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	hartrees
Energy at 0K	-232.326385
Energy at 298.15K	-232.337987
HF Energy	-231.725889
Nuclear repulsion energy	234.391047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3149	3012	37.49
2	A	3076	2943	30.47
3	A	3058	2925	2.92
4	A	3035	2903	17.40
5	A	3021	2890	0.49
6	A	1713	1639	0.48
7	A	1573	1505	1.25
8	A	1556	1488	0.38
9	A	1419	1357	0.37
10	A	1407	1346	0.49
11	A	1320	1262	0.38
12	A	1292	1236	0.00
13	A	1204	1152	0.19
14	A	1136	1086	0.17
15	A	1065	1019	0.19
16	A	1005	962	0.00
17	A	891	852	1.69
18	A	850	813	0.95
19	A	806	771	0.06
20	A	507	485	0.02
21	A	398	380	0.00
22	A	282	269	0.06
23	B	3122	2986	7.84
24	B	3086	2952	53.12
25	B	3057	2924	50.33
26	B	3034	2902	10.87
27	B	3021	2890	42.76
28	B	1569	1501	6.48
29	B	1564	1496	4.51
30	B	1462	1399	0.01
31	B	1415	1353	0.77
32	B	1396	1335	1.94
33	B	1333	1275	1.07
34	B	1214	1161	3.43
35	B	1054	1008	0.04
36	B	1048	1002	1.60
37	B	971	928	4.49
38	B	861	824	3.42
39	B	745	712	11.31
40	B	666	637	25.92
41	B	463	442	1.17
42	B	160	153	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.004	-0.672	1.318
C2	0.004	0.672	1.318
C3	0.000	1.518	0.042
C4	0.000	-1.518	0.042
C5	-0.396	0.668	-1.199
C6	0.396	-0.668	-1.199
H7	-0.022	-1.216	2.265
H8	0.022	1.216	2.265
H9	1.002	1.952	-0.116
H10	-1.002	-1.952	-0.116
H11	-0.703	2.358	0.161
H12	0.703	-2.358	0.161
H13	-1.474	0.445	-1.157
H14	1.474	-0.445	-1.157
H15	-0.202	1.235	-2.122
H16	0.202	-1.235	-2.122

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3432	2.5347	1.5316	2.8788	2.5495	1.0920	2.1119	3.1547	2.1658	3.3172	2.1640	3.0876	2.8921	3.9383	3.4923
C2	1.3432		1.5316	2.5347	2.5495	2.8788	2.1119	1.0920	2.1658	3.1547	2.1640	3.3172	2.8921	3.0876	3.4923	3.9383
C3	2.5347	1.5316		3.0367	1.5560	2.5454	3.5239	2.2431	1.1029	3.6154	1.1013	3.9410	2.1822	2.7321	2.1919	3.5079
C4	1.5316	2.5347	3.0367		2.5454	1.5560	2.2431	3.5239	3.6154	1.1029	3.9410	1.1013	2.7321	2.1822	3.5079	2.1919
C5	2.8788	2.5495	1.5560	2.5454		1.5536	3.9611	3.5321	2.1855	2.8992	2.1906	3.4949	1.1011	2.1766	1.1002	2.1980
C6	2.5495	2.8788	2.5454	1.5560	1.5536		3.5321	3.9611	2.8992	2.1855	3.4949	2.1906	2.1766	1.1011	2.1980	1.1002
H7	1.0920	2.1119	3.5239	2.2431	3.9611	3.5321		2.4328	4.0930	2.6772	4.2026	2.5010	4.0712	3.8133	5.0283	4.3925
H8	2.1119	1.0920	2.2431	3.5239	3.5321	3.9611	2.4328		2.6772	4.0930	2.5010	4.2026	3.8133	4.0712	4.3925	5.0283
H9	3.1547	2.1658	1.1029	3.6154	2.1855	2.8992	4.0930	2.6772		4.3879	1.7742	4.3287	3.0794	2.6556	2.4469	3.8499
H10	2.1658	3.1547	3.6154	1.1029	2.8992	2.1855	2.6772	4.0930	4.3879		4.3287	1.7742	2.6556	3.0794	3.8499	2.4469
H11	3.3172	2.1640	1.1013	3.9410	2.1906	3.4949	4.2026	2.5010	1.7742	4.3287		4.9204	2.4473	3.7855	2.5929	4.3518
H12	2.1640	3.3172	3.9410	1.1013	3.4949	2.1906	2.5010	4.2026	4.3287	1.7742	4.9204		3.7855	2.4473	4.3518	2.5929
H13	3.0876	2.8921	2.1822	2.7321	1.1011	2.1766	4.0712	3.8133	3.0794	2.6556	2.4473	3.7855		3.0788	1.7812	2.5614
H14	2.8921	3.0876	2.7321	2.1822	2.1766	1.1011	3.8133	4.0712	2.6556	3.0794	3.7855	2.4473	3.0788		2.5614	1.7812
H15	3.9383	3.4923	2.1919	3.5079	1.1002	2.1980	5.0283	4.3925	2.4469	3.8499	2.5929	4.3518	1.7812	2.5614		2.5029
H16	3.4923	3.9383	3.5079	2.1919	2.1980	1.1002	4.3925	5.0283	3.8499	2.4469	4.3518	2.5929	2.5614	1.7812	2.5029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.560	C1	C2	H8	119.923
C1	C4	C6	111.316	C1	C4	H10	109.517
C1	C4	H12	109.469	C2	C1	C4	123.560
C2	C1	H7	119.923	C2	C3	C5	111.316
C2	C3	H9	109.517	C2	C3	H11	109.469
C3	C2	H8	116.515	C3	C5	C6	109.878
C3	C5	H13	109.229	C3	C5	H15	110.030
C4	C1	H7	116.515	C4	C6	C5	109.878
C4	C6	H14	109.229	C4	C6	H16	110.030
C5	C3	H9	109.380	C5	C3	H11	109.864
C5	C6	H14	108.956	C5	C6	H16	110.675
C6	C4	H10	109.380	C6	C4	H12	109.864
C6	C5	H13	108.956	C6	C5	H15	110.675
H9	C3	H11	107.203	H10	C4	H12	107.203
H13	C5	H15	108.031	H14	C6	H16	108.031

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: CCD/3-21G*

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: CCD/3-21G*

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)