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	hartrees
Energy at 0K	-234.589550
Energy at 298.15K	-234.600989
Nuclear repulsion energy	235.295030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3072	3063	47.16
2	A	2979	2970	62.44
3	A	2952	2943	0.60
4	A	2934	2925	12.17
5	A	2909	2900	0.12
6	A	1652	1647	4.02
7	A	1469	1465	1.89
8	A	1441	1437	0.01
9	A	1346	1342	0.16
10	A	1328	1324	0.28
11	A	1236	1232	0.64
12	A	1217	1214	0.02
13	A	1133	1129	0.04
14	A	1068	1065	0.00
15	A	1028	1025	0.15
16	A	967	964	0.00
17	A	878	875	0.99
18	A	808	805	0.62
19	A	792	790	0.11
20	A	490	489	0.02
21	A	393	392	0.01
22	A	272	271	0.04
23	B	3049	3040	11.94
24	B	2981	2972	61.06
25	B	2954	2945	106.25
26	B	2940	2931	16.74
27	B	2908	2900	57.83
28	B	1461	1457	4.00
29	B	1448	1443	6.62
30	B	1387	1383	0.47
31	B	1326	1322	0.00
32	B	1323	1320	3.21
33	B	1261	1257	1.69
34	B	1134	1131	4.61
35	B	1016	1013	3.85
36	B	990	987	1.56
37	B	910	907	4.49
38	B	847	845	5.71
39	B	711	709	6.88
40	B	637	635	24.22
41	B	451	450	1.04
42	B	162	162	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.008	-0.670	1.312
C2	0.008	0.670	1.312
C3	0.000	1.508	0.051
C4	0.000	-1.508	0.051
C5	-0.365	0.679	-1.200
C6	0.365	-0.679	-1.200
H7	-0.025	-1.206	2.262
H8	0.025	1.206	2.262
H9	0.990	1.978	-0.083
H10	-0.990	-1.978	-0.083
H11	-0.705	2.345	0.169
H12	0.705	-2.345	0.169
H13	-1.452	0.503	-1.211
H14	1.452	-0.503	-1.211
H15	-0.129	1.244	-2.112
H16	0.129	-1.244	-2.112

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3400	2.5169	1.5143	2.8736	2.5396	1.0912	2.1033	3.1550	2.1494	3.2988	2.1495	3.1344	2.9195	3.9242	3.4740
C2	1.3400		1.5143	2.5169	2.5396	2.8736	2.1033	1.0912	2.1494	3.1550	2.1495	3.2988	2.9195	3.1344	3.4740	3.9242
C3	2.5169	1.5143		3.0166	1.5447	2.5462	3.5012	2.2318	1.1036	3.6269	1.1004	3.9191	2.1703	2.7829	2.1824	3.5029
C4	1.5143	2.5169	3.0166		2.5462	1.5447	2.2318	3.5012	3.6269	1.1036	3.9191	1.1004	2.7829	2.1703	3.5029	2.1824
C5	2.8736	2.5396	1.5447	2.5462		1.5422	3.9569	3.5237	2.1847	2.9498	2.1830	3.4879	1.1005	2.1676	1.0982	2.1852
C6	2.5396	2.8736	2.5462	1.5447	1.5422		3.5237	3.9569	2.9498	2.1847	3.4879	2.1830	2.1676	1.1005	2.1852	1.0982
H7	1.0912	2.1033	3.5012	2.2318	3.9569	3.5237		2.4129	4.0827	2.6503	4.1779	2.4920	4.1254	3.8388	5.0145	4.3765
H8	2.1033	1.0912	2.2318	3.5012	3.5237	3.9569	2.4129		2.6503	4.0827	2.4920	4.1779	3.8388	4.1254	4.3765	5.0145
H9	3.1550	2.1494	1.1036	3.6269	2.1847	2.9498	4.0827	2.6503		4.4242	1.7516	4.3403	3.0675	2.7648	2.4305	3.9043
H10	2.1494	3.1550	3.6269	1.1036	2.9498	2.1847	2.6503	4.0827	4.4242		4.3403	1.7516	2.7648	3.0675	3.9043	2.4305
H11	3.2988	2.1495	1.1004	3.9191	2.1830	3.4879	4.1779	2.4920	1.7516	4.3403		4.8974	2.4199	3.8296	2.5970	4.3337
H12	2.1495	3.2988	3.9191	1.1004	3.4879	2.1830	2.4920	4.1779	4.3403	1.7516	4.8974		3.8296	2.4199	4.3337	2.5970
H13	3.1344	2.9195	2.1703	2.7829	1.1005	2.1676	4.1254	3.8388	3.0675	2.7648	2.4199	3.8296		3.0725	1.7634	2.5225
H14	2.9195	3.1344	2.7829	2.1703	2.1676	1.1005	3.8388	4.1254	2.7648	3.0675	3.8296	2.4199	3.0725		2.5225	1.7634
H15	3.9242	3.4740	2.1824	3.5029	1.0982	2.1852	5.0145	4.3765	2.4305	3.9043	2.5970	4.3337	1.7634	2.5225		2.5021
H16	3.4740	3.9242	3.5029	2.1824	2.1852	1.0982	4.3765	5.0145	3.9043	2.4305	4.3337	2.5970	2.5225	1.7634	2.5021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.611	C1	C2	H8	119.446
C1	C4	C6	112.239	C1	C4	H10	109.378
C1	C4	H12	109.577	C2	C1	C4	123.611
C2	C1	H7	119.446	C2	C3	C5	112.239
C2	C3	H9	109.378	C2	C3	H11	109.577
C3	C2	H8	116.943	C3	C5	C6	111.145
C3	C5	H13	109.109	C3	C5	H15	110.183
C4	C1	H7	116.943	C4	C6	C5	111.145
C4	C6	H14	109.109	C4	C6	H16	110.183
C5	C3	H9	110.043	C5	C3	H11	110.104
C5	C6	H14	109.065	C5	C6	H16	110.575
C6	C4	H10	110.043	C6	C4	H12	110.104
C6	C5	H13	109.065	C6	C5	H15	110.575
H9	C3	H11	105.262	H10	C4	H12	105.262
H13	C5	H15	106.642	H14	C6	H16	106.642

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: BLYP/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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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	-0.120
2	C	-0.120
3	C	-0.126
4	C	-0.126
5	C	-0.131
6	C	-0.131
7	H	0.087
8	H	0.087
9	H	0.075
10	H	0.075
11	H	0.075
12	H	0.075
13	H	0.066
14	H	0.066
15	H	0.073
16	H	0.073

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)