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	hartrees
Energy at 0K	-232.225884
Energy at 298.15K	-232.237680
Nuclear repulsion energy	235.924877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3251	3029	36.56
2	A	3171	2954	33.81
3	A	3152	2937	3.32
4	A	3130	2916	16.61
5	A	3115	2902	1.03
6	A	1794	1671	0.57
7	A	1615	1505	1.47
8	A	1596	1487	0.45
9	A	1464	1364	0.67
10	A	1450	1351	0.51
11	A	1359	1266	0.37
12	A	1333	1242	0.00
13	A	1242	1157	0.22
14	A	1174	1094	0.18
15	A	1099	1024	0.20
16	A	1070	997	0.00
17	A	921	858	2.05
18	A	875	815	1.03
19	A	832	775	0.06
20	A	524	488	0.02
21	A	415	387	0.00
22	A	291	271	0.07
23	B	3222	3002	7.18
24	B	3181	2963	53.99
25	B	3150	2935	54.26
26	B	3128	2914	10.66
27	B	3114	2901	45.18
28	B	1610	1500	6.78
29	B	1604	1494	5.45
30	B	1507	1404	0.00
31	B	1458	1358	1.63
32	B	1440	1341	2.69
33	B	1375	1281	1.52
34	B	1251	1166	4.67
35	B	1086	1012	0.06
36	B	1079	1005	2.31
37	B	1001	933	5.71
38	B	889	828	4.45
39	B	774	721	15.07
40	B	693	646	26.55
41	B	477	444	1.34
42	B	165	154	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.005	-0.665	1.310
C2	0.005	0.665	1.310
C3	0.000	1.508	0.043
C4	0.000	-1.508	0.043
C5	-0.392	0.666	-1.193
C6	0.392	-0.666	-1.193
H7	-0.021	-1.205	2.250
H8	0.021	1.205	2.250
H9	0.994	1.942	-0.110
H10	-0.994	-1.942	-0.110
H11	-0.699	2.341	0.163
H12	0.699	-2.341	0.163
H13	-1.463	0.448	-1.156
H14	1.463	-0.448	-1.156
H15	-0.195	1.229	-2.108
H16	0.195	-1.229	-2.108

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3299	2.5157	1.5221	2.8614	2.5348	1.0838	2.0927	3.1327	2.1511	3.2911	2.1494	3.0735	2.8784	3.9123	3.4702
C2	1.3299		1.5221	2.5157	2.5348	2.8614	2.0927	1.0838	2.1511	3.1327	2.1494	3.2911	2.8784	3.0735	3.4702	3.9123
C3	2.5157	1.5221		3.0169	1.5471	2.5316	3.4973	2.2276	1.0951	3.5943	1.0934	3.9139	2.1688	2.7214	2.1781	3.4868
C4	1.5221	2.5157	3.0169		2.5316	1.5471	2.2276	3.4973	3.5943	1.0951	3.9139	1.0934	2.7214	2.1688	3.4868	2.1781
C5	2.8614	2.5348	1.5471	2.5316		1.5451	3.9359	3.5096	2.1734	2.8870	2.1771	3.4738	1.0932	2.1640	1.0922	2.1839
C6	2.5348	2.8614	2.5316	1.5471	1.5451		3.5096	3.9359	2.8870	2.1734	3.4738	2.1771	2.1640	1.0932	2.1839	1.0922
H7	1.0838	2.0927	3.4973	2.2276	3.9359	3.5096		2.4098	4.0627	2.6572	4.1694	2.4829	4.0509	3.7917	4.9943	4.3633
H8	2.0927	1.0838	2.2276	3.4973	3.5096	3.9359	2.4098		2.6572	4.0627	2.4829	4.1694	3.7917	4.0509	4.3633	4.9943
H9	3.1327	2.1511	1.0951	3.5943	2.1734	2.8870	4.0627	2.6572		4.3635	1.7602	4.3018	3.0597	2.6508	2.4314	3.8319
H10	2.1511	3.1327	3.5943	1.0951	2.8870	2.1734	2.6572	4.0627	4.3635		4.3018	1.7602	2.6508	3.0597	3.8319	2.4314
H11	3.2911	2.1494	1.0934	3.9139	2.1771	3.4738	4.1694	2.4829	1.7602	4.3018		4.8856	2.4303	3.7669	2.5784	4.3240
H12	2.1494	3.2911	3.9139	1.0934	3.4738	2.1771	2.4829	4.1694	4.3018	1.7602	4.8856		3.7669	2.4303	4.3240	2.5784
H13	3.0735	2.8784	2.1688	2.7214	1.0932	2.1640	4.0509	3.7917	3.0597	2.6508	2.4303	3.7669		3.0599	1.7675	2.5427
H14	2.8784	3.0735	2.7214	2.1688	2.1640	1.0932	3.7917	4.0509	2.6508	3.0597	3.7669	2.4303	3.0599		2.5427	1.7675
H15	3.9123	3.4702	2.1781	3.4868	1.0922	2.1839	4.9943	4.3633	2.4314	3.8319	2.5784	4.3240	1.7675	2.5427		2.4882
H16	3.4702	3.9123	3.4868	2.1781	2.1839	1.0922	4.3633	4.9943	3.8319	2.4314	4.3240	2.5784	2.5427	1.7675	2.4882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.652	C1	C2	H8	119.876
C1	C4	C6	111.359	C1	C4	H10	109.476
C1	C4	H12	109.440	C2	C1	C4	123.652
C2	C1	H7	119.876	C2	C3	C5	111.359
C2	C3	H9	109.476	C2	C3	H11	109.440
C3	C2	H8	116.471	C3	C5	C6	109.914
C3	C5	H13	109.248	C3	C5	H15	110.034
C4	C1	H7	116.471	C4	C6	C5	109.914
C4	C6	H14	109.248	C4	C6	H16	110.034
C5	C3	H9	109.495	C5	C3	H11	109.885
C5	C6	H14	109.014	C5	C6	H16	110.636
C6	C4	H10	109.495	C6	C4	H12	109.885
C6	C5	H13	109.014	C6	C5	H15	110.636
H9	C3	H11	107.088	H10	C4	H12	107.088
H13	C5	H15	107.953	H14	C6	H16	107.953

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: CID/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: CID/3-21G

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)