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	hartrees
Energy at 0K	-234.553897
Energy at 298.15K	-234.565307
Nuclear repulsion energy	234.727635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3063	3055	61.13
2	A	2977	2970	71.77
3	A	2950	2943	1.51
4	A	2932	2925	15.04
5	A	2906	2899	0.06
6	A	1656	1652	3.13
7	A	1481	1477	2.31
8	A	1454	1450	0.01
9	A	1351	1347	0.16
10	A	1338	1335	0.31
11	A	1245	1242	0.74
12	A	1220	1217	0.04
13	A	1137	1134	0.01
14	A	1070	1068	0.00
15	A	1032	1030	0.15
16	A	951	949	0.01
17	A	879	877	0.99
18	A	810	808	0.71
19	A	795	793	0.12
20	A	490	489	0.04
21	A	390	389	0.00
22	A	273	272	0.04
23	B	3038	3031	16.67
24	B	2981	2973	79.60
25	B	2951	2944	125.23
26	B	2937	2929	15.41
27	B	2906	2899	70.61
28	B	1472	1468	5.13
29	B	1461	1457	6.82
30	B	1387	1384	0.37
31	B	1332	1329	2.00
32	B	1326	1323	1.76
33	B	1269	1266	1.57
34	B	1142	1139	4.36
35	B	1018	1016	3.38
36	B	990	988	1.59
37	B	912	910	4.61
38	B	850	848	5.57
39	B	709	707	7.28
40	B	634	633	28.96
41	B	451	450	1.17
42	B	163	163	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	-0.008	-0.672	1.315
C2	0.008	0.672	1.315
C3	0.000	1.512	0.051
C4	0.000	-1.512	0.051
C5	-0.366	0.680	-1.202
C6	0.366	-0.680	-1.202
H7	-0.024	-1.210	2.268
H8	0.024	1.210	2.268
H9	0.992	1.984	-0.084
H10	-0.992	-1.984	-0.084
H11	-0.705	2.353	0.167
H12	0.705	-2.353	0.167
H13	-1.456	0.504	-1.214
H14	1.456	-0.504	-1.214
H15	-0.132	1.247	-2.118
H16	0.132	-1.247	-2.118

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3432	2.5227	1.5179	2.8796	2.5449	1.0954	2.1100	3.1634	2.1559	3.3091	2.1569	3.1422	2.9266	3.9342	3.4831
C2	1.3432		1.5179	2.5227	2.5449	2.8796	2.1100	1.0954	2.1559	3.1634	2.1569	3.3091	2.9266	3.1422	3.4831	3.9342
C3	2.5227	1.5179		3.0230	1.5477	2.5510	3.5111	2.2383	1.1070	3.6358	1.1039	3.9298	2.1760	2.7892	2.1882	3.5111
C4	1.5179	2.5227	3.0230		2.5510	1.5477	2.2383	3.5111	3.6358	1.1070	3.9298	1.1039	2.7892	2.1760	3.5111	2.1882
C5	2.8796	2.5449	1.5477	2.5510		1.5452	3.9671	3.5327	2.1899	2.9561	2.1879	3.4960	1.1038	2.1732	1.1018	2.1909
C6	2.5449	2.8796	2.5510	1.5477	1.5452		3.5327	3.9671	2.9561	2.1899	3.4960	2.1879	2.1732	1.1038	2.1909	1.1018
H7	1.0954	2.1100	3.5111	2.2383	3.9671	3.5327		2.4213	4.0949	2.6589	4.1924	2.5005	4.1371	3.8491	5.0287	4.3889
H8	2.1100	1.0954	2.2383	3.5111	3.5327	3.9671	2.4213		2.6589	4.0949	2.5005	4.1924	3.8491	4.1371	4.3889	5.0287
H9	3.1634	2.1559	1.1070	3.6358	2.1899	2.9561	4.0949	2.6589		4.4360	1.7552	4.3531	3.0758	2.7710	2.4376	3.9131
H10	2.1559	3.1634	3.6358	1.1070	2.9561	2.1899	2.6589	4.0949	4.4360		4.3531	1.7552	2.7710	3.0758	3.9131	2.4376
H11	3.3091	2.1569	1.1039	3.9298	2.1879	3.4960	4.1924	2.5005	1.7552	4.3531		4.9122	2.4268	3.8388	2.6020	4.3448
H12	2.1569	3.3091	3.9298	1.1039	3.4960	2.1879	2.5005	4.1924	4.3531	1.7552	4.9122		3.8388	2.4268	4.3448	2.6020
H13	3.1422	2.9266	2.1760	2.7892	1.1038	2.1732	4.1371	3.8491	3.0758	2.7710	2.4268	3.8388		3.0813	1.7671	2.5304
H14	2.9266	3.1422	2.7892	2.1760	2.1732	1.1038	3.8491	4.1371	2.7710	3.0758	3.8388	2.4268	3.0813		2.5304	1.7671
H15	3.9342	3.4831	2.1882	3.5111	1.1018	2.1909	5.0287	4.3889	2.4376	3.9131	2.6020	4.3448	1.7671	2.5304		2.5079
H16	3.4831	3.9342	3.5111	2.1882	2.1909	1.1018	4.3889	5.0287	3.9131	2.4376	4.3448	2.6020	2.5304	1.7671	2.5079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.593	C1	C2	H8	119.475
C1	C4	C6	112.225	C1	C4	H10	109.439
C1	C4	H12	109.703	C2	C1	C4	123.593
C2	C1	H7	119.475	C2	C3	C5	112.225
C2	C3	H9	109.439	C2	C3	H11	109.703
C3	C2	H8	116.932	C3	C5	C6	111.137
C3	C5	H13	109.152	C3	C5	H15	110.227
C4	C1	H7	116.932	C4	C6	C5	111.137
C4	C6	H14	109.152	C4	C6	H16	110.227
C5	C3	H9	110.051	C5	C3	H11	110.080
C5	C6	H14	109.110	C5	C6	H16	110.606
C6	C4	H10	110.051	C6	C4	H12	110.080
C6	C5	H13	109.110	C6	C5	H15	110.606
H9	C3	H11	105.097	H10	C4	H12	105.097
H13	C5	H15	106.482	H14	C6	H16	106.482

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: BLYP/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	-0.154
2	C	-0.154
3	C	-0.399
4	C	-0.399
5	C	-0.386
6	C	-0.386
7	H	0.166
8	H	0.166
9	H	0.195
10	H	0.195
11	H	0.196
12	H	0.196
13	H	0.191
14	H	0.191
15	H	0.191
16	H	0.191

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)