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	hartrees
Energy at 0K	-234.110569
Energy at 298.15K	-234.122160
HF Energy	-233.104271
Nuclear repulsion energy	237.879012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3206	3050	30.89
2	A	3128	2977	36.49
3	A	3107	2956	0.39
4	A	3066	2917	16.45
5	A	3054	2906	0.23
6	A	1702	1620	3.17
7	A	1505	1432	2.12
8	A	1480	1408	0.15
9	A	1386	1319	0.05
10	A	1379	1312	0.18
11	A	1275	1213	0.47
12	A	1256	1195	0.01
13	A	1158	1102	0.19
14	A	1098	1045	0.00
15	A	1096	1043	0.08
16	A	997	949	0.00
17	A	930	884	1.04
18	A	849	808	0.00
19	A	826	786	1.08
20	A	494	470	0.01
21	A	402	382	0.02
22	A	281	268	0.05
23	B	3181	3027	5.34
24	B	3132	2980	37.22
25	B	3106	2956	48.66
26	B	3071	2922	23.03
27	B	3055	2907	50.93
28	B	1495	1422	6.10
29	B	1487	1415	8.88
30	B	1426	1357	0.04
31	B	1374	1307	1.09
32	B	1351	1286	1.21
33	B	1303	1239	2.14
34	B	1164	1108	5.77
35	B	1066	1014	3.75
36	B	1020	971	0.85
37	B	936	891	5.20
38	B	906	862	5.06
39	B	734	698	12.45
40	B	654	622	22.43
41	B	447	425	0.92
42	B	170	162	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.129	-0.656	1.294
C2	0.129	0.656	1.294
C3	0.262	1.470	0.040
C4	-0.262	-1.470	0.040
C5	-0.262	0.715	-1.177
C6	0.262	-0.715	-1.177
H7	-0.242	-1.171	2.241
H8	0.242	1.171	2.241
H9	1.313	1.737	-0.111
H10	-1.313	-1.737	-0.111
H11	-0.273	2.414	0.161
H12	0.273	-2.414	0.161
H13	-1.354	0.693	-1.142
H14	1.354	-0.693	-1.142
H15	0.021	1.233	-2.093
H16	-0.021	-1.233	-2.093

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3379	2.4998	1.5010	2.8290	2.5021	1.0836	2.0913	3.1274	2.1319	3.2763	2.1295	3.0428	2.8523	3.8815	3.4378
C2	1.3379		1.5010	2.4998	2.5021	2.8290	2.0913	1.0836	2.1319	3.1274	2.1295	3.2763	2.8523	3.0428	3.4378	3.8815
C3	2.4998	1.5010		2.9871	1.5251	2.5012	3.4749	2.2212	1.0943	3.5763	1.0917	3.8864	2.1486	2.6960	2.1601	3.4552
C4	1.5010	2.4998	2.9871		2.5012	1.5251	2.2212	3.4749	3.5763	1.0943	3.8864	1.0917	2.6960	2.1486	3.4552	2.1601
C5	2.8290	2.5021	1.5251	2.5012		1.5235	3.9035	3.4845	2.1588	2.8722	2.1624	3.4449	1.0928	2.1441	1.0903	2.1663
C6	2.5021	2.8290	2.5012	1.5251	1.5235		3.4845	3.9035	2.8722	2.1588	3.4449	2.1624	2.1441	1.0928	2.1663	1.0903
H7	1.0836	2.0913	3.4749	2.2212	3.9035	3.4845		2.3915	4.0504	2.6459	4.1451	2.4773	4.0195	3.7712	4.9632	4.3403
H8	2.0913	1.0836	2.2212	3.4749	3.4845	3.9035	2.3915		2.6459	4.0504	2.4773	4.1451	3.7712	4.0195	4.3403	4.9632
H9	3.1274	2.1319	1.0943	3.5763	2.1588	2.8722	4.0504	2.6459		4.3543	1.7457	4.2879	3.0443	2.6393	2.4190	3.8112
H10	2.1319	3.1274	3.5763	1.0943	2.8722	2.1588	2.6459	4.0504	4.3543		4.2879	1.7457	2.6393	3.0443	3.8112	2.4190
H11	3.2763	2.1295	1.0917	3.8864	2.1624	3.4449	4.1451	2.4773	1.7457	4.2879		4.8591	2.4149	3.7414	2.5619	4.2947
H12	2.1295	3.2763	3.8864	1.0917	3.4449	2.1624	2.4773	4.1451	4.2879	1.7457	4.8591		3.7414	2.4149	4.2947	2.5619
H13	3.0428	2.8523	2.1486	2.6960	1.0928	2.1441	4.0195	3.7712	3.0443	2.6393	2.4149	3.7414		3.0426	1.7573	2.5278
H14	2.8523	3.0428	2.6960	2.1486	2.1441	1.0928	3.7712	4.0195	2.6393	3.0443	3.7414	2.4149	3.0426		2.5278	1.7573
H15	3.8815	3.4378	2.1601	3.4552	1.0903	2.1663	4.9632	4.3403	2.4190	3.8112	2.5619	4.2947	1.7573	2.5278		2.4658
H16	3.4378	3.8815	3.4552	2.1601	2.1663	1.0903	4.3403	4.9632	3.8112	2.4190	4.2947	2.5619	2.5278	1.7573	2.4658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.315	C1	C2	H8	119.086
C1	C4	C6	111.549	C1	C4	H10	109.464
C1	C4	H12	109.428	C2	C1	C4	123.315
C2	C1	H7	119.086	C2	C3	C5	111.549
C2	C3	H9	109.464	C2	C3	H11	109.428
C3	C2	H8	117.598	C3	C5	C6	110.261
C3	C5	H13	109.204	C3	C5	H15	110.254
C4	C1	H7	117.598	C4	C6	C5	110.261
C4	C6	H14	109.204	C4	C6	H16	110.254
C5	C3	H9	109.910	C5	C3	H11	110.350
C5	C6	H14	108.968	C5	C6	H16	110.863
C6	C4	H10	109.910	C6	C4	H12	110.350
C6	C5	H13	108.968	C6	C5	H15	110.863
H9	C3	H11	105.985	H10	C4	H12	105.985
H13	C5	H15	107.219	H14	C6	H16	107.219

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)