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	hartrees
Energy at 0K	-234.456399
Energy at 298.15K	-234.449854
HF Energy	-234.666511
Nuclear repulsion energy	236.462728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3161	3050	43.16
2	A	3067	2960	51.25
3	A	3038	2932	1.32
4	A	3017	2911	15.32
5	A	2993	2888	0.01
6	A	1725	1665	2.68
7	A	1500	1447	0.80
8	A	1472	1421	0.01
9	A	1384	1336	1.30
10	A	1372	1324	0.10
11	A	1267	1223	0.83
12	A	1248	1204	0.10
13	A	1153	1113	0.01
14	A	1096	1058	0.00
15	A	1075	1037	0.16
16	A	1008	972	0.02
17	A	912	880	0.48
18	A	829	800	0.13
19	A	822	794	0.67
20	A	498	481	0.00
21	A	398	384	0.01
22	A	274	265	0.07
23	B	3136	3026	8.87
24	B	3072	2964	55.87
25	B	3038	2932	93.76
26	B	3021	2915	10.81
27	B	2993	2888	61.76
28	B	1490	1438	2.93
29	B	1478	1426	3.64
30	B	1420	1370	0.55
31	B	1368	1320	2.47
32	B	1350	1303	1.25
33	B	1291	1246	1.60
34	B	1158	1118	4.09
35	B	1048	1012	3.80
36	B	1015	980	1.01
37	B	934	902	3.38
38	B	884	853	4.46
39	B	732	706	7.52
40	B	657	634	15.80
41	B	452	436	1.10
42	B	164	158	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	-0.119	-0.656	1.304
C2	0.119	0.656	1.304
C3	0.251	1.480	0.048
C4	-0.251	-1.480	0.048
C5	-0.251	0.725	-1.191
C6	0.251	-0.725	-1.191
H7	-0.225	-1.182	2.250
H8	0.225	1.182	2.250
H9	1.304	1.772	-0.088
H10	-1.304	-1.772	-0.088
H11	-0.297	2.423	0.165
H12	0.297	-2.423	0.165
H13	-1.349	0.723	-1.191
H14	1.349	-0.723	-1.191
H15	0.062	1.243	-2.104
H16	-0.062	-1.243	-2.104

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3330	2.5048	1.5077	2.8550	2.5240	1.0879	2.0956	3.1398	2.1420	3.2873	2.1432	3.1043	2.8957	3.9057	3.4589
C2	1.3330		1.5077	2.5048	2.5240	2.8550	2.0956	1.0879	2.1420	3.1398	2.1432	3.2873	2.8957	3.1043	3.4589	3.9057
C3	2.5048	1.5077		3.0016	1.5363	2.5290	3.4872	2.2220	1.1007	3.6071	1.0976	3.9045	2.1610	2.7552	2.1736	3.4850
C4	1.5077	2.5048	3.0016		2.5290	1.5363	2.2220	3.4872	3.6071	1.1007	3.9045	1.0976	2.7552	2.1610	3.4850	2.1736
C5	2.8550	2.5240	1.5363	2.5290		1.5339	3.9347	3.5047	2.1755	2.9255	2.1743	3.4712	1.0979	2.1580	1.0953	2.1775
C6	2.5240	2.8550	2.5290	1.5363	1.5339		3.5047	3.9347	2.9255	2.1755	3.4712	2.1743	2.1580	1.0979	2.1775	1.0953
H7	1.0879	2.0956	3.4872	2.2220	3.9347	3.5047		2.4068	4.0663	2.6419	4.1651	2.4818	4.0904	3.8118	4.9925	4.3577
H8	2.0956	1.0879	2.2220	3.4872	3.5047	3.9347	2.4068		2.6419	4.0663	2.4818	4.1651	3.8118	4.0904	4.3577	4.9925
H9	3.1398	2.1420	1.1007	3.6071	2.1755	2.9255	4.0663	2.6419		4.4001	1.7468	4.3215	3.0585	2.7280	2.4259	3.8757
H10	2.1420	3.1398	3.6071	1.1007	2.9255	2.1755	2.6419	4.0663	4.4001		4.3215	1.7468	2.7280	3.0585	3.8757	2.4259
H11	3.2873	2.1432	1.0976	3.9045	2.1743	3.4712	4.1651	2.4818	1.7468	4.3215		4.8822	2.4157	3.8007	2.5827	4.3183
H12	2.1432	3.2873	3.9045	1.0976	3.4712	2.1743	2.4818	4.1651	4.3215	1.7468	4.8822		3.8007	2.4157	4.3183	2.5827
H13	3.1043	2.8957	2.1610	2.7552	1.0979	2.1580	4.0904	3.8118	3.0585	2.7280	2.4157	3.8007		3.0613	1.7596	2.5215
H14	2.8957	3.1043	2.7552	2.1610	2.1580	1.0979	3.8118	4.0904	2.7280	3.0585	3.8007	2.4157	3.0613		2.5215	1.7596
H15	3.9057	3.4589	2.1736	3.4850	1.0953	2.1775	4.9925	4.3577	2.4259	3.8757	2.5827	4.3183	1.7596	2.5215		2.4899
H16	3.4589	3.9057	3.4850	2.1736	2.1775	1.0953	4.3577	4.9925	3.8757	2.4259	4.3183	2.5827	2.5215	1.7596	2.4899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.627	C1	C2	H8	119.672
C1	C4	C6	111.935	C1	C4	H10	109.298
C1	C4	H12	109.636	C2	C1	C4	123.627
C2	C1	H7	119.672	C2	C3	C5	111.935
C2	C3	H9	109.298	C2	C3	H11	109.636
C3	C2	H8	116.701	C3	C5	C6	110.948
C3	C5	H13	109.124	C3	C5	H15	110.217
C4	C1	H7	116.701	C4	C6	C5	110.948
C4	C6	H14	109.124	C4	C6	H16	110.217
C5	C3	H9	110.055	C5	C3	H11	110.238
C5	C6	H14	109.016	C5	C6	H16	110.688
C6	C4	H10	110.055	C6	C4	H12	110.238
C6	C5	H13	109.016	C6	C5	H15	110.688
H9	C3	H11	105.473	H10	C4	H12	105.473
H13	C5	H15	106.737	H14	C6	H16	106.737

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: G4

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: G4

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)