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	hartrees
Energy at 0K	-234.609116
Energy at 298.15K	-234.620696
Nuclear repulsion energy	237.081412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3161	3043	49.84
2	A	3074	2960	59.06
3	A	3049	2935	0.96
4	A	3024	2911	18.64
5	A	3003	2891	0.00
6	A	1731	1666	2.89
7	A	1511	1455	3.07
8	A	1482	1427	0.17
9	A	1390	1338	0.09
10	A	1383	1331	0.39
11	A	1280	1232	0.50
12	A	1256	1209	0.12
13	A	1168	1124	0.03
14	A	1099	1058	0.02
15	A	1084	1044	0.07
16	A	995	958	0.01
17	A	921	887	1.32
18	A	839	808	0.01
19	A	826	795	1.24
20	A	502	483	0.05
21	A	403	388	0.01
22	A	279	268	0.05
23	B	3136	3019	12.92
24	B	3079	2964	66.35
25	B	3049	2935	98.68
26	B	3028	2915	17.69
27	B	3003	2891	69.05
28	B	1500	1444	7.02
29	B	1490	1435	10.37
30	B	1426	1373	0.02
31	B	1381	1329	1.21
32	B	1355	1304	1.86
33	B	1304	1256	2.20
34	B	1169	1126	5.37
35	B	1058	1018	4.49
36	B	1018	980	1.54
37	B	934	899	5.50
38	B	894	861	6.77
39	B	730	703	10.54
40	B	653	629	30.77
41	B	457	440	1.51
42	B	169	163	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.009	-0.666	1.300
C2	0.009	0.666	1.300
C3	0.000	1.496	0.047
C4	0.000	-1.496	0.047
C5	-0.369	0.669	-1.186
C6	0.369	-0.669	-1.186
H7	-0.026	-1.200	2.249
H8	0.026	1.200	2.249
H9	0.987	1.962	-0.090
H10	-0.987	-1.962	-0.090
H11	-0.699	2.334	0.164
H12	0.699	-2.334	0.164
H13	-1.450	0.483	-1.185
H14	1.450	-0.483	-1.185
H15	-0.150	1.232	-2.100
H16	0.150	-1.232	-2.100

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3330	2.4994	1.5028	2.8442	2.5138	1.0890	2.0939	3.1355	2.1370	3.2814	2.1380	3.0939	2.8870	3.8960	3.4497
C2	1.3330		1.5028	2.4994	2.5138	2.8442	2.0939	1.0890	2.1370	3.1355	2.1380	3.2814	2.8870	3.0939	3.4497	3.8960
C3	2.4994	1.5028		2.9925	1.5293	2.5186	3.4811	2.2223	1.1002	3.5988	1.0972	3.8950	2.1554	2.7458	2.1679	3.4745
C4	1.5028	2.4994	2.9925		2.5186	1.5293	2.2223	3.4811	3.5988	1.1002	3.8950	1.0972	2.7458	2.1554	3.4745	2.1679
C5	2.8442	2.5138	1.5293	2.5186		1.5277	3.9250	3.4977	2.1703	2.9163	2.1683	3.4609	1.0976	2.1533	1.0953	2.1721
C6	2.5138	2.8442	2.5186	1.5293	1.5277		3.4977	3.9250	2.9163	2.1703	3.4609	2.1683	2.1533	1.0976	2.1721	1.0953
H7	1.0890	2.0939	3.4811	2.2223	3.9250	3.4977		2.3998	4.0611	2.6412	4.1576	2.4820	4.0806	3.8057	4.9838	4.3524
H8	2.0939	1.0890	2.2223	3.4811	3.4977	3.9250	2.3998		2.6412	4.0611	2.4820	4.1576	3.8057	4.0806	4.3524	4.9838
H9	3.1355	2.1370	1.1002	3.5988	2.1703	2.9163	4.0611	2.6412		4.3926	1.7455	4.3127	3.0539	2.7188	2.4220	3.8650
H10	2.1370	3.1355	3.5988	1.1002	2.9163	2.1703	2.6412	4.0611	4.3926		4.3127	1.7455	2.7188	3.0539	3.8650	2.4220
H11	3.2814	2.1380	1.0972	3.8950	2.1683	3.4609	4.1576	2.4820	1.7455	4.3127		4.8724	2.4097	3.7914	2.5766	4.3079
H12	2.1380	3.2814	3.8950	1.0972	3.4609	2.1683	2.4820	4.1576	4.3127	1.7455	4.8724		3.7914	2.4097	4.3079	2.5766
H13	3.0939	2.8870	2.1554	2.7458	1.0976	2.1533	4.0806	3.8057	3.0539	2.7188	2.4097	3.7914		3.0576	1.7571	2.5182
H14	2.8870	3.0939	2.7458	2.1554	2.1533	1.0976	3.8057	4.0806	2.7188	3.0539	3.7914	2.4097	3.0576		2.5182	1.7571
H15	3.8960	3.4497	2.1679	3.4745	1.0953	2.1721	4.9838	4.3524	2.4220	3.8650	2.5766	4.3079	1.7571	2.5182		2.4818
H16	3.4497	3.8960	3.4745	2.1679	2.1721	1.0953	4.3524	4.9838	3.8650	2.4220	4.3079	2.5766	2.5182	1.7571	2.4818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.508	C1	C2	H8	119.326
C1	C4	C6	112.000	C1	C4	H10	109.394
C1	C4	H12	109.652	C2	C1	C4	123.508
C2	C1	H7	119.326	C2	C3	C5	112.000
C2	C3	H9	109.394	C2	C3	H11	109.652
C3	C2	H8	117.166	C3	C5	C6	110.947
C3	C5	H13	109.165	C3	C5	H15	110.281
C4	C1	H7	117.166	C4	C6	C5	110.947
C4	C6	H14	109.165	C4	C6	H16	110.281
C5	C3	H9	110.178	C5	C3	H11	110.202
C5	C6	H14	109.107	C5	C6	H16	110.723
C6	C4	H10	110.178	C6	C4	H12	110.202
C6	C5	H13	109.107	C6	C5	H15	110.723
H9	C3	H11	105.189	H10	C4	H12	105.189
H13	C5	H15	106.498	H14	C6	H16	106.498

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: B3PW91/6-311G*

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	-0.454
4	C	-0.454
5	C	-0.447
6	C	-0.447
7	H	0.194
8	H	0.194
9	H	0.224
10	H	0.224
11	H	0.225
12	H	0.225
13	H	0.220
14	H	0.220
15	H	0.219
16	H	0.219

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)