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	hartrees
Energy at 0K	-234.637142
Energy at 298.15K	-234.648756
Nuclear repulsion energy	237.481928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3182	3037	49.04
2	A	3094	2953	59.01
3	A	3070	2930	0.75
4	A	3042	2904	18.51
5	A	3023	2886	0.00
6	A	1745	1666	2.80
7	A	1518	1449	3.05
8	A	1489	1422	0.23
9	A	1399	1336	0.13
10	A	1393	1329	0.35
11	A	1287	1229	0.50
12	A	1263	1205	0.12
13	A	1174	1120	0.04
14	A	1106	1055	0.02
15	A	1093	1043	0.07
16	A	1003	958	0.01
17	A	929	886	1.33
18	A	846	808	0.00
19	A	830	792	1.25
20	A	504	481	0.05
21	A	406	387	0.01
22	A	280	267	0.05
23	B	3157	3013	12.78
24	B	3098	2957	65.19
25	B	3069	2929	95.97
26	B	3047	2908	19.86
27	B	3023	2886	68.90
28	B	1507	1438	7.11
29	B	1498	1430	10.50
30	B	1435	1370	0.05
31	B	1391	1327	1.11
32	B	1362	1300	1.92
33	B	1312	1252	2.29
34	B	1175	1122	5.56
35	B	1065	1016	4.54
36	B	1025	978	1.50
37	B	940	897	5.59
38	B	902	861	6.73
39	B	735	701	11.08
40	B	657	627	30.05
41	B	458	437	1.49
42	B	171	163	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.009	-0.665	1.297
C2	0.009	0.665	1.297
C3	0.000	1.494	0.046
C4	0.000	-1.494	0.046
C5	-0.370	0.667	-1.183
C6	0.370	-0.667	-1.183
H7	-0.027	-1.198	2.245
H8	0.027	1.198	2.245
H9	0.986	1.957	-0.092
H10	-0.986	-1.957	-0.092
H11	-0.698	2.331	0.163
H12	0.698	-2.331	0.163
H13	-1.450	0.478	-1.178
H14	1.450	-0.478	-1.178
H15	-0.156	1.229	-2.097
H16	0.156	-1.229	-2.097

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3311	2.4958	1.5008	2.8384	2.5089	1.0873	2.0907	3.1306	2.1341	3.2766	2.1349	3.0841	2.8793	3.8895	3.4443
C2	1.3311		1.5008	2.4958	2.5089	2.8384	2.0907	1.0873	2.1341	3.1306	2.1349	3.2766	2.8793	3.0841	3.4443	3.8895
C3	2.4958	1.5008		2.9878	1.5266	2.5131	3.4760	2.2195	1.0986	3.5921	1.0955	3.8893	2.1519	2.7367	2.1645	3.4680
C4	1.5008	2.4958	2.9878		2.5131	1.5266	2.2195	3.4760	3.5921	1.0986	3.8893	1.0955	2.7367	2.1519	3.4680	2.1645
C5	2.8384	2.5089	1.5266	2.5131		1.5251	3.9175	3.4917	2.1666	2.9081	2.1649	3.4548	1.0962	2.1497	1.0938	2.1689
C6	2.5089	2.8384	2.5131	1.5266	1.5251		3.4917	3.9175	2.9081	2.1666	3.4548	2.1649	2.1497	1.0962	2.1689	1.0938
H7	1.0873	2.0907	3.4760	2.2195	3.9175	3.4917		2.3956	4.0550	2.6386	4.1513	2.4787	4.0687	3.7970	4.9756	4.3459
H8	2.0907	1.0873	2.2195	3.4760	3.4917	3.9175	2.3956		2.6386	4.0550	2.4787	4.1513	3.7970	4.0687	4.3459	4.9756
H9	3.1306	2.1341	1.0986	3.5921	2.1666	2.9081	4.0550	2.6386		4.3837	1.7436	4.3052	3.0498	2.7069	2.4194	3.8548
H10	2.1341	3.1306	3.5921	1.0986	2.9081	2.1666	2.6386	4.0550	4.3837		4.3052	1.7436	2.7069	3.0498	3.8548	2.4194
H11	3.2766	2.1349	1.0955	3.8893	2.1649	3.4548	4.1513	2.4787	1.7436	4.3052		4.8653	2.4073	3.7814	2.5718	4.3014
H12	2.1349	3.2766	3.8893	1.0955	3.4548	2.1649	2.4787	4.1513	4.3052	1.7436	4.8653		3.7814	2.4073	4.3014	2.5718
H13	3.0841	2.8793	2.1519	2.7367	1.0962	2.1497	4.0687	3.7970	3.0498	2.7069	2.4073	3.7814		3.0529	1.7552	2.5167
H14	2.8793	3.0841	2.7367	2.1519	2.1497	1.0962	3.7970	4.0687	2.7069	3.0498	3.7814	2.4073	3.0529		2.5167	1.7552
H15	3.8895	3.4443	2.1645	3.4680	1.0938	2.1689	4.9756	4.3459	2.4194	3.8548	2.5718	4.3014	1.7552	2.5167		2.4770
H16	3.4443	3.8895	3.4680	2.1645	2.1689	1.0938	4.3459	4.9756	3.8548	2.4194	4.3014	2.5718	2.5167	1.7552	2.4770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.495	C1	C2	H8	119.307
C1	C4	C6	111.938	C1	C4	H10	109.399
C1	C4	H12	109.642	C2	C1	C4	123.495
C2	C1	H7	119.307	C2	C3	C5	111.938
C2	C3	H9	109.399	C2	C3	H11	109.642
C3	C2	H8	117.197	C3	C5	C6	110.879
C3	C5	H13	109.165	C3	C5	H15	110.292
C4	C1	H7	117.197	C4	C6	C5	110.879
C4	C6	H14	109.165	C4	C6	H16	110.292
C5	C3	H9	110.175	C5	C3	H11	110.222
C5	C6	H14	109.096	C5	C6	H16	110.751
C6	C4	H10	110.175	C6	C4	H12	110.222
C6	C5	H13	109.096	C6	C5	H15	110.751
H9	C3	H11	105.247	H10	C4	H12	105.247
H13	C5	H15	106.543	H14	C6	H16	106.543

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: mPW1PW91/6-311G*

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	-0.181
2	C	-0.181
3	C	-0.458
4	C	-0.458
5	C	-0.452
6	C	-0.452
7	H	0.195
8	H	0.195
9	H	0.226
10	H	0.226
11	H	0.227
12	H	0.227
13	H	0.222
14	H	0.222
15	H	0.221
16	H	0.221

<r²>	153.587
(<r²>)^1/2	12.393

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)