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	hartrees
Energy at 0K	-234.670078
Energy at 298.15K	-234.681637
Nuclear repulsion energy	236.050591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3166	3053	45.19
2	A	3069	2959	59.41
3	A	3045	2936	0.98
4	A	3020	2912	19.30
5	A	2999	2892	0.00
6	A	1716	1655	5.58
7	A	1508	1454	2.15
8	A	1479	1426	0.03
9	A	1386	1336	0.24
10	A	1373	1324	0.34
11	A	1269	1223	0.50
12	A	1248	1204	0.09
13	A	1163	1121	0.01
14	A	1097	1057	0.01
15	A	1071	1033	0.07
16	A	996	961	0.00
17	A	910	877	1.03
18	A	829	799	0.64
19	A	823	793	0.35
20	A	501	483	0.03
21	A	401	386	0.03
22	A	280	270	0.04
23	B	3143	3031	10.72
24	B	3073	2963	62.23
25	B	3045	2936	94.97
26	B	3024	2916	20.79
27	B	2999	2892	68.53
28	B	1497	1444	5.35
29	B	1486	1432	8.00
30	B	1422	1371	0.08
31	B	1374	1325	1.94
32	B	1352	1304	1.27
33	B	1292	1246	2.55
34	B	1160	1119	6.42
35	B	1048	1010	4.16
36	B	1016	980	1.44
37	B	934	901	5.99
38	B	881	850	5.52
39	B	730	704	11.67
40	B	653	629	29.40
41	B	459	442	1.19
42	B	169	163	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.007	-0.670	1.307
C2	0.007	0.670	1.307
C3	0.000	1.504	0.048
C4	0.000	-1.504	0.048
C5	-0.369	0.674	-1.193
C6	0.369	-0.674	-1.193
H7	-0.024	-1.203	2.256
H8	0.024	1.203	2.256
H9	0.990	1.966	-0.088
H10	-0.990	-1.966	-0.088
H11	-0.701	2.341	0.165
H12	0.701	-2.341	0.165
H13	-1.452	0.489	-1.195
H14	1.452	-0.489	-1.195
H15	-0.143	1.238	-2.106
H16	0.143	-1.238	-2.106

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3398	2.5122	1.5105	2.8611	2.5282	1.0892	2.1004	3.1452	2.1433	3.2944	2.1448	3.1128	2.9019	3.9122	3.4632
C2	1.3398		1.5105	2.5122	2.5282	2.8611	2.1004	1.0892	2.1433	3.1452	2.1448	3.2944	2.9019	3.1128	3.4632	3.9122
C3	2.5122	1.5105		3.0077	1.5378	2.5331	3.4941	2.2292	1.1014	3.6113	1.0982	3.9103	2.1635	2.7613	2.1748	3.4892
C4	1.5105	2.5122	3.0077		2.5331	1.5378	2.2292	3.4941	3.6113	1.1014	3.9103	1.0982	2.7613	2.1635	3.4892	2.1748
C5	2.8611	2.5282	1.5378	2.5331		1.5356	3.9422	3.5119	2.1767	2.9285	2.1761	3.4752	1.0989	2.1602	1.0965	2.1790
C6	2.5282	2.8611	2.5331	1.5378	1.5356		3.5119	3.9422	2.9285	2.1767	3.4752	2.1761	2.1602	1.0989	2.1790	1.0965
H7	1.0892	2.1004	3.4941	2.2292	3.9422	3.5119		2.4074	4.0712	2.6483	4.1712	2.4890	4.1006	3.8208	5.0003	4.3657
H8	2.1004	1.0892	2.2292	3.4941	3.5119	3.9422	2.4074		2.6483	4.0712	2.4890	4.1712	3.8208	4.1006	4.3657	5.0003
H9	3.1452	2.1433	1.1014	3.6113	2.1767	2.9285	4.0712	2.6483		4.4032	1.7505	4.3248	3.0609	2.7328	2.4262	3.8799
H10	2.1433	3.1452	3.6113	1.1014	2.9285	2.1767	2.6483	4.0712	4.4032		4.3248	1.7505	2.7328	3.0609	3.8799	2.4262
H11	3.2944	2.1448	1.0982	3.9103	2.1761	3.4752	4.1712	2.4890	1.7505	4.3248		4.8879	2.4170	3.8073	2.5855	4.3217
H12	2.1448	3.2944	3.9103	1.0982	3.4752	2.1761	2.4890	4.1712	4.3248	1.7505	4.8879		3.8073	2.4170	4.3217	2.5855
H13	3.1128	2.9019	2.1635	2.7613	1.0989	2.1602	4.1006	3.8208	3.0609	2.7328	2.4170	3.8073		3.0643	1.7615	2.5214
H14	2.9019	3.1128	2.7613	2.1635	2.1602	1.0989	3.8208	4.1006	2.7328	3.0609	3.8073	2.4170	3.0643		2.5214	1.7615
H15	3.9122	3.4632	2.1748	3.4892	1.0965	2.1790	5.0003	4.3657	2.4262	3.8799	2.5855	4.3217	1.7615	2.5214		2.4918
H16	3.4632	3.9122	3.4892	2.1748	2.1790	1.0965	4.3657	5.0003	3.8799	2.4262	4.3217	2.5855	2.5214	1.7615	2.4918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.508	C1	C2	H8	119.344
C1	C4	C6	112.071	C1	C4	H10	109.296
C1	C4	H12	109.594	C2	C1	C4	123.508
C2	C1	H7	119.344	C2	C3	C5	112.071
C2	C3	H9	109.296	C2	C3	H11	109.594
C3	C2	H8	117.148	C3	C5	C6	111.016
C3	C5	H13	109.148	C3	C5	H15	110.167
C4	C1	H7	117.148	C4	C6	C5	111.016
C4	C6	H14	109.148	C4	C6	H16	110.167
C5	C3	H9	110.030	C5	C3	H11	110.167
C5	C6	H14	109.039	C5	C6	H16	110.647
C6	C4	H10	110.030	C6	C4	H12	110.167
C6	C5	H13	109.039	C6	C5	H15	110.647
H9	C3	H11	105.467	H10	C4	H12	105.467
H13	C5	H15	106.709	H14	C6	H16	106.709

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: B3LYP/6-31+G**

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	-0.064
2	C	-0.064
3	C	-0.377
4	C	-0.377
5	C	-0.242
6	C	-0.242
7	H	0.117
8	H	0.117
9	H	0.150
10	H	0.150
11	H	0.141
12	H	0.141
13	H	0.143
14	H	0.143
15	H	0.133
16	H	0.133

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)