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	hartrees
Energy at 0K	-234.557706
Energy at 298.15K	-234.569241
Nuclear repulsion energy	237.869496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3171	3040	51.31
2	A	3089	2961	59.78
3	A	3061	2935	0.73
4	A	3035	2909	18.15
5	A	3015	2890	0.02
6	A	1741	1669	2.77
7	A	1505	1443	2.74
8	A	1480	1418	0.17
9	A	1387	1330	0.10
10	A	1382	1325	0.30
11	A	1277	1224	0.49
12	A	1254	1202	0.13
13	A	1162	1114	0.07
14	A	1096	1051	0.00
15	A	1088	1043	0.10
16	A	997	956	0.01
17	A	926	888	1.13
18	A	846	811	0.00
19	A	820	786	1.27
20	A	495	474	0.05
21	A	398	382	0.01
22	A	271	260	0.06
23	B	3147	3016	12.67
24	B	3092	2964	63.32
25	B	3061	2935	98.09
26	B	3039	2914	19.09
27	B	3015	2891	69.87
28	B	1496	1434	7.08
29	B	1488	1426	9.91
30	B	1426	1367	0.02
31	B	1379	1322	1.13
32	B	1349	1293	1.92
33	B	1301	1247	2.05
34	B	1165	1117	5.43
35	B	1058	1015	4.58
36	B	1016	974	1.25
37	B	932	893	5.32
38	B	899	862	6.60
39	B	726	696	12.82
40	B	650	623	26.08
41	B	440	422	1.23
42	B	165	158	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.127	-0.653	1.293
C2	0.127	0.653	1.293
C3	0.257	1.470	0.043
C4	-0.257	-1.470	0.043
C5	-0.257	0.717	-1.178
C6	0.257	-0.717	-1.178
H7	-0.238	-1.172	2.241
H8	0.238	1.172	2.241
H9	1.307	1.755	-0.101
H10	-1.307	-1.755	-0.101
H11	-0.284	2.415	0.163
H12	0.284	-2.415	0.163
H13	-1.352	0.704	-1.157
H14	1.352	-0.704	-1.157
H15	0.034	1.235	-2.095
H16	-0.034	-1.235	-2.095

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3301	2.4935	1.4991	2.8284	2.5015	1.0870	2.0889	3.1305	2.1340	3.2728	2.1329	3.0573	2.8623	3.8823	3.4394
C2	1.3301		1.4991	2.4935	2.5015	2.8284	2.0889	1.0870	2.1340	3.1305	2.1329	3.2728	2.8623	3.0573	3.4394	3.8823
C3	2.4935	1.4991		2.9855	1.5242	2.5054	3.4729	2.2182	1.0979	3.5880	1.0949	3.8870	2.1489	2.7146	2.1631	3.4611
C4	1.4991	2.4935	2.9855		2.5054	1.5242	2.2182	3.4729	3.5880	1.0979	3.8870	1.0949	2.7146	2.1489	3.4611	2.1631
C5	2.8284	2.5015	1.5242	2.5054		1.5235	3.9067	3.4848	2.1643	2.8940	2.1635	3.4495	1.0955	2.1469	1.0929	2.1687
C6	2.5015	2.8284	2.5054	1.5242	1.5235		3.4848	3.9067	2.8940	2.1643	3.4495	2.1635	2.1469	1.0955	2.1687	1.0929
H7	1.0870	2.0889	3.4729	2.2182	3.9067	3.4848		2.3925	4.0554	2.6405	4.1458	2.4768	4.0389	3.7811	4.9676	4.3420
H8	2.0889	1.0870	2.2182	3.4729	3.4848	3.9067	2.3925		2.6405	4.0554	2.4768	4.1458	3.7811	4.0389	4.3420	4.9676
H9	3.1305	2.1340	1.0979	3.5880	2.1643	2.8940	4.0554	2.6405		4.3773	1.7431	4.3016	3.0485	2.6767	2.4226	3.8364
H10	2.1340	3.1305	3.5880	1.0979	2.8940	2.1643	2.6405	4.0554	4.3773		4.3016	1.7431	2.6767	3.0485	3.8364	2.4226
H11	3.2728	2.1329	1.0949	3.8870	2.1635	3.4495	4.1458	2.4768	1.7431	4.3016		4.8626	2.4102	3.7613	2.5676	4.2994
H12	2.1329	3.2728	3.8870	1.0949	3.4495	2.1635	2.4768	4.1458	4.3016	1.7431	4.8626		3.7613	2.4102	4.2994	2.5676
H13	3.0573	2.8623	2.1489	2.7146	1.0955	2.1469	4.0389	3.7811	3.0485	2.6767	2.4102	3.7613		3.0489	1.7559	2.5258
H14	2.8623	3.0573	2.7146	2.1489	2.1469	1.0955	3.7811	4.0389	2.6767	3.0485	3.7613	2.4102	3.0489		2.5258	1.7559
H15	3.8823	3.4394	2.1631	3.4611	1.0929	2.1687	4.9676	4.3420	2.4226	3.8364	2.5676	4.2994	1.7559	2.5258		2.4714
H16	3.4394	3.8823	3.4611	2.1631	2.1687	1.0929	4.3420	4.9676	3.8364	2.4226	4.2994	2.5676	2.5258	1.7559	2.4714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.502	C1	C2	H8	119.253
C1	C4	C6	111.660	C1	C4	H10	109.545
C1	C4	H12	109.637	C2	C1	C4	123.502
C2	C1	H7	119.253	C2	C3	C5	111.660
C2	C3	H9	109.545	C2	C3	H11	109.637
C3	C2	H8	117.242	C3	C5	C6	110.583
C3	C5	H13	109.131	C3	C5	H15	110.401
C4	C1	H7	117.242	C4	C6	C5	110.583
C4	C6	H14	109.131	C4	C6	H16	110.401
C5	C3	H9	110.196	C5	C3	H11	110.310
C5	C6	H14	109.023	C5	C6	H16	110.894
C6	C4	H10	110.196	C6	C4	H12	110.310
C6	C5	H13	109.023	C6	C5	H15	110.894
H9	C3	H11	105.296	H10	C4	H12	105.296
H13	C5	H15	106.707	H14	C6	H16	106.707

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: B1B95/6-311G*

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	-0.174
2	C	-0.174
3	C	-0.454
4	C	-0.454
5	C	-0.452
6	C	-0.452
7	H	0.193
8	H	0.193
9	H	0.223
10	H	0.223
11	H	0.224
12	H	0.224
13	H	0.222
14	H	0.222
15	H	0.219
16	H	0.219

	x	y	z	Total
	0.000	0.000	-0.264	0.264
CHELPG
AIM
ESP

	x	y	z
x	7.451	0.649	0.000
y	0.649	11.140	0.000
z	0.000	0.000	9.574

<r²>	152.987
(<r²>)^1/2	12.369

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)