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	hartrees
Energy at 0K	-232.276520
Energy at 298.15K	-232.288169
HF Energy	-231.726772
Nuclear repulsion energy	235.010609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3025	36.61
2	A	3126	2963	25.54
3	A	3106	2944	2.56
4	A	3081	2920	21.06
5	A	3066	2906	0.52
6	A	1694	1606	0.58
7	A	1589	1506	1.27
8	A	1570	1489	0.20
9	A	1427	1353	0.13
10	A	1417	1343	0.51
11	A	1330	1261	0.41
12	A	1302	1234	0.01
13	A	1211	1148	0.14
14	A	1146	1086	0.14
15	A	1073	1017	0.22
16	A	1012	959	0.00
17	A	899	852	1.74
18	A	860	816	1.12
19	A	815	773	0.07
20	A	510	483	0.04
21	A	404	383	0.00
22	A	285	270	0.08
23	B	3163	2998	7.20
24	B	3136	2973	50.17
25	B	3105	2943	42.98
26	B	3079	2919	13.60
27	B	3066	2906	41.08
28	B	1585	1503	6.45
29	B	1580	1498	4.17
30	B	1472	1395	0.11
31	B	1424	1350	0.87
32	B	1402	1329	3.29
33	B	1343	1273	0.88
34	B	1224	1161	3.88
35	B	1064	1009	0.06
36	B	1056	1001	1.81
37	B	980	929	4.43
38	B	871	826	3.91
39	B	752	713	12.05
40	B	671	636	27.51
41	B	465	441	1.27
42	B	162	154	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.005	-0.672	1.314
C2	0.005	0.672	1.314
C3	0.000	1.515	0.041
C4	0.000	-1.515	0.041
C5	-0.397	0.665	-1.195
C6	0.397	-0.665	-1.195
H7	-0.024	-1.212	2.259
H8	0.024	1.212	2.259
H9	0.998	1.949	-0.120
H10	-0.998	-1.949	-0.120
H11	-0.702	2.352	0.160
H12	0.702	-2.352	0.160
H13	-1.470	0.439	-1.148
H14	1.470	-0.439	-1.148
H15	-0.208	1.230	-2.116
H16	0.208	-1.230	-2.116

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3449	2.5308	1.5262	2.8696	2.5405	1.0889	2.1088	3.1511	2.1605	3.3108	2.1566	3.0728	2.8795	3.9270	3.4811
C2	1.3449		1.5262	2.5308	2.5405	2.8696	2.1088	1.0889	2.1605	3.1511	2.1566	3.3108	2.8795	3.0728	3.4811	3.9270
C3	2.5308	1.5262		3.0306	1.5519	2.5377	3.5156	2.2386	1.0994	3.6082	1.0981	3.9319	2.1757	2.7197	2.1859	3.4975
C4	1.5262	2.5308	3.0306		2.5377	1.5519	2.2386	3.5156	3.6082	1.0994	3.9319	1.0981	2.7197	2.1757	3.4975	2.1859
C5	2.8696	2.5405	1.5519	2.5377		1.5494	3.9488	3.5222	2.1790	2.8891	2.1844	3.4847	1.0975	2.1701	1.0969	2.1922
C6	2.5405	2.8696	2.5377	1.5519	1.5494		3.5222	3.9488	2.8891	2.1790	3.4847	2.1844	2.1701	1.0975	2.1922	1.0969
H7	1.0889	2.1088	3.5156	2.2386	3.9488	3.5222		2.4250	4.0858	2.6737	4.1914	2.4964	4.0532	3.7999	5.0138	4.3812
H8	2.1088	1.0889	2.2386	3.5156	3.5222	3.9488	2.4250		2.6737	4.0858	2.4964	4.1914	3.7999	4.0532	4.3812	5.0138
H9	3.1511	2.1605	1.0994	3.6082	2.1790	2.8891	4.0858	2.6737		4.3781	1.7685	4.3194	3.0700	2.6425	2.4402	3.8353
H10	2.1605	3.1511	3.6082	1.0994	2.8891	2.1790	2.6737	4.0858	4.3781		4.3194	1.7685	2.6425	3.0700	3.8353	2.4402
H11	3.3108	2.1566	1.0981	3.9319	2.1844	3.4847	4.1914	2.4964	1.7685	4.3194		4.9082	2.4410	3.7705	2.5847	4.3397
H12	2.1566	3.3108	3.9319	1.0981	3.4847	2.1844	2.4964	4.1914	4.3194	1.7685	4.9082		3.7705	2.4410	4.3397	2.5847
H13	3.0728	2.8795	2.1757	2.7197	1.0975	2.1701	4.0532	3.7999	3.0700	2.6425	2.4410	3.7705		3.0689	1.7761	2.5572
H14	2.8795	3.0728	2.7197	2.1757	2.1701	1.0975	3.7999	4.0532	2.6425	3.0700	3.7705	2.4410	3.0689		2.5572	1.7761
H15	3.9270	3.4811	2.1859	3.4975	1.0969	2.1922	5.0138	4.3812	2.4402	3.8353	2.5847	4.3397	1.7761	2.5572		2.4946
H16	3.4811	3.9270	3.4975	2.1859	2.1922	1.0969	4.3812	5.0138	3.8353	2.4402	4.3397	2.5847	2.5572	1.7761	2.4946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.519	C1	C2	H8	119.729
C1	C4	C6	111.243	C1	C4	H10	109.667
C1	C4	H12	109.445	C2	C1	C4	123.519
C2	C1	H7	119.729	C2	C3	C5	111.243
C2	C3	H9	109.667	C2	C3	H11	109.445
C3	C2	H8	116.751	C3	C5	C6	109.821
C3	C5	H13	109.216	C3	C5	H15	110.039
C4	C1	H7	116.751	C4	C6	C5	109.821
C4	C6	H14	109.216	C4	C6	H16	110.039
C5	C3	H9	109.358	C5	C3	H11	109.859
C5	C6	H14	108.947	C5	C6	H16	110.703
C6	C4	H10	109.358	C6	C4	H12	109.859
C6	C5	H13	108.947	C6	C5	H15	110.703
H9	C3	H11	107.179	H10	C4	H12	107.179
H13	C5	H15	108.074	H14	C6	H16	108.074

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: MP2=FULL/3-21G*

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=FULL/3-21G*

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)