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	hartrees
Energy at 0K	-232.326385
Energy at 298.15K	-232.338004
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	3062	37.49
2	A	3076	2991	30.47
3	A	3058	2974	2.92
4	A	3035	2951	17.40
5	A	3021	2938	0.49
6	A	1713	1666	0.48
7	A	1573	1529	1.25
8	A	1556	1513	0.38
9	A	1419	1380	0.37
10	A	1407	1368	0.49
11	A	1320	1283	0.38
12	A	1292	1256	0.00
13	A	1204	1171	0.19
14	A	1136	1104	0.17
15	A	1065	1036	0.19
16	A	1005	977	0.00
17	A	891	866	1.69
18	A	850	826	0.95
19	A	806	784	0.06
20	A	507	493	0.02
21	A	398	387	0.00
22	A	282	274	0.06
23	B	3122	3035	7.84
24	B	3086	3001	53.12
25	B	3057	2972	50.33
26	B	3034	2950	10.87
27	B	3021	2938	42.76
28	B	1569	1525	6.48
29	B	1564	1521	4.51
30	B	1462	1422	0.01
31	B	1415	1376	0.77
32	B	1396	1357	1.94
33	B	1333	1296	1.07
34	B	1214	1181	3.43
35	B	1054	1025	0.04
36	B	1048	1019	1.60
37	B	971	944	4.49
38	B	861	837	3.42
39	B	745	724	11.31
40	B	666	647	25.92
41	B	463	450	1.17
42	B	160	156	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)