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	hartrees
Energy at 0K	-233.225174
Energy at 298.15K	-233.236619
Nuclear repulsion energy	233.874956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3085	3068	46.53
2	A	3004	2988	44.14
3	A	2978	2961	5.84
4	A	2962	2945	13.99
5	A	2934	2918	0.02
6	A	1662	1653	1.71
7	A	1519	1511	1.65
8	A	1495	1487	0.00
9	A	1367	1360	0.00
10	A	1355	1347	0.42
11	A	1276	1269	0.46
12	A	1250	1243	0.03
13	A	1164	1158	0.03
14	A	1086	1080	0.06
15	A	1022	1016	0.22
16	A	973	968	0.01
17	A	870	866	1.51
18	A	818	814	1.17
19	A	787	783	0.09
20	A	493	491	0.05
21	A	386	384	0.00
22	A	273	272	0.09
23	B	3059	3042	9.57
24	B	3014	2998	59.52
25	B	2976	2960	82.84
26	B	2963	2946	3.44
27	B	2934	2918	52.58
28	B	1515	1506	4.87
29	B	1503	1495	5.02
30	B	1415	1407	0.48
31	B	1365	1357	1.10
32	B	1338	1331	3.31
33	B	1294	1287	0.62
34	B	1174	1168	3.37
35	B	1022	1017	1.26
36	B	1004	999	2.10
37	B	927	921	3.59
38	B	839	834	5.07
39	B	716	712	7.17
40	B	643	639	30.17
41	B	453	450	1.66
42	B	157	156	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.008	-0.673	1.320
C2	0.008	0.673	1.320
C3	0.000	1.519	0.048
C4	0.000	-1.519	0.048
C5	-0.385	0.676	-1.206
C6	0.385	-0.676	-1.206
H7	-0.025	-1.218	2.270
H8	0.025	1.218	2.270
H9	1.002	1.970	-0.101
H10	-1.002	-1.970	-0.101
H11	-0.709	2.360	0.168
H12	0.709	-2.360	0.168
H13	-1.471	0.472	-1.186
H14	1.471	-0.472	-1.186
H15	-0.165	1.246	-2.125
H16	0.165	-1.246	-2.125

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3452	2.5343	1.5282	2.8878	2.5559	1.0953	2.1158	3.1656	2.1656	3.3187	2.1651	3.1195	2.9167	3.9461	3.4964
C2	1.3452		1.5282	2.5343	2.5559	2.8878	2.1158	1.0953	2.1656	3.1656	2.1651	3.3187	2.9167	3.1195	3.4964	3.9461
C3	2.5343	1.5282		3.0388	1.5590	2.5574	3.5256	2.2424	1.1086	3.6334	1.1059	3.9451	2.1871	2.7665	2.1959	3.5207
C4	1.5282	2.5343	3.0388		2.5574	1.5590	2.2424	3.5256	3.6334	1.1086	3.9451	1.1059	2.7665	2.1871	3.5207	2.1959
C5	2.8878	2.5559	1.5590	2.5574		1.5567	3.9743	3.5410	2.1951	2.9330	2.1965	3.5072	1.1050	2.1832	1.1038	2.2007
C6	2.5559	2.8878	2.5574	1.5590	1.5567		3.5410	3.9743	2.9330	2.1951	3.5072	2.1965	2.1832	1.1050	2.2007	1.1038
H7	1.0953	2.1158	3.5256	2.2424	3.9743	3.5410		2.4361	4.1031	2.6723	4.2054	2.5021	4.1099	3.8386	5.0401	4.3987
H8	2.1158	1.0953	2.2424	3.5256	3.5410	3.9743	2.4361		2.6723	4.1031	2.5021	4.2054	3.8386	4.1099	4.3987	5.0401
H9	3.1656	2.1656	1.1086	3.6334	2.1951	2.9330	4.1031	2.6723		4.4202	1.7752	4.3478	3.0882	2.7132	2.4456	3.8910
H10	2.1656	3.1656	3.6334	1.1086	2.9330	2.1951	2.6723	4.1031	4.4202		4.3478	1.7752	2.7132	3.0882	3.8910	2.4456
H11	3.3187	2.1651	1.1059	3.9451	2.1965	3.5072	4.2054	2.5021	1.7752	4.3478		4.9277	2.4446	3.8217	2.6061	4.3613
H12	2.1651	3.3187	3.9451	1.1059	3.5072	2.1965	2.5021	4.2054	4.3478	1.7752	4.9277		3.8217	2.4446	4.3613	2.6061
H13	3.1195	2.9167	2.1871	2.7665	1.1050	2.1832	4.1099	3.8386	3.0882	2.7132	2.4446	3.8217		3.0904	1.7852	2.5516
H14	2.9167	3.1195	2.7665	2.1871	2.1832	1.1050	3.8386	4.1099	2.7132	3.0882	3.8217	2.4446	3.0904		2.5516	1.7852
H15	3.9461	3.4964	2.1959	3.5207	1.1038	2.2007	5.0401	4.3987	2.4456	3.8910	2.6061	4.3613	1.7852	2.5516		2.5140
H16	3.4964	3.9461	3.5207	2.1959	2.2007	1.1038	4.3987	5.0401	3.8910	2.4456	4.3613	2.6061	2.5516	1.7852	2.5140

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.645	C1	C2	H8	119.863
C1	C4	C6	111.765	C1	C4	H10	109.405
C1	C4	H12	109.518	C2	C1	C4	123.645
C2	C1	H7	119.863	C2	C3	C5	111.765
C2	C3	H9	109.405	C2	C3	H11	109.518
C3	C2	H8	116.492	C3	C5	C6	110.333
C3	C5	H13	109.178	C3	C5	H15	109.929
C4	C1	H7	116.492	C4	C6	C5	110.333
C4	C6	H14	109.178	C4	C6	H16	109.929
C5	C3	H9	109.594	C5	C3	H11	109.852
C5	C6	H14	109.037	C5	C6	H16	110.465
C6	C4	H10	109.594	C6	C4	H12	109.852
C6	C5	H13	109.037	C6	C5	H15	110.465
H9	C3	H11	106.568	H10	C4	H12	106.568
H13	C5	H15	107.846	H14	C6	H16	107.846

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: BLYP/3-21G

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	-0.136
2	C	-0.136
3	C	-0.389
4	C	-0.389
5	C	-0.339
6	C	-0.339
7	H	0.155
8	H	0.155
9	H	0.184
10	H	0.184
11	H	0.179
12	H	0.179
13	H	0.176
14	H	0.176
15	H	0.169
16	H	0.169

<r²>	157.558
(<r²>)^1/2	12.552

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)