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	hartrees
Energy at 0K	-233.987681
Energy at 298.15K	-233.999306
HF Energy	-233.058919
Nuclear repulsion energy	237.198311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3199	3030	40.19
2	A	3128	2963	36.52
3	A	3106	2942	1.02
4	A	3071	2909	23.16
5	A	3056	2894	0.01
6	A	1713	1623	1.49
7	A	1541	1459	3.11
8	A	1514	1434	0.38
9	A	1406	1332	0.77
10	A	1404	1330	0.10
11	A	1296	1227	0.48
12	A	1269	1202	0.08
13	A	1177	1115	0.09
14	A	1113	1054	0.04
15	A	1107	1048	0.06
16	A	968	917	0.01
17	A	935	886	1.44
18	A	856	810	0.02
19	A	834	790	1.46
20	A	501	474	0.05
21	A	406	385	0.01
22	A	283	268	0.05
23	B	3175	3007	7.34
24	B	3135	2969	50.72
25	B	3106	2942	57.41
26	B	3073	2911	21.77
27	B	3056	2894	59.80
28	B	1531	1450	8.43
29	B	1521	1441	10.64
30	B	1437	1361	0.26
31	B	1400	1326	1.05
32	B	1368	1296	1.69
33	B	1319	1250	2.18
34	B	1183	1120	5.27
35	B	1077	1020	3.19
36	B	1030	976	1.33
37	B	948	897	5.02
38	B	914	866	5.58
39	B	737	698	12.25
40	B	654	619	30.28
41	B	457	433	1.31
42	B	168	159	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.009	-0.671	1.297
C2	0.009	0.671	1.297
C3	0.000	1.498	0.039
C4	0.000	-1.498	0.039
C5	-0.385	0.659	-1.178
C6	0.385	-0.659	-1.178
H7	-0.029	-1.200	2.249
H8	0.029	1.200	2.249
H9	0.991	1.947	-0.113
H10	-0.991	-1.947	-0.113
H11	-0.694	2.339	0.157
H12	0.694	-2.339	0.157
H13	-1.460	0.446	-1.144
H14	1.460	-0.446	-1.144
H15	-0.199	1.220	-2.100
H16	0.199	-1.220	-2.100

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3427	2.5076	1.5052	2.8356	2.5068	1.0890	2.0999	3.1376	2.1404	3.2909	2.1387	3.0522	2.8581	3.8931	3.4477
C2	1.3427		1.5052	2.5076	2.5068	2.8356	2.0999	1.0890	2.1404	3.1376	2.1387	3.2909	2.8581	3.0522	3.4477	3.8931
C3	2.5076	1.5052		2.9960	1.5280	2.5071	3.4876	2.2298	1.0989	3.5882	1.0963	3.9008	2.1538	2.7044	2.1666	3.4650
C4	1.5052	2.5076	2.9960		2.5071	1.5280	2.2298	3.4876	3.5882	1.0989	3.9008	1.0963	2.7044	2.1538	3.4650	2.1666
C5	2.8356	2.5068	1.5280	2.5071		1.5269	3.9155	3.4944	2.1652	2.8804	2.1678	3.4548	1.0968	2.1514	1.0950	2.1733
C6	2.5068	2.8356	2.5071	1.5280	1.5269		3.4944	3.9155	2.8804	2.1652	3.4548	2.1678	2.1514	1.0968	2.1733	1.0950
H7	1.0890	2.0999	3.4876	2.2298	3.9155	3.4944		2.4009	4.0650	2.6575	4.1644	2.4891	4.0339	3.7814	4.9802	4.3552
H8	2.0999	1.0890	2.2298	3.4876	3.4944	3.9155	2.4009		2.6575	4.0650	2.4891	4.1644	3.7814	4.0339	4.3552	4.9802
H9	3.1376	2.1404	1.0989	3.5882	2.1652	2.8804	4.0650	2.6575		4.3699	1.7507	4.3048	3.0539	2.6481	2.4276	3.8224
H10	2.1404	3.1376	3.5882	1.0989	2.8804	2.1652	2.6575	4.0650	4.3699		4.3048	1.7507	2.6481	3.0539	3.8224	2.4276
H11	3.2909	2.1387	1.0963	3.9008	2.1678	3.4548	4.1644	2.4891	1.7507	4.3048		4.8790	2.4212	3.7536	2.5673	4.3080
H12	2.1387	3.2909	3.9008	1.0963	3.4548	2.1678	2.4891	4.1644	4.3048	1.7507	4.8790		3.7536	2.4212	4.3080	2.5673
H13	3.0522	2.8581	2.1538	2.7044	1.0968	2.1514	4.0339	3.7814	3.0539	2.6481	2.4212	3.7536		3.0540	1.7621	2.5385
H14	2.8581	3.0522	2.7044	2.1538	2.1514	1.0968	3.7814	4.0339	2.6481	3.0539	3.7536	2.4212	3.0540		2.5385	1.7621
H15	3.8931	3.4477	2.1666	3.4650	1.0950	2.1733	4.9802	4.3552	2.4276	3.8224	2.5673	4.3080	1.7621	2.5385		2.4727
H16	3.4477	3.8931	3.4650	2.1666	2.1733	1.0950	4.3552	4.9802	3.8224	2.4276	4.3080	2.5673	2.5385	1.7621	2.4727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.306	C1	C2	H8	119.062
C1	C4	C6	111.471	C1	C4	H10	109.570
C1	C4	H12	109.590	C2	C1	C4	123.306
C2	C1	H7	119.062	C2	C3	C5	111.471
C2	C3	H9	109.570	C2	C3	H11	109.590
C3	C2	H8	117.632	C3	C5	C6	110.305
C3	C5	H13	109.184	C3	C5	H15	110.293
C4	C1	H7	117.632	C4	C6	C5	110.305
C4	C6	H14	109.184	C4	C6	H16	110.293
C5	C3	H9	109.949	C5	C3	H11	110.312
C5	C6	H14	109.066	C5	C6	H16	110.893
C6	C4	H10	109.949	C6	C4	H12	110.312
C6	C5	H13	109.066	C6	C5	H15	110.893
H9	C3	H11	105.789	H10	C4	H12	105.789
H13	C5	H15	107.021	H14	C6	H16	107.021

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)