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	hartrees
Energy at 0K	-233.768077
Energy at 298.15K
Nuclear repulsion energy	237.714839

Atom	x (Å)	y (Å)	z (Å)
C1	-0.006	-0.664	1.298
C2	0.006	0.664	1.298
C3	0.000	1.495	0.043
C4	0.000	-1.495	0.043
C5	-0.375	0.664	-1.182
C6	0.375	-0.664	-1.182
H7	-0.022	-1.193	2.243
H8	0.022	1.193	2.243
H9	0.986	1.945	-0.097
H10	-0.986	-1.945	-0.097
H11	-0.693	2.328	0.160
H12	0.693	-2.328	0.160
H13	-1.449	0.468	-1.168
H14	1.449	-0.468	-1.168
H15	-0.169	1.223	-2.093
H16	0.169	-1.223	-2.093

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3276	2.4970	1.5056	2.8374	2.5095	1.0825	2.0831	3.1205	2.1331	3.2743	2.1344	3.0732	2.8700	3.8850	3.4422
C2	1.3276		1.5056	2.4970	2.5095	2.8374	2.0831	1.0825	2.1331	3.1205	2.1344	3.2743	2.8700	3.0732	3.4422	3.8850
C3	2.4970	1.5056		2.9891	1.5267	2.5099	3.4731	2.2205	1.0929	3.5808	1.0904	3.8868	2.1491	2.7230	2.1600	3.4611
C4	1.5056	2.4970	2.9891		2.5099	1.5267	2.2205	3.4731	3.5808	1.0929	3.8868	1.0904	2.7230	2.1491	3.4611	2.1600
C5	2.8374	2.5095	1.5267	2.5099		1.5252	3.9114	3.4878	2.1610	2.8905	2.1612	3.4487	1.0912	2.1466	1.0893	2.1654
C6	2.5095	2.8374	2.5099	1.5267	1.5252		3.4878	3.9114	2.8905	2.1610	3.4487	2.1612	2.1466	1.0912	2.1654	1.0893
H7	1.0825	2.0831	3.4731	2.2205	3.9114	3.4878		2.3863	4.0421	2.6400	4.1458	2.4777	4.0526	3.7842	4.9660	4.3404
H8	2.0831	1.0825	2.2205	3.4731	3.4878	3.9114	2.3863		2.6400	4.0421	2.4777	4.1458	3.7842	4.0526	4.3404	4.9660
H9	3.1205	2.1331	1.0929	3.5808	2.1610	2.8905	4.0421	2.6400		4.3612	1.7410	4.2910	3.0422	2.6798	2.4164	3.8327
H10	2.1331	3.1205	3.5808	1.0929	2.8905	2.1610	2.6400	4.0421	4.3612		4.2910	1.7410	2.6798	3.0422	3.8327	2.4164
H11	3.2743	2.1344	1.0904	3.8868	2.1612	3.4487	4.1458	2.4777	1.7410	4.2910		4.8583	2.4072	3.7638	2.5635	4.2934
H12	2.1344	3.2743	3.8868	1.0904	3.4487	2.1612	2.4777	4.1458	4.2910	1.7410	4.8583		3.7638	2.4072	4.2934	2.5635
H13	3.0732	2.8700	2.1491	2.7230	1.0912	2.1466	4.0526	3.7842	3.0422	2.6798	2.4072	3.7638		3.0447	1.7507	2.5168
H14	2.8700	3.0732	2.7230	2.1491	2.1466	1.0912	3.7842	4.0526	2.6798	3.0422	3.7638	2.4072	3.0447		2.5168	1.7507
H15	3.8850	3.4422	2.1600	3.4611	1.0893	2.1654	4.9660	4.3404	2.4164	3.8327	2.5635	4.2934	1.7507	2.5168		2.4700
H16	3.4422	3.8850	3.4611	2.1600	2.1654	1.0893	4.3404	4.9660	3.8327	2.4164	4.2934	2.5635	2.5168	1.7507	2.4700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.486	C1	C2	H8	119.274
C1	C4	C6	111.699	C1	C4	H10	109.324
C1	C4	H12	109.575	C2	C1	C4	123.486
C2	C1	H7	119.274	C2	C3	C5	111.699
C2	C3	H9	109.324	C2	C3	H11	109.575
C3	C2	H8	117.239	C3	C5	C6	110.651
C3	C5	H13	109.224	C3	C5	H15	110.202
C4	C1	H7	117.239	C4	C6	C5	110.651
C4	C6	H14	109.224	C4	C6	H16	110.202
C5	C3	H9	110.067	C5	C3	H11	110.228
C5	C6	H14	109.124	C5	C6	H16	110.731
C6	C4	H10	110.067	C6	C4	H12	110.228
C6	C5	H13	109.124	C6	C5	H15	110.731
H9	C3	H11	105.772	H10	C4	H12	105.772
H13	C5	H15	106.815	H14	C6	H16	106.815

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: CISD/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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All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: CISD/6-311G*

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)