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	hartrees
Energy at 0K	-234.201861
Energy at 298.15K	-234.213534
HF Energy	-233.098063
Nuclear repulsion energy	238.852302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3222	3059	31.04
2	A	3129	2970	41.94
3	A	3108	2950	0.06
4	A	3071	2915	9.76
5	A	3061	2906	1.14
6	A	1720	1633	2.64
7	A	1517	1441	2.18
8	A	1491	1416	0.22
9	A	1397	1326	0.14
10	A	1388	1318	0.10
11	A	1286	1221	0.39
12	A	1267	1202	0.05
13	A	1172	1113	0.18
14	A	1106	1050	0.04
15	A	1105	1049	0.05
16	A	1011	960	0.00
17	A	937	890	1.03
18	A	857	814	0.00
19	A	830	788	1.10
20	A	499	474	0.01
21	A	407	387	0.01
22	A	286	272	0.06
23	B	3186	3025	5.61
24	B	3129	2970	34.06
25	B	3108	2951	57.63
26	B	3079	2923	26.86
27	B	3062	2907	43.35
28	B	1508	1431	5.88
29	B	1500	1424	9.71
30	B	1440	1367	0.05
31	B	1384	1314	0.94
32	B	1361	1292	1.27
33	B	1313	1246	2.12
34	B	1174	1115	5.50
35	B	1076	1021	3.95
36	B	1029	977	0.80
37	B	947	899	5.37
38	B	915	868	5.22
39	B	740	702	13.40
40	B	663	630	19.62
41	B	448	425	0.85
42	B	177	168	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.126	-0.654	1.289
C2	0.126	0.654	1.289
C3	0.260	1.466	0.040
C4	-0.260	-1.466	0.040
C5	-0.260	0.713	-1.172
C6	0.260	-0.713	-1.172
H7	-0.238	-1.172	2.228
H8	0.238	1.172	2.228
H9	1.307	1.733	-0.106
H10	-1.307	-1.733	-0.106
H11	-0.279	2.403	0.160
H12	0.279	-2.403	0.160
H13	-1.348	0.692	-1.142
H14	1.348	-0.692	-1.142
H15	0.029	1.227	-2.084
H16	-0.029	-1.227	-2.084

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3318	2.4904	1.4953	2.8177	2.4912	1.0787	2.0853	3.1136	2.1225	3.2625	2.1209	3.0354	2.8428	3.8647	3.4223
C2	1.3318		1.4953	2.4904	2.4912	2.8177	2.0853	1.0787	2.1225	3.1136	2.1209	3.2625	2.8428	3.0354	3.4223	3.8647
C3	2.4904	1.4953		2.9783	1.5193	2.4934	3.4632	2.2076	1.0903	3.5652	1.0874	3.8713	2.1412	2.6907	2.1503	3.4423
C4	1.4953	2.4904	2.9783		2.4934	1.5193	2.2076	3.4632	3.5652	1.0903	3.8713	1.0874	2.6907	2.1412	3.4423	2.1503
C5	2.8177	2.4912	1.5193	2.4934		1.5172	3.8874	3.4669	2.1523	2.8655	2.1520	3.4309	1.0889	2.1357	1.0864	2.1556
C6	2.4912	2.8177	2.4934	1.5193	1.5172		3.4669	3.8874	2.8655	2.1523	3.4309	2.1520	2.1357	1.0889	2.1556	1.0864
H7	1.0787	2.0853	3.4632	2.2076	3.8874	3.4669		2.3915	4.0340	2.6281	4.1306	2.4623	4.0079	3.7555	4.9416	4.3176
H8	2.0853	1.0787	2.2076	3.4632	3.4669	3.8874	2.3915		2.6281	4.0340	2.4623	4.1306	3.7555	4.0079	4.3176	4.9416
H9	3.1136	2.1225	1.0903	3.5652	2.1523	2.8655	4.0340	2.6281		4.3409	1.7423	4.2700	3.0344	2.6369	2.4084	3.8021
H10	2.1225	3.1136	3.5652	1.0903	2.8655	2.1523	2.6281	4.0340	4.3409		4.2700	1.7423	2.6369	3.0344	3.8021	2.4084
H11	3.2625	2.1209	1.0874	3.8713	2.1520	3.4309	4.1306	2.4623	1.7423	4.2700		4.8386	2.4012	3.7311	2.5520	4.2746
H12	2.1209	3.2625	3.8713	1.0874	3.4309	2.1520	2.4623	4.1306	4.2700	1.7423	4.8386		3.7311	2.4012	4.2746	2.5520
H13	3.0354	2.8428	2.1412	2.6907	1.0889	2.1357	4.0079	3.7555	3.0344	2.6369	2.4012	3.7311		3.0312	1.7527	2.5118
H14	2.8428	3.0354	2.6907	2.1412	2.1357	1.0889	3.7555	4.0079	2.6369	3.0344	3.7311	2.4012	3.0312		2.5118	1.7527
H15	3.8647	3.4223	2.1503	3.4423	1.0864	2.1556	4.9416	4.3176	2.4084	3.8021	2.5520	4.2746	1.7527	2.5118		2.4542
H16	3.4223	3.8647	3.4423	2.1503	2.1556	1.0864	4.3176	4.9416	3.8021	2.4084	4.2746	2.5520	2.5118	1.7527	2.4542

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.397	C1	C2	H8	119.416
C1	C4	C6	111.458	C1	C4	H10	109.352
C1	C4	H12	109.393	C2	C1	C4	123.397
C2	C1	H7	119.416	C2	C3	C5	111.458
C2	C3	H9	109.352	C2	C3	H11	109.393
C3	C2	H8	117.187	C3	C5	C6	110.397
C3	C5	H13	109.247	C3	C5	H15	110.118
C4	C1	H7	117.187	C4	C6	C5	110.397
C4	C6	H14	109.247	C4	C6	H16	110.118
C5	C3	H9	110.043	C5	C3	H11	110.184
C5	C6	H14	108.962	C5	C6	H16	110.683
C6	C4	H10	110.043	C6	C4	H12	110.184
C6	C5	H13	108.962	C6	C5	H15	110.683
H9	C3	H11	106.270	H10	C4	H12	106.270
H13	C5	H15	107.365	H14	C6	H16	107.365

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)