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	hartrees
Energy at 0K	-232.949228
Energy at 298.15K	-232.961194
Nuclear repulsion energy	236.485858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3369	3034	69.03
2	A	3247	2924	83.90
3	A	3231	2909	3.47
4	A	3200	2882	31.20
5	A	3183	2866	6.65
6	A	1857	1672	3.33
7	A	1656	1491	2.48
8	A	1637	1474	0.65
9	A	1529	1377	0.74
10	A	1507	1357	0.72
11	A	1388	1250	0.65
12	A	1367	1231	0.20
13	A	1279	1151	0.09
14	A	1226	1104	0.14
15	A	1177	1060	0.04
16	A	1129	1017	0.03
17	A	976	879	4.94
18	A	909	819	0.84
19	A	872	785	0.11
20	A	542	488	0.07
21	A	436	393	0.03
22	A	293	264	0.03
23	B	3336	3004	15.22
24	B	3256	2931	132.84
25	B	3228	2906	116.82
26	B	3195	2877	41.51
27	B	3183	2866	109.24
28	B	1648	1484	7.28
29	B	1643	1479	10.56
30	B	1556	1401	1.06
31	B	1513	1362	1.34
32	B	1506	1356	3.43
33	B	1410	1269	2.96
34	B	1276	1149	8.20
35	B	1149	1034	1.28
36	B	1110	1000	2.96
37	B	1039	935	7.98
38	B	945	851	8.35
39	B	809	728	25.35
40	B	729	656	32.68
41	B	493	444	1.36
42	B	174	157	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	-0.006	-0.667	1.308
C2	0.006	0.667	1.308
C3	0.000	1.507	0.047
C4	0.000	-1.507	0.047
C5	-0.372	0.673	-1.193
C6	0.372	-0.673	-1.193
H7	-0.019	-1.196	2.245
H8	0.019	1.196	2.245
H9	0.981	1.958	-0.090
H10	-0.981	-1.958	-0.090
H11	-0.697	2.331	0.164
H12	0.697	-2.331	0.164
H13	-1.443	0.489	-1.194
H14	1.443	-0.489	-1.194
H15	-0.146	1.230	-2.096
H16	0.146	-1.230	-2.096

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3349	2.5139	1.5156	2.8617	2.5299	1.0760	2.0862	3.1339	2.1381	3.2829	2.1381	3.1089	2.8974	3.9004	3.4543
C2	1.3349		1.5156	2.5139	2.5299	2.8617	2.0862	1.0760	2.1381	3.1339	2.1381	3.2829	2.8974	3.1089	3.4543	3.9004
C3	2.5139	1.5156		3.0135	1.5393	2.5352	3.4846	2.2208	1.0880	3.6033	1.0859	3.9022	2.1583	2.7573	2.1654	3.4791
C4	1.5156	2.5139	3.0135		2.5352	1.5393	2.2208	3.4846	3.6033	1.0880	3.9022	1.0859	2.7573	2.1583	3.4791	2.1654
C5	2.8617	2.5299	1.5393	2.5352		1.5384	3.9298	3.5000	2.1671	2.9172	2.1667	3.4655	1.0866	2.1548	1.0850	2.1698
C6	2.5299	2.8617	2.5352	1.5393	1.5384		3.5000	3.9298	2.9172	2.1671	3.4655	2.1667	2.1548	1.0866	2.1698	1.0850
H7	1.0760	2.0862	3.4846	2.2208	3.9298	3.5000		2.3930	4.0502	2.6379	4.1513	2.4766	4.0862	3.8042	4.9754	4.3450
H8	2.0862	1.0760	2.2208	3.4846	3.5000	3.9298	2.3930		2.6379	4.0502	2.4766	4.1513	3.8042	4.0862	4.3450	4.9754
H9	3.1339	2.1381	1.0880	3.6033	2.1671	2.9172	4.0502	2.6379		4.3795	1.7375	4.3056	3.0416	2.7236	2.4131	3.8583
H10	2.1381	3.1339	3.6033	1.0880	2.9172	2.1671	2.6379	4.0502	4.3795		4.3056	1.7375	2.7236	3.0416	3.8583	2.4131
H11	3.2829	2.1381	1.0859	3.9022	2.1667	3.4655	4.1513	2.4766	1.7375	4.3056		4.8658	2.4073	3.7913	2.5736	4.3013
H12	2.1381	3.2829	3.9022	1.0859	3.4655	2.1667	2.4766	4.1513	4.3056	1.7375	4.8658		3.7913	2.4073	4.3013	2.5736
H13	3.1089	2.8974	2.1583	2.7573	1.0866	2.1548	4.0862	3.8042	3.0416	2.7236	2.4073	3.7913		3.0465	1.7452	2.5083
H14	2.8974	3.1089	2.7573	2.1583	2.1548	1.0866	3.8042	4.0862	2.7236	3.0416	3.7913	2.4073	3.0465		2.5083	1.7452
H15	3.9004	3.4543	2.1654	3.4791	1.0850	2.1698	4.9754	4.3450	2.4131	3.8583	2.5736	4.3013	1.7452	2.5083		2.4779
H16	3.4543	3.9004	3.4791	2.1654	2.1698	1.0850	4.3450	4.9754	3.8583	2.4131	4.3013	2.5736	2.5083	1.7452	2.4779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.623	C1	C2	H8	119.448
C1	C4	C6	111.815	C1	C4	H10	109.314
C1	C4	H12	109.434	C2	C1	C4	123.623
C2	C1	H7	119.448	C2	C3	C5	111.815
C2	C3	H9	109.314	C2	C3	H11	109.434
C3	C2	H8	116.929	C3	C5	C6	110.919
C3	C5	H13	109.341	C3	C5	H15	109.999
C4	C1	H7	116.929	C4	C6	C5	110.919
C4	C6	H14	109.341	C4	C6	H16	109.999
C5	C3	H9	109.949	C5	C3	H11	110.046
C5	C6	H14	109.129	C5	C6	H16	110.404
C6	C4	H10	109.949	C6	C4	H12	110.046
C6	C5	H13	109.129	C6	C5	H15	110.404
H9	C3	H11	106.118	H10	C4	H12	106.118
H13	C5	H15	106.956	H14	C6	H16	106.956

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: HF/SDD

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	-0.188
2	C	-0.188
3	C	-0.349
4	C	-0.349
5	C	-0.349
6	C	-0.349
7	H	0.191
8	H	0.191
9	H	0.173
10	H	0.173
11	H	0.180
12	H	0.180
13	H	0.162
14	H	0.162
15	H	0.181
16	H	0.181

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)