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	hartrees
Energy at 0K	-39.105094
Energy at 298.15K	-39.116576
HF Energy	-38.624033
Nuclear repulsion energy	125.797509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3160	3053	75.21
2	A	3102	2997	57.20
3	A	3082	2978	1.86
4	A	3036	2934	50.58
5	A	3018	2917	1.63
6	A	1655	1599	2.32
7	A	1522	1470	1.52
8	A	1507	1457	0.22
9	A	1411	1363	0.04
10	A	1390	1343	0.34
11	A	1281	1238	0.93
12	A	1253	1211	0.04
13	A	1168	1129	0.09
14	A	1120	1083	0.18
15	A	1094	1057	0.15
16	A	950	918	0.07
17	A	907	876	2.91
18	A	845	816	1.24
19	A	811	783	0.41
20	A	488	471	0.06
21	A	395	382	0.01
22	A	270	261	0.04
23	B	3118	3013	17.68
24	B	3111	3006	123.20
25	B	3080	2976	82.60
26	B	3031	2929	54.37
27	B	3018	2916	100.64
28	B	1516	1465	5.65
29	B	1515	1463	7.04
30	B	1421	1373	0.10
31	B	1391	1344	1.91
32	B	1384	1338	1.75
33	B	1301	1257	1.77
34	B	1175	1135	6.17
35	B	1070	1034	1.20
36	B	1029	995	1.86
37	B	957	925	6.17
38	B	882	852	6.27
39	B	731	706	17.48
40	B	655	633	40.52
41	B	446	431	1.26
42	B	144	139	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	-0.008	-0.695	1.336
C2	0.008	0.695	1.336
C3	0.000	1.547	0.041
C4	0.000	-1.547	0.041
C5	-0.397	0.679	-1.212
C6	0.397	-0.679	-1.212
H7	-0.028	-1.235	2.300
H8	0.028	1.235	2.300
H9	1.008	1.997	-0.120
H10	-1.008	-1.997	-0.120
H11	-0.718	2.390	0.158
H12	0.718	-2.390	0.158
H13	-1.489	0.464	-1.183
H14	1.489	-0.464	-1.183
H15	-0.182	1.249	-2.144
H16	0.182	-1.249	-2.144

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3907	2.5895	1.5505	2.9214	2.5804	1.1046	2.1576	3.2256	2.1950	3.3783	2.1880	3.1442	2.9394	3.9908	3.5296
C2	1.3907		1.5505	2.5895	2.5804	2.9214	2.1576	1.1046	2.1950	3.2256	2.1880	3.3783	2.9394	3.1442	3.5296	3.9908
C3	2.5895	1.5505		3.0933	1.5746	2.5845	3.5837	2.2811	1.1161	3.6882	1.1142	4.0036	2.2104	2.7855	2.2125	3.5529
C4	1.5505	2.5895	3.0933		2.5845	1.5746	2.2811	3.5837	3.6882	1.1161	4.0036	1.1142	2.7855	2.2104	3.5529	2.2125
C5	2.9214	2.5804	1.5746	2.5845		1.5725	4.0166	3.5811	2.2146	2.9546	2.2159	3.5413	1.1141	2.2056	1.1137	2.2183
C6	2.5804	2.9214	2.5845	1.5746	1.5725		3.5811	4.0166	2.9546	2.2146	3.5413	2.2159	2.2056	1.1141	2.2183	1.1137
H7	1.1046	2.1576	3.5837	2.2811	4.0166	3.5811		2.4704	4.1688	2.7200	4.2666	2.5454	4.1414	3.8764	5.0937	4.4494
H8	2.1576	1.1046	2.2811	3.5837	3.5811	4.0166	2.4704		2.7200	4.1688	2.5454	4.2666	3.8764	4.1414	4.4494	5.0937
H9	3.2256	2.1950	1.1161	3.6882	2.2146	2.9546	4.1688	2.7200		4.4750	1.7926	4.4060	3.1174	2.7242	2.4645	3.9142
H10	2.1950	3.2256	3.6882	1.1161	2.9546	2.2146	2.7200	4.1688	4.4750		4.4060	1.7926	2.7242	3.1174	3.9142	2.4645
H11	3.3783	2.1880	1.1142	4.0036	2.2159	3.5413	4.2666	2.5454	1.7926	4.4060		4.9916	2.4701	3.8499	2.6255	4.3997
H12	2.1880	3.3783	4.0036	1.1142	3.5413	2.2159	2.5454	4.2666	4.4060	1.7926	4.9916		3.8499	2.4701	4.3997	2.6255
H13	3.1442	2.9394	2.2104	2.7855	1.1141	2.2056	4.1414	3.8764	3.1174	2.7242	2.4701	3.8499		3.1203	1.8031	2.5794
H14	2.9394	3.1442	2.7855	2.2104	2.2056	1.1141	3.8764	4.1414	2.7242	3.1174	3.8499	2.4701	3.1203		2.5794	1.8031
H15	3.9908	3.5296	2.2125	3.5529	1.1137	2.2183	5.0937	4.4494	2.4645	3.9142	2.6255	4.3997	1.8031	2.5794		2.5244
H16	3.5296	3.9908	3.5529	2.2125	2.2183	1.1137	4.4494	5.0937	3.9142	2.4645	4.3997	2.6255	2.5794	1.8031	2.5244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.298	C1	C2	H8	119.252
C1	C4	C6	111.317	C1	C4	H10	109.727
C1	C4	H12	109.296	C2	C1	C4	123.298
C2	C1	H7	119.252	C2	C3	C5	111.317
C2	C3	H9	109.727	C2	C3	H11	109.296
C3	C2	H8	117.449	C3	C5	C6	110.418
C3	C5	H13	109.398	C3	C5	H15	109.586
C4	C1	H7	117.449	C4	C6	C5	110.418
C4	C6	H14	109.398	C4	C6	H16	109.586
C5	C3	H9	109.611	C5	C3	H11	109.814
C5	C6	H14	109.172	C5	C6	H16	110.165
C6	C4	H10	109.611	C6	C4	H12	109.814
C6	C5	H13	109.172	C6	C5	H15	110.165
H9	C3	H11	106.976	H10	C4	H12	106.976
H13	C5	H15	108.061	H14	C6	H16	108.061

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)