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	hartrees
Energy at 0K	-234.525552
Energy at 298.15K	-234.537076
Nuclear repulsion energy	237.563303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3191	3047	43.65
2	A	3108	2967	45.25
3	A	3078	2939	0.82
4	A	3052	2914	19.35
5	A	3028	2891	0.00
6	A	1754	1674	2.66
7	A	1503	1435	1.38
8	A	1475	1408	0.01
9	A	1386	1323	0.24
10	A	1382	1319	0.34
11	A	1271	1214	0.63
12	A	1250	1194	0.23
13	A	1160	1108	0.03
14	A	1093	1044	0.00
15	A	1089	1040	0.11
16	A	1004	958	0.01
17	A	928	886	0.57
18	A	847	808	0.00
19	A	821	783	1.35
20	A	494	472	0.03
21	A	396	378	0.00
22	A	273	260	0.10
23	B	3168	3024	8.05
24	B	3112	2972	49.87
25	B	3078	2939	78.16
26	B	3055	2917	15.92
27	B	3028	2892	64.44
28	B	1493	1426	4.51
29	B	1482	1415	6.26
30	B	1425	1361	0.09
31	B	1379	1317	1.79
32	B	1343	1283	1.18
33	B	1294	1235	1.81
34	B	1157	1105	4.23
35	B	1060	1012	4.46
36	B	1015	969	0.96
37	B	931	889	3.70
38	B	901	861	5.20
39	B	728	695	9.90
40	B	650	621	19.29
41	B	441	421	1.16
42	B	164	157	0.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.126	-0.655	1.295
C2	0.126	0.655	1.295
C3	0.257	1.473	0.044
C4	-0.257	-1.473	0.044
C5	-0.257	0.718	-1.180
C6	0.257	-0.718	-1.180
H7	-0.236	-1.175	2.243
H8	0.236	1.175	2.243
H9	1.308	1.757	-0.100
H10	-1.308	-1.757	-0.100
H11	-0.286	2.417	0.163
H12	0.286	-2.417	0.163
H13	-1.353	0.705	-1.160
H14	1.353	-0.705	-1.160
H15	0.037	1.237	-2.097
H16	-0.037	-1.237	-2.097

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3333	2.4975	1.5006	2.8330	2.5049	1.0875	2.0927	3.1335	2.1353	3.2778	2.1349	3.0631	2.8664	3.8870	3.4427
C2	1.3333		1.5006	2.4975	2.5049	2.8330	2.0927	1.0875	2.1353	3.1335	2.1349	3.2778	2.8664	3.0631	3.4427	3.8870
C3	2.4975	1.5006		2.9898	1.5263	2.5094	3.4774	2.2196	1.0990	3.5916	1.0960	3.8919	2.1512	2.7194	2.1649	3.4655
C4	1.5006	2.4975	2.9898		2.5094	1.5263	2.2196	3.4774	3.5916	1.0990	3.8919	1.0960	2.7194	2.1512	3.4655	2.1649
C5	2.8330	2.5049	1.5263	2.5094		1.5253	3.9119	3.4884	2.1663	2.8979	2.1658	3.4539	1.0963	2.1486	1.0939	2.1704
C6	2.5049	2.8330	2.5094	1.5263	1.5253		3.4884	3.9119	2.8979	2.1663	3.4539	2.1658	2.1486	1.0963	2.1704	1.0939
H7	1.0875	2.0927	3.4774	2.2196	3.9119	3.4884		2.3975	4.0589	2.6419	4.1517	2.4785	4.0456	3.7853	4.9730	4.3453
H8	2.0927	1.0875	2.2196	3.4774	3.4884	3.9119	2.3975		2.6419	4.0589	2.4785	4.1517	3.7853	4.0456	4.3453	4.9730
H9	3.1335	2.1353	1.0990	3.5916	2.1663	2.8979	4.0589	2.6419		4.3809	1.7460	4.3054	3.0512	2.6811	2.4234	3.8418
H10	2.1353	3.1335	3.5916	1.0990	2.8979	2.1663	2.6419	4.0589	4.3809		4.3054	1.7460	2.6811	3.0512	3.8418	2.4234
H11	3.2778	2.1349	1.0960	3.8919	2.1658	3.4539	4.1517	2.4785	1.7460	4.3054		4.8683	2.4121	3.7667	2.5703	4.3036
H12	2.1349	3.2778	3.8919	1.0960	3.4539	2.1658	2.4785	4.1517	4.3054	1.7460	4.8683		3.7667	2.4121	4.3036	2.5703
H13	3.0631	2.8664	2.1512	2.7194	1.0963	2.1486	4.0456	3.7853	3.0512	2.6811	2.4121	3.7667		3.0510	1.7585	2.5257
H14	2.8664	3.0631	2.7194	2.1512	2.1486	1.0963	3.7853	4.0456	2.6811	3.0512	3.7667	2.4121	3.0510		2.5257	1.7585
H15	3.8870	3.4427	2.1649	3.4655	1.0939	2.1704	4.9730	4.3453	2.4234	3.8418	2.5703	4.3036	1.7585	2.5257		2.4744
H16	3.4427	3.8870	3.4655	2.1649	2.1704	1.0939	4.3453	4.9730	3.8418	2.4234	4.3036	2.5703	2.5257	1.7585	2.4744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.490	C1	C2	H8	119.292
C1	C4	C6	111.694	C1	C4	H10	109.482
C1	C4	H12	109.630	C2	C1	C4	123.490
C2	C1	H7	119.292	C2	C3	C5	111.694
C2	C3	H9	109.482	C2	C3	H11	109.630
C3	C2	H8	117.215	C3	C5	C6	110.637
C3	C5	H13	109.118	C3	C5	H15	110.340
C4	C1	H7	117.215	C4	C6	C5	110.637
C4	C6	H14	109.118	C4	C6	H16	110.340
C5	C3	H9	110.152	C5	C3	H11	110.288
C5	C6	H14	108.984	C5	C6	H16	110.848
C6	C4	H10	110.152	C6	C4	H12	110.288
C6	C5	H13	108.984	C6	C5	H15	110.848
H9	C3	H11	105.400	H10	C4	H12	105.400
H13	C5	H15	106.813	H14	C6	H16	106.813

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: B1B95/6-31G**

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.094
2	C	-0.094
3	C	-0.248
4	C	-0.248
5	C	-0.232
6	C	-0.232
7	H	0.098
8	H	0.098
9	H	0.125
10	H	0.125
11	H	0.121
12	H	0.121
13	H	0.119
14	H	0.119
15	H	0.111
16	H	0.111

	x	y	z	Total
	0.000	0.000	-0.252	0.252
CHELPG
AIM
ESP

	x	y	z
x	6.906	0.653	0.000
y	0.653	10.620	0.000
z	0.000	0.000	9.120

<r²>	153.004
(<r²>)^1/2	12.369

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: B1B95/6-31G**

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)