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	hartrees
Energy at 0K	-233.698973
Energy at 298.15K	-233.710793
HF Energy	-233.019400
Nuclear repulsion energy	237.746647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3294	3050	42.52
2	A	3201	2963	49.64
3	A	3181	2945	1.25
4	A	3153	2919	18.90
5	A	3137	2904	0.40
6	A	1840	1703	1.50
7	A	1606	1487	0.96
8	A	1580	1463	0.18
9	A	1480	1370	0.18
10	A	1474	1365	0.13
11	A	1346	1246	0.81
12	A	1324	1226	0.08
13	A	1233	1142	0.06
14	A	1171	1084	0.04
15	A	1141	1056	0.08
16	A	1061	982	0.00
17	A	965	893	0.86
18	A	880	815	0.38
19	A	870	806	0.57
20	A	523	484	0.01
21	A	422	391	0.01
22	A	294	272	0.05
23	B	3270	3027	9.28
24	B	3206	2968	66.07
25	B	3179	2944	79.48
26	B	3154	2920	16.85
27	B	3137	2904	65.49
28	B	1593	1475	3.67
29	B	1588	1470	4.96
30	B	1509	1397	0.07
31	B	1475	1366	2.31
32	B	1435	1328	1.25
33	B	1368	1266	2.44
34	B	1230	1139	5.54
35	B	1110	1028	2.69
36	B	1077	997	1.26
37	B	996	922	5.00
38	B	939	869	3.80
39	B	776	718	12.89
40	B	692	641	19.87
41	B	476	441	0.92
42	B	177	164	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.006	-0.664	1.298
C2	0.006	0.664	1.298
C3	0.000	1.494	0.043
C4	0.000	-1.494	0.043
C5	-0.376	0.663	-1.181
C6	0.376	-0.663	-1.181
H7	-0.022	-1.196	2.241
H8	0.022	1.196	2.241
H9	0.986	1.945	-0.099
H10	-0.986	-1.945	-0.099
H11	-0.694	2.329	0.159
H12	0.694	-2.329	0.159
H13	-1.450	0.466	-1.166
H14	1.450	-0.466	-1.166
H15	-0.170	1.224	-2.094
H16	0.170	-1.224	-2.094

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3275	2.4960	1.5043	2.8359	2.5079	1.0828	2.0849	3.1209	2.1339	3.2747	2.1348	3.0708	2.8684	3.8845	3.4417
C2	1.3275		1.5043	2.4960	2.5079	2.8359	2.0849	1.0828	2.1339	3.1209	2.1348	3.2747	2.8684	3.0708	3.4417	3.8845
C3	2.4960	1.5043		2.9885	1.5266	2.5092	3.4733	2.2177	1.0939	3.5808	1.0915	3.8872	2.1499	2.7212	2.1608	3.4615
C4	1.5043	2.4960	2.9885		2.5092	1.5266	2.2177	3.4733	3.5808	1.0939	3.8872	1.0915	2.7212	2.1499	3.4615	2.1608
C5	2.8359	2.5079	1.5266	2.5092		1.5249	3.9102	3.4857	2.1609	2.8894	2.1614	3.4489	1.0920	2.1463	1.0902	2.1660
C6	2.5079	2.8359	2.5092	1.5266	1.5249		3.4857	3.9102	2.8894	2.1609	3.4489	2.1614	2.1463	1.0920	2.1660	1.0902
H7	1.0828	2.0849	3.4733	2.2177	3.9102	3.4857		2.3914	4.0439	2.6393	4.1478	2.4756	4.0502	3.7821	4.9659	4.3387
H8	2.0849	1.0828	2.2177	3.4733	3.4857	3.9102	2.3914		2.6393	4.0439	2.4756	4.1478	3.7821	4.0502	4.3387	4.9659
H9	3.1209	2.1339	1.0939	3.5808	2.1609	2.8894	4.0439	2.6393		4.3618	1.7429	4.2916	3.0434	2.6767	2.4162	3.8321
H10	2.1339	3.1209	3.5808	1.0939	2.8894	2.1609	2.6393	4.0439	4.3618		4.2916	1.7429	2.6767	3.0434	3.8321	2.4162
H11	3.2747	2.1348	1.0915	3.8872	2.1614	3.4489	4.1478	2.4756	1.7429	4.2916		4.8599	2.4083	3.7629	2.5636	4.2944
H12	2.1348	3.2747	3.8872	1.0915	3.4489	2.1614	2.4756	4.1478	4.2916	1.7429	4.8599		3.7629	2.4083	4.2944	2.5636
H13	3.0708	2.8684	2.1499	2.7212	1.0920	2.1463	4.0502	3.7821	3.0434	2.6767	2.4083	3.7629		3.0450	1.7525	2.5173
H14	2.8684	3.0708	2.7212	2.1499	2.1463	1.0920	3.7821	4.0502	2.6767	3.0434	3.7629	2.4083	3.0450		2.5173	1.7525
H15	3.8845	3.4417	2.1608	3.4615	1.0902	2.1660	4.9659	4.3387	2.4162	3.8321	2.5636	4.2944	1.7525	2.5173		2.4706
H16	3.4417	3.8845	3.4615	2.1608	2.1660	1.0902	4.3387	4.9659	3.8321	2.4162	4.2944	2.5636	2.5173	1.7525	2.4706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.507	C1	C2	H8	119.421
C1	C4	C6	111.668	C1	C4	H10	109.412
C1	C4	H12	109.627	C2	C1	C4	123.507
C2	C1	H7	119.421	C2	C3	C5	111.668
C2	C3	H9	109.412	C2	C3	H11	109.627
C3	C2	H8	117.072	C3	C5	C6	110.625
C3	C5	H13	109.248	C3	C5	H15	110.206
C4	C1	H7	117.072	C4	C6	C5	110.625
C4	C6	H14	109.248	C4	C6	H16	110.206
C5	C3	H9	109.998	C5	C3	H11	110.176
C5	C6	H14	109.079	C5	C6	H16	110.740
C6	C4	H10	109.998	C6	C4	H12	110.176
C6	C5	H13	109.079	C6	C5	H15	110.740
H9	C3	H11	105.788	H10	C4	H12	105.788
H13	C5	H15	106.850	H14	C6	H16	106.850

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)