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	hartrees
Energy at 0K	-230.261108
Energy at 298.15K	-230.272876
Nuclear repulsion energy	236.304626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3724	3041	0.00
2	A	3723	3040	4.16
3	A	3700	3021	0.01
4	A	3611	2949	4.08
5	A	3590	2931	0.10
6	A	2097	1713	1.25
7	A	1842	1504	0.00
8	A	1820	1486	0.09
9	A	1696	1385	1.93
10	A	1673	1366	4.61
11	A	1499	1224	1.15
12	A	1473	1203	0.01
13	A	1370	1118	0.30
14	A	1313	1072	0.13
15	A	1273	1040	0.11
16	A	1212	990	0.00
17	A	1075	877	0.21
18	A	978	799	0.49
19	A	963	786	0.29
20	A	566	463	0.00
21	A	447	365	0.00
22	A	298	244	0.04
23	B	3730	3045	5.87
24	B	3700	3021	3.45
25	B	3694	3016	17.18
26	B	3608	2946	4.22
27	B	3590	2931	8.64
28	B	1831	1495	0.18
29	B	1821	1487	0.24
30	B	1687	1377	0.59
31	B	1682	1374	10.46
32	B	1607	1312	2.52
33	B	1525	1245	2.12
34	B	1377	1124	1.38
35	B	1236	1009	0.63
36	B	1169	954	1.41
37	B	1117	912	0.92
38	B	1046	854	0.82
39	B	855	698	4.14
40	B	766	626	8.21
41	B	519	424	0.95
42	B	166	135	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.110	-0.646	1.314
C2	0.110	0.646	1.314
C3	0.255	1.483	0.048
C4	-0.255	-1.483	0.048
C5	-0.255	0.728	-1.199
C6	0.255	-0.728	-1.199
H7	-0.209	-1.183	2.250
H8	0.209	1.183	2.250
H9	1.304	1.748	-0.088
H10	-1.304	-1.748	-0.088
H11	-0.292	2.417	0.163
H12	0.292	-2.417	0.163
H13	-1.343	0.725	-1.200
H14	1.343	-0.725	-1.200
H15	0.072	1.240	-2.101
H16	-0.072	-1.240	-2.101

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3098	2.5033	1.5249	2.8672	2.5405	1.0835	2.0787	3.1139	2.1468	3.2770	2.1503	3.1175	2.9045	3.9052	3.4665
C2	1.3098		1.5249	2.5033	2.5405	2.8672	2.0787	1.0835	2.1468	3.1139	2.1503	3.2770	2.9045	3.1175	3.4665	3.9052
C3	2.5033	1.5249		3.0089	1.5440	2.5374	3.4885	2.2227	1.0908	3.5901	1.0890	3.9019	2.1643	2.7592	2.1699	3.4838
C4	1.5249	2.5033	3.0089		2.5374	1.5440	2.2227	3.4885	3.5901	1.0908	3.9019	1.0890	2.7592	2.1643	3.4838	2.1699
C5	2.8672	2.5405	1.5440	2.5374		1.5418	3.9426	3.5092	2.1695	2.9093	2.1708	3.4705	1.0880	2.1595	1.0879	2.1723
C6	2.5405	2.8672	2.5374	1.5440	1.5418		3.5092	3.9426	2.9093	2.1695	3.4705	2.1708	2.1595	1.0880	2.1723	1.0879
H7	1.0835	2.0787	3.4885	2.2227	3.9426	3.5092		2.4027	4.0432	2.6428	4.1619	2.4751	4.1019	3.8100	4.9877	4.3530
H8	2.0787	1.0835	2.2227	3.4885	3.5092	3.9426	2.4027		2.6428	4.0432	2.4751	4.1619	3.8100	4.1019	4.3530	4.9877
H9	3.1139	2.1468	1.0908	3.5901	2.1695	2.9093	4.0432	2.6428		4.3624	1.7488	4.2943	3.0481	2.7119	2.4141	3.8570
H10	2.1468	3.1139	3.5901	1.0908	2.9093	2.1695	2.6428	4.0432	4.3624		4.2943	1.7488	2.7119	3.0481	3.8570	2.4141
H11	3.2770	2.1503	1.0890	3.9019	2.1708	3.4705	4.1619	2.4751	1.7488	4.2943		4.8697	2.4140	3.7954	2.5779	4.3072
H12	2.1503	3.2770	3.9019	1.0890	3.4705	2.1708	2.4751	4.1619	4.2943	1.7488	4.8697		3.7954	2.4140	4.3072	2.5779
H13	3.1175	2.9045	2.1643	2.7592	1.0880	2.1595	4.1019	3.8100	3.0481	2.7119	2.4140	3.7954		3.0524	1.7549	2.5077
H14	2.9045	3.1175	2.7592	2.1643	2.1595	1.0880	3.8100	4.1019	2.7119	3.0481	3.7954	2.4140	3.0524		2.5077	1.7549
H15	3.9052	3.4665	2.1699	3.4838	1.0879	2.1723	4.9877	4.3530	2.4141	3.8570	2.5779	4.3072	1.7549	2.5077		2.4844
H16	3.4665	3.9052	3.4838	2.1699	2.1723	1.0879	4.3530	4.9877	3.8570	2.4141	4.3072	2.5779	2.5077	1.7549	2.4844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.855	C1	C2	H8	120.286
C1	C4	C6	111.744	C1	C4	H10	109.193
C1	C4	H12	109.567	C2	C1	C4	123.855
C2	C1	H7	120.286	C2	C3	C5	111.744
C2	C3	H9	109.193	C2	C3	H11	109.567
C3	C2	H8	115.856	C3	C5	C6	110.627
C3	C5	H13	109.405	C3	C5	H15	109.856
C4	C1	H7	115.856	C4	C6	C5	110.627
C4	C6	H14	109.405	C4	C6	H16	109.856
C5	C3	H9	109.656	C5	C3	H11	109.858
C5	C6	H14	109.181	C5	C6	H16	110.194
C6	C4	H10	109.656	C6	C4	H12	109.858
C6	C5	H13	109.181	C6	C5	H15	110.194
H9	C3	H11	106.691	H10	C4	H12	106.691
H13	C5	H15	107.518	H14	C6	H16	107.518

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: HF/STO-3G

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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Number	Element	Mulliken
1	C	-0.068
2	C	-0.068
3	C	-0.107
4	C	-0.107
5	C	-0.098
6	C	-0.098
7	H	0.054
8	H	0.054
9	H	0.057
10	H	0.057
11	H	0.057
12	H	0.057
13	H	0.052
14	H	0.052
15	H	0.053
16	H	0.053

	x	y	z	Total
	0.000	0.000	-0.171	0.171
CHELPG
AIM
ESP

	x	y	z
x	3.405	0.483	0.000
y	0.483	6.156	0.000
z	0.000	0.000	4.760

<r²>	153.878
(<r²>)^1/2	12.405

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)