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	hartrees
Energy at 0K	-39.454981
Energy at 298.15K	-39.466518
HF Energy	-38.728445
Nuclear repulsion energy	127.605515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3202	3040	44.39
2	A	3151	2991	30.68
3	A	3129	2971	0.91
4	A	3087	2930	40.58
5	A	3069	2914	0.72
6	A	1710	1623	2.89
7	A	1530	1453	1.72
8	A	1504	1428	0.12
9	A	1414	1343	0.21
10	A	1406	1335	0.01
11	A	1289	1224	0.99
12	A	1263	1199	0.13
13	A	1166	1107	0.06
14	A	1110	1054	0.00
15	A	1106	1050	0.30
16	A	974	925	0.00
17	A	933	886	1.95
18	A	847	805	0.31
19	A	833	791	2.08
20	A	489	464	0.05
21	A	397	376	0.01
22	A	281	267	0.04
23	B	3168	3008	7.66
24	B	3159	2999	77.55
25	B	3128	2970	51.82
26	B	3083	2927	39.01
27	B	3069	2914	73.21
28	B	1519	1442	4.84
29	B	1511	1435	8.66
30	B	1428	1356	0.94
31	B	1405	1334	1.20
32	B	1358	1289	1.57
33	B	1316	1250	2.27
34	B	1178	1118	6.62
35	B	1074	1019	2.98
36	B	1026	974	1.77
37	B	947	899	7.84
38	B	912	866	6.52
39	B	738	700	20.92
40	B	659	625	33.79
41	B	449	427	1.33
42	B	158	150	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.007	-0.686	1.314
C2	0.007	0.686	1.314
C3	0.000	1.519	0.038
C4	0.000	-1.519	0.038
C5	-0.392	0.666	-1.190
C6	0.392	-0.666	-1.190
H7	-0.028	-1.218	2.274
H8	0.028	1.218	2.274
H9	1.003	1.966	-0.119
H10	-1.003	-1.966	-0.119
H11	-0.706	2.364	0.155
H12	0.706	-2.364	0.155
H13	-1.477	0.452	-1.161
H14	1.477	-0.452	-1.161
H15	-0.183	1.233	-2.117
H16	0.183	-1.233	-2.117

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3713	2.5476	1.5243	2.8708	2.5351	1.0983	2.1322	3.1781	2.1638	3.3363	2.1604	3.0949	2.8945	3.9346	3.4792
C2	1.3713		1.5243	2.5476	2.5351	2.8708	2.1322	1.0983	2.1638	3.1781	2.1604	3.3363	2.8945	3.0949	3.4792	3.9346
C3	2.5476	1.5243		3.0389	1.5456	2.5368	3.5349	2.2571	1.1086	3.6298	1.1071	3.9488	2.1808	2.7396	2.1813	3.5003
C4	1.5243	2.5476	3.0389		2.5368	1.5456	2.2571	3.5349	3.6298	1.1086	3.9488	1.1071	2.7396	2.1808	3.5003	2.1813
C5	2.8708	2.5351	1.5456	2.5368		1.5448	3.9598	3.5328	2.1865	2.9060	2.1890	3.4919	1.1065	2.1778	1.1067	2.1899
C6	2.5351	2.8708	2.5368	1.5456	1.5448		3.5328	3.9598	2.9060	2.1865	3.4919	2.1890	2.1778	1.1065	2.1899	1.1067
H7	1.0983	2.1322	3.5349	2.2571	3.9598	3.5328		2.4360	4.1136	2.6902	4.2165	2.5185	4.0852	3.8273	5.0312	4.3963
H8	2.1322	1.0983	2.2571	3.5349	3.5328	3.9598	2.4360		2.6902	4.1136	2.5185	4.2165	3.8273	4.0852	4.3963	5.0312
H9	3.1781	2.1638	1.1086	3.6298	2.1865	2.9060	4.1136	2.6902		4.4132	1.7761	4.3483	3.0861	2.6753	2.4364	3.8595
H10	2.1638	3.1781	3.6298	1.1086	2.9060	2.1865	2.6902	4.1136	4.4132		4.3483	1.7761	2.6753	3.0861	3.8595	2.4364
H11	3.3363	2.1604	1.1071	3.9488	2.1890	3.4919	4.2165	2.5185	1.7761	4.3483		4.9343	2.4453	3.7987	2.5914	4.3466
H12	2.1604	3.3363	3.9488	1.1071	3.4919	2.1890	2.5185	4.2165	4.3483	1.7761	4.9343		3.7987	2.4453	4.3466	2.5914
H13	3.0949	2.8945	2.1808	2.7396	1.1065	2.1778	4.0852	3.8273	3.0861	2.6753	2.4453	3.7987		3.0894	1.7881	2.5519
H14	2.8945	3.0949	2.7396	2.1808	2.1778	1.1065	3.8273	4.0852	2.6753	3.0861	3.7987	2.4453	3.0894		2.5519	1.7881
H15	3.9346	3.4792	2.1813	3.5003	1.1067	2.1899	5.0312	4.3963	2.4364	3.8595	2.5914	4.3466	1.7881	2.5519		2.4932
H16	3.4792	3.9346	3.5003	2.1813	2.1899	1.1067	4.3963	5.0312	3.8595	2.4364	4.3466	2.5914	2.5519	1.7881	2.4932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.159	C1	C2	H8	118.986
C1	C4	C6	111.333	C1	C4	H10	109.526
C1	C4	H12	109.342	C2	C1	C4	123.159
C2	C1	H7	118.986	C2	C3	C5	111.333
C2	C3	H9	109.526	C2	C3	H11	109.342
C3	C2	H8	117.854	C3	C5	C6	110.341
C3	C5	H13	109.518	C3	C5	H15	109.543
C4	C1	H7	117.854	C4	C6	C5	110.341
C4	C6	H14	109.518	C4	C6	H16	109.543
C5	C3	H9	109.840	C5	C3	H11	110.122
C5	C6	H14	109.337	C5	C6	H16	110.268
C6	C4	H10	109.840	C6	C4	H12	110.122
C6	C5	H13	109.337	C6	C5	H15	110.268
H9	C3	H11	106.559	H10	C4	H12	106.559
H13	C5	H15	107.789	H14	C6	H16	107.789

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)