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	hartrees
Energy at 0K	-232.948006
Energy at 298.15K	-232.959969
Nuclear repulsion energy	236.457518

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3371	3033	70.03
2	A	3249	2923	84.80
3	A	3233	2909	3.70
4	A	3202	2881	31.94
5	A	3185	2866	6.88
6	A	1857	1672	3.36
7	A	1656	1490	2.42
8	A	1637	1473	0.64
9	A	1530	1376	0.68
10	A	1507	1356	0.71
11	A	1388	1249	0.65
12	A	1367	1230	0.20
13	A	1279	1151	0.09
14	A	1226	1103	0.14
15	A	1177	1059	0.04
16	A	1129	1016	0.03
17	A	976	878	4.91
18	A	909	818	0.83
19	A	872	784	0.11
20	A	542	488	0.06
21	A	436	392	0.03
22	A	293	264	0.03
23	B	3338	3004	15.54
24	B	3257	2931	137.50
25	B	3230	2906	118.62
26	B	3196	2876	43.18
27	B	3184	2866	110.52
28	B	1648	1483	7.12
29	B	1643	1479	10.38
30	B	1557	1401	1.01
31	B	1513	1362	1.41
32	B	1506	1356	3.40
33	B	1409	1268	2.93
34	B	1275	1148	8.15
35	B	1148	1034	1.30
36	B	1110	999	2.93
37	B	1039	935	8.03
38	B	945	850	8.34
39	B	809	728	25.61
40	B	729	656	32.73
41	B	494	444	1.33
42	B	174	157	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.006	-0.668	1.309
C2	0.006	0.668	1.309
C3	0.000	1.507	0.046
C4	0.000	-1.507	0.046
C5	-0.372	0.673	-1.193
C6	0.372	-0.673	-1.193
H7	-0.019	-1.196	2.246
H8	0.019	1.196	2.246
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	-1.195
H14	1.443	-0.489	-1.195
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		1.3353	2.5144	1.5158	2.8621	2.5302	1.0760	2.0864	3.1344	2.1383	3.2834	2.1382	3.1094	2.8978	3.9009	3.4546
C2	1.3353		1.5158	2.5144	2.5302	2.8621	2.0864	1.0760	2.1383	3.1344	2.1382	3.2834	2.8978	3.1094	3.4546	3.9009
C3	2.5144	1.5158		3.0139	1.5395	2.5356	3.4850	2.2211	1.0880	3.6039	1.0859	3.9026	2.1584	2.7577	2.1656	3.4795
C4	1.5158	2.5144	3.0139		2.5356	1.5395	2.2211	3.4850	3.6039	1.0880	3.9026	1.0859	2.7577	2.1584	3.4795	2.1656
C5	2.8621	2.5302	1.5395	2.5356		1.5386	3.9302	3.5004	2.1672	2.9177	2.1669	3.4658	1.0867	2.1550	1.0850	2.1699
C6	2.5302	2.8621	2.5356	1.5395	1.5386		3.5004	3.9302	2.9177	2.1672	3.4658	2.1669	2.1550	1.0867	2.1699	1.0850
H7	1.0760	2.0864	3.4850	2.2211	3.9302	3.5004		2.3931	4.0506	2.6382	4.1517	2.4769	4.0868	3.8046	4.9759	4.3454
H8	2.0864	1.0760	2.2211	3.4850	3.5004	3.9302	2.3931		2.6382	4.0506	2.4769	4.1517	3.8046	4.0868	4.3454	4.9759
H9	3.1344	2.1383	1.0880	3.6039	2.1672	2.9177	4.0506	2.6382		4.3801	1.7375	4.3061	3.0417	2.7242	2.4132	3.8587
H10	2.1383	3.1344	3.6039	1.0880	2.9177	2.1672	2.6382	4.0506	4.3801		4.3061	1.7375	2.7242	3.0417	3.8587	2.4132
H11	3.2834	2.1382	1.0859	3.9026	2.1669	3.4658	4.1517	2.4769	1.7375	4.3061		4.8663	2.4074	3.7917	2.5738	4.3016
H12	2.1382	3.2834	3.9026	1.0859	3.4658	2.1669	2.4769	4.1517	4.3061	1.7375	4.8663		3.7917	2.4074	4.3016	2.5738
H13	3.1094	2.8978	2.1584	2.7577	1.0867	2.1550	4.0868	3.8046	3.0417	2.7242	2.4074	3.7917		3.0467	1.7451	2.5085
H14	2.8978	3.1094	2.7577	2.1584	2.1550	1.0867	3.8046	4.0868	2.7242	3.0417	3.7917	2.4074	3.0467		2.5085	1.7451
H15	3.9009	3.4546	2.1656	3.4795	1.0850	2.1699	4.9759	4.3454	2.4132	3.8587	2.5738	4.3016	1.7451	2.5085		2.4781
H16	3.4546	3.9009	3.4795	2.1656	2.1699	1.0850	4.3454	4.9759	3.8587	2.4132	4.3016	2.5738	2.5085	1.7451	2.4781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.620	C1	C2	H8	119.440
C1	C4	C6	111.817	C1	C4	H10	109.312
C1	C4	H12	109.431	C2	C1	C4	123.620
C2	C1	H7	119.440	C2	C3	C5	111.817
C2	C3	H9	109.312	C2	C3	H11	109.431
C3	C2	H8	116.941	C3	C5	C6	110.926
C3	C5	H13	109.339	C3	C5	H15	109.999
C4	C1	H7	116.941	C4	C6	C5	110.926
C4	C6	H14	109.339	C4	C6	H16	109.999
C5	C3	H9	109.951	C5	C3	H11	110.048
C5	C6	H14	109.129	C5	C6	H16	110.404
C6	C4	H10	109.951	C6	C4	H12	110.048
C6	C5	H13	109.129	C6	C5	H15	110.404
H9	C3	H11	106.116	H10	C4	H12	106.116
H13	C5	H15	106.951	H14	C6	H16	106.951

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: HF/LANL2DZ

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	-0.193
2	C	-0.193
3	C	-0.335
4	C	-0.335
5	C	-0.338
6	C	-0.338
7	H	0.189
8	H	0.189
9	H	0.169
10	H	0.169
11	H	0.175
12	H	0.175
13	H	0.158
14	H	0.158
15	H	0.176
16	H	0.176

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)