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	hartrees
Energy at 0K	-233.471865
Energy at 298.15K	-233.483520
HF Energy	-232.923239
Nuclear repulsion energy	234.469726

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3182	3023	52.00
2	A	3095	2941	44.15
3	A	3075	2921	1.85
4	A	3044	2892	23.43
5	A	3030	2879	0.40
6	A	1703	1618	1.24
7	A	1571	1493	1.00
8	A	1555	1478	0.24
9	A	1430	1359	0.02
10	A	1407	1337	0.35
11	A	1309	1243	0.67
12	A	1289	1225	0.04
13	A	1195	1136	0.06
14	A	1147	1089	0.04
15	A	1105	1050	0.13
16	A	990	940	0.00
17	A	921	875	1.04
18	A	862	819	0.91
19	A	833	792	0.14
20	A	510	484	0.03
21	A	406	386	0.00
22	A	279	265	0.06
23	B	3153	2996	11.13
24	B	3103	2948	71.20
25	B	3074	2920	68.96
26	B	3044	2892	18.64
27	B	3030	2879	63.37
28	B	1567	1489	5.70
29	B	1563	1485	3.25
30	B	1462	1389	0.41
31	B	1417	1346	0.27
32	B	1405	1335	3.07
33	B	1324	1258	1.16
34	B	1201	1141	4.37
35	B	1087	1032	1.18
36	B	1054	1001	0.85
37	B	978	929	4.01
38	B	896	851	3.68
39	B	751	714	10.57
40	B	670	637	25.44
41	B	463	440	0.95
42	B	161	153	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.007	-0.678	1.315
C2	0.007	0.678	1.315
C3	0.000	1.519	0.044
C4	0.000	-1.519	0.044
C5	-0.384	0.672	-1.196
C6	0.384	-0.672	-1.196
H7	-0.026	-1.216	2.266
H8	0.026	1.216	2.266
H9	0.994	1.974	-0.111
H10	-0.994	-1.974	-0.111
H11	-0.707	2.357	0.159
H12	0.707	-2.357	0.159
H13	-1.467	0.465	-1.173
H14	1.467	-0.465	-1.173
H15	-0.181	1.236	-2.120
H16	0.181	-1.236	-2.120

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3559	2.5379	1.5237	2.8756	2.5414	1.0930	2.1199	3.1732	2.1652	3.3224	2.1602	3.1028	2.8997	3.9355	3.4846
C2	1.3559		1.5237	2.5379	2.5414	2.8756	2.1199	1.0930	2.1652	3.1732	2.1602	3.3224	2.8997	3.1028	3.4846	3.9355
C3	2.5379	1.5237		3.0379	1.5506	2.5467	3.5239	2.2421	1.1046	3.6352	1.1024	3.9416	2.1786	2.7513	2.1899	3.5077
C4	1.5237	2.5379	3.0379		2.5467	1.5506	2.2421	3.5239	3.6352	1.1046	3.9416	1.1024	2.7513	2.1786	3.5077	2.1899
C5	2.8756	2.5414	1.5506	2.5467		1.5478	3.9597	3.5284	2.1852	2.9241	2.1862	3.4928	1.1028	2.1727	1.1010	2.1934
C6	2.5414	2.8756	2.5467	1.5506	1.5478		3.5284	3.9597	2.9241	2.1852	3.4928	2.1862	2.1727	1.1028	2.1934	1.1010
H7	1.0930	2.1199	3.5239	2.2421	3.9597	3.5284		2.4334	4.1072	2.6762	4.2041	2.5056	4.0902	3.8234	5.0269	4.3904
H8	2.1199	1.0930	2.2421	3.5239	3.5284	3.9597	2.4334		2.6762	4.1072	2.5056	4.2041	3.8234	4.0902	4.3904	5.0269
H9	3.1732	2.1652	1.1046	3.6352	2.1852	2.9241	4.1072	2.6762		4.4209	1.7647	4.3490	3.0768	2.7017	2.4418	3.8729
H10	2.1652	3.1732	3.6352	1.1046	2.9241	2.1852	2.6762	4.1072	4.4209		4.3490	1.7647	2.7017	3.0768	3.8729	2.4418
H11	3.3224	2.1602	1.1024	3.9416	2.1862	3.4928	4.2041	2.5056	1.7647	4.3490		4.9216	2.4356	3.8030	2.5931	4.3459
H12	2.1602	3.3224	3.9416	1.1024	3.4928	2.1862	2.5056	4.2041	4.3490	1.7647	4.9216		3.8030	2.4356	4.3459	2.5931
H13	3.1028	2.8997	2.1786	2.7513	1.1028	2.1727	4.0902	3.8234	3.0768	2.7017	2.4356	3.8030		3.0782	1.7734	2.5505
H14	2.8997	3.1028	2.7513	2.1786	2.1727	1.1028	3.8234	4.0902	2.7017	3.0768	3.8030	2.4356	3.0782		2.5505	1.7734
H15	3.9355	3.4846	2.1899	3.5077	1.1010	2.1934	5.0269	4.3904	2.4418	3.8729	2.5931	4.3459	1.7734	2.5505		2.4979
H16	3.4846	3.9355	3.5077	2.1899	2.1934	1.1010	4.3904	5.0269	3.8729	2.4418	4.3459	2.5931	2.5505	1.7734	2.4979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.496	C1	C2	H8	119.527
C1	C4	C6	111.509	C1	C4	H10	109.904
C1	C4	H12	109.644	C2	C1	C4	123.496
C2	C1	H7	119.527	C2	C3	C5	111.509
C2	C3	H9	109.904	C2	C3	H11	109.644
C3	C2	H8	116.977	C3	C5	C6	110.558
C3	C5	H13	109.218	C3	C5	H15	110.202
C4	C1	H7	116.977	C4	C6	C5	110.558
C4	C6	H14	109.218	C4	C6	H16	110.202
C5	C3	H9	109.626	C5	C3	H11	109.834
C5	C6	H14	108.951	C5	C6	H16	110.668
C6	C4	H10	109.626	C6	C4	H12	109.834
C6	C5	H13	108.951	C6	C5	H15	110.668
H9	C3	H11	106.183	H10	C4	H12	106.183
H13	C5	H15	107.163	H14	C6	H16	107.163

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: MP2=FULL/6-31G

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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All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: MP2=FULL/6-31G

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)