	A	403	390	0.01
22	A	281	271	0.04
23	B	3124	3019	14.51
24	B	3063	2960	75.66
25	B	3035	2932	115.37
26	B	3017	2916	16.04
27	B	2991	2890	68.51
28	B	1508	1457	5.85
29	B	1499	1448	7.98
30	B	1428	1380	0.02
31	B	1380	1333	1.89
32	B	1364	1318	1.69
33	B	1305	1261	2.09
34	B	1173	1134	5.05
35	B	1050	1015	3.61
36	B	1020	986	1.62
37	B	939	908	5.25
38	B	882	852	5.77
39	B	731	707	9.50
40	B	655	633	28.88
41	B	462	446	1.24
42	B	169	164	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.008	-0.667	1.305
C2	0.008	0.667	1.305
C3	0.000	1.501	0.048
C4	0.000	-1.501	0.048
C5	-0.367	0.673	-1.192
C6	0.367	-0.673	-1.192
H7	-0.024	-1.201	2.253
H8	0.024	1.201	2.253
H9	0.987	1.967	-0.086
H10	-0.987	-1.967	-0.086
H11	-0.700	2.337	0.165
H12	0.700	-2.337	0.165
H13	-1.449	0.493	-1.198
H14	1.449	-0.493	-1.198
H15	-0.140	1.236	-2.103
H16	0.140	-1.236	-2.103

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3332	2.5052	1.5083	2.8566	2.5251	1.0883	2.0944	3.1400	2.1415	3.2865	2.1427	3.1124	2.9011	3.9059	3.4589
C2	1.3332		1.5083	2.5052	2.5251	2.8566	2.0944	1.0883	2.1415	3.1400	2.1427	3.2865	2.9011	3.1124	3.4589	3.9059
C3	2.5052	1.5083		3.0014	1.5355	2.5298	3.4870	2.2251	1.0997	3.6077	1.0967	3.9028	2.1605	2.7617	2.1725	3.4845
C4	1.5083	2.5052	3.0014		2.5298	1.5355	2.2251	3.4870	3.6077	1.0997	3.9028	1.0967	2.7617	2.1605	3.4845	2.1725
C5	2.8566	2.5251	1.5355	2.5298		1.5334	3.9369	3.5071	2.1742	2.9286	2.1725	3.4700	1.0970	2.1578	1.0948	2.1759
C6	2.5251	2.8566	2.5298	1.5355	1.5334		3.5071	3.9369	2.9286	2.1742	3.4700	2.1725	2.1578	1.0970	2.1759	1.0948
H7	1.0883	2.0944	3.4870	2.2251	3.9369	3.5071		2.4021	4.0655	2.6435	4.1635	2.4851	4.1000	3.8183	4.9932	4.3597
H8	2.0944	1.0883	2.2251	3.4870	3.5071	3.9369	2.4021		2.6435	4.0655	2.4851	4.1635	3.8183	4.1000	4.3597	4.9932
H9	3.1400	2.1415	1.0997	3.6077	2.1742	2.9286	4.0655	2.6435		4.4009	1.7450	4.3207	3.0561	2.7384	2.4231	3.8787
H10	2.1415	3.1400	3.6077	1.0997	2.9286	2.1742	2.6435	4.0655	4.4009		4.3207	1.7450	2.7384	3.0561	3.8787	2.4231
H11	3.2865	2.1427	1.0967	3.9028	2.1725	3.4700	4.1635	2.4851	1.7450	4.3207		4.8791	2.4122	3.8056	2.5824	4.3150
H12	2.1427	3.2865	3.9028	1.0967	3.4700	2.1725	2.4851	4.1635	4.3207	1.7450	4.8791		3.8056	2.4122	4.3150	2.5824
H13	3.1124	2.9011	2.1605	2.7617	1.0970	2.1578	4.1000	3.8183	3.0561	2.7384	2.4122	3.8056		3.0607	1.7562	2.5171
H14	2.9011	3.1124	2.7617	2.1605	2.1578	1.0970	3.8183	4.1000	2.7384	3.0561	3.8056	2.4122	3.0607		2.5171	1.7562
H15	3.9059	3.4589	2.1725	3.4845	1.0948	2.1759	4.9932	4.3597	2.4231	3.8787	2.5824	4.3150	1.7562	2.5171		2.4887
H16	3.4589	3.9059	3.4845	2.1725	2.1759	1.0948	4.3597	4.9932	3.8787	2.4231	4.3150	2.5824	2.5171	1.7562	2.4887

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.569	C1	C2	H8	119.409
C1	C4	C6	112.105	C1	C4	H10	109.395
C1	C4	H12	109.668	C2	C1	C4	123.569
C2	C1	H7	119.409	C2	C3	C5	112.105
C2	C3	H9	109.395	C2	C3	H11	109.668
C3	C2	H8	117.023	C3	C5	C6	111.039
C3	C5	H13	109.177	C3	C5	H15	110.240
C4	C1	H7	117.023	C4	C6	C5	111.039
C4	C6	H14	109.177	C4	C6	H16	110.240
C5	C3	H9	110.091	C5	C3	H11	110.136
C5	C6	H14	109.107	C5	C6	H16	110.658
C6	C4	H10	110.091	C6	C4	H12	110.136
C6	C5	H13	109.107	C6	C5	H15	110.658
H9	C3	H11	105.215	H10	C4	H12	105.215
H13	C5	H15	106.497	H14	C6	H16	106.497

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: B3LYP/6-311G*

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	-0.171
2	C	-0.171
3	C	-0.422
4	C	-0.422
5	C	-0.412
6	C	-0.412
7	H	0.182
8	H	0.182
9	H	0.207
10	H	0.207
11	H	0.209
12	H	0.209
13	H	0.203
14	H	0.203
15	H	0.204
16	H	0.204

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)