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	hartrees
Energy at 0K	-234.653806
Energy at 298.15K	-234.665424
HF Energy	-234.653806
Nuclear repulsion energy	237.685204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3049	37.55
2	A	3102	2965	51.62
3	A	3081	2946	0.30
4	A	3045	2911	15.72
5	A	3032	2899	0.08
6	A	1751	1674	3.64
7	A	1503	1437	2.32
8	A	1481	1416	0.36
9	A	1399	1337	0.13
10	A	1379	1319	0.22
11	A	1284	1228	0.46
12	A	1267	1211	0.07
13	A	1181	1129	0.12
14	A	1108	1059	0.02
15	A	1091	1043	0.07
16	A	1028	983	0.00
17	A	924	883	1.28
18	A	840	803	0.07
19	A	827	790	0.99
20	A	507	484	0.02
21	A	404	386	0.01
22	A	274	262	0.06
23	B	3165	3026	9.26
24	B	3104	2967	51.94
25	B	3081	2945	75.12
26	B	3051	2916	29.08
27	B	3032	2899	59.65
28	B	1492	1427	5.54
29	B	1489	1424	10.14
30	B	1443	1380	0.08
31	B	1388	1327	1.38
32	B	1366	1306	1.56
33	B	1304	1246	2.33
34	B	1172	1120	5.59
35	B	1062	1016	4.54
36	B	1024	979	1.32
37	B	940	899	5.89
38	B	897	857	6.58
39	B	739	706	13.05
40	B	664	635	21.82
41	B	455	435	1.14
42	B	157	150	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.122	-0.651	1.297
C2	0.122	0.651	1.297
C3	0.255	1.470	0.045
C4	-0.255	-1.470	0.045
C5	-0.255	0.719	-1.184
C6	0.255	-0.719	-1.184
H7	-0.231	-1.168	2.244
H8	0.231	1.168	2.244
H9	1.306	1.743	-0.096
H10	-1.306	-1.743	-0.096
H11	-0.283	2.413	0.165
H12	0.283	-2.413	0.165
H13	-1.348	0.708	-1.167
H14	1.348	-0.708	-1.167
H15	0.044	1.237	-2.096
H16	-0.044	-1.237	-2.096

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3256	2.4920	1.5020	2.8376	2.5106	1.0837	2.0810	3.1167	2.1296	3.2710	2.1329	3.0702	2.8706	3.8871	3.4445
C2	1.3256		1.5020	2.4920	2.5106	2.8376	2.0810	1.0837	2.1296	3.1167	2.1329	3.2710	2.8706	3.0702	3.4445	3.8871
C3	2.4920	1.5020		2.9829	1.5272	2.5097	3.4682	2.2200	1.0952	3.5740	1.0924	3.8844	2.1493	2.7211	2.1636	3.4638
C4	1.5020	2.4920	2.9829		2.5097	1.5272	2.2200	3.4682	3.5740	1.0952	3.8844	1.0924	2.7211	2.1493	3.4638	2.1636
C5	2.8376	2.5106	1.5272	2.5097		1.5255	3.9128	3.4911	2.1601	2.8890	2.1655	3.4520	1.0935	2.1458	1.0909	2.1686
C6	2.5106	2.8376	2.5097	1.5272	1.5255		3.4911	3.9128	2.8890	2.1601	3.4520	2.1655	2.1458	1.0935	2.1686	1.0909
H7	1.0837	2.0810	3.4682	2.2200	3.9128	3.4911		2.3809	4.0387	2.6388	4.1408	2.4774	4.0499	3.7874	4.9694	4.3446
H8	2.0810	1.0837	2.2200	3.4682	3.4911	3.9128	2.3809		2.6388	4.0387	2.4774	4.1408	3.7874	4.0499	4.3446	4.9694
H9	3.1167	2.1296	1.0952	3.5740	2.1601	2.8890	4.0387	2.6388		4.3553	1.7440	4.2877	3.0435	2.6743	2.4178	3.8340
H10	2.1296	3.1167	3.5740	1.0952	2.8890	2.1601	2.6388	4.0387	4.3553		4.2877	1.7440	2.6743	3.0435	3.8340	2.4178
H11	3.2710	2.1329	1.0924	3.8844	2.1655	3.4520	4.1408	2.4774	1.7440	4.2877		4.8589	2.4122	3.7646	2.5692	4.3002
H12	2.1329	3.2710	3.8844	1.0924	3.4520	2.1655	2.4774	4.1408	4.2877	1.7440	4.8589		3.7646	2.4122	4.3002	2.5692
H13	3.0702	2.8706	2.1493	2.7211	1.0935	2.1458	4.0499	3.7874	3.0435	2.6743	2.4122	3.7646		3.0451	1.7552	2.5188
H14	2.8706	3.0702	2.7211	2.1493	2.1458	1.0935	3.7874	4.0499	2.6743	3.0435	3.7646	2.4122	3.0451		2.5188	1.7552
H15	3.8871	3.4445	2.1636	3.4638	1.0909	2.1686	4.9694	4.3446	2.4178	3.8340	2.5692	4.3002	1.7552	2.5188		2.4758
H16	3.4445	3.8871	3.4638	2.1636	2.1686	1.0909	4.3446	4.9694	3.8340	2.4178	4.3002	2.5692	2.5188	1.7552	2.4758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.476	C1	C2	H8	119.131
C1	C4	C6	111.945	C1	C4	H10	109.159
C1	C4	H12	109.578	C2	C1	C4	123.476
C2	C1	H7	119.131	C2	C3	C5	111.945
C2	C3	H9	109.159	C2	C3	H11	109.578
C3	C2	H8	117.393	C3	C5	C6	110.594
C3	C5	H13	109.072	C3	C5	H15	110.351
C4	C1	H7	117.393	C4	C6	C5	110.594
C4	C6	H14	109.072	C4	C6	H16	110.351
C5	C3	H9	109.824	C5	C3	H11	110.409
C5	C6	H14	108.918	C5	C6	H16	110.868
C6	C4	H10	109.824	C6	C4	H12	110.409
C6	C5	H13	108.918	C6	C5	H15	110.868
H9	C3	H11	105.729	H10	C4	H12	105.729
H13	C5	H15	106.941	H14	C6	H16	106.941

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: wB97X-D/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	-0.169
2	C	-0.169
3	C	-0.146
4	C	-0.146
5	C	-0.173
6	C	-0.173
7	H	0.121
8	H	0.121
9	H	0.094
10	H	0.094
11	H	0.091
12	H	0.091
13	H	0.088
14	H	0.088
15	H	0.093
16	H	0.093

	x	y	z	Total
	0.000	0.000	-0.329	0.329
CHELPG
AIM
ESP

	x	y	z
x	7.954	0.582	0.000
y	0.582	11.516	0.000
z	0.000	0.000	10.035

<r²>	153.315
(<r²>)^1/2	12.382

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)