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	hartrees
Energy at 0K	-38.749818
Energy at 298.15K	-38.761721
Nuclear repulsion energy	128.825488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3327	3006	61.00
2	A	3217	2906	95.78
3	A	3204	2895	2.36
4	A	3174	2868	21.79
5	A	3163	2858	3.60
6	A	1839	1661	4.32
7	A	1642	1483	0.62
8	A	1613	1457	0.15
9	A	1516	1370	1.09
10	A	1509	1363	0.18
11	A	1371	1238	1.35
12	A	1344	1214	0.02
13	A	1252	1131	0.07
14	A	1197	1081	0.06
15	A	1139	1029	0.04
16	A	1103	997	0.00
17	A	960	867	1.37
18	A	888	802	0.39
19	A	867	783	0.00
20	A	528	477	0.03
21	A	427	386	0.02
22	A	294	266	0.01
23	B	3301	2982	20.67
24	B	3225	2913	140.78
25	B	3201	2892	133.96
26	B	3172	2865	24.80
27	B	3163	2857	100.77
28	B	1626	1469	1.74
29	B	1620	1464	3.79
30	B	1538	1390	0.28
31	B	1512	1366	4.26
32	B	1463	1322	1.31
33	B	1396	1261	3.80
34	B	1255	1134	9.93
35	B	1107	1000	2.32
36	B	1092	987	1.98
37	B	1013	915	8.93
38	B	933	843	3.96
39	B	790	713	20.41
40	B	705	637	22.39
41	B	481	434	0.84
42	B	180	162	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.005	-0.664	1.309
C2	0.005	0.664	1.309
C3	0.000	1.505	0.045
C4	0.000	-1.505	0.045
C5	-0.374	0.671	-1.193
C6	0.374	-0.671	-1.193
H7	-0.019	-1.193	2.251
H8	0.019	1.193	2.251
H9	0.984	1.958	-0.090
H10	-0.984	-1.958	-0.090
H11	-0.697	2.333	0.163
H12	0.697	-2.333	0.163
H13	-1.447	0.484	-1.189
H14	1.447	-0.484	-1.189
H15	-0.153	1.231	-2.099
H16	0.153	-1.231	-2.099

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3290	2.5109	1.5181	2.8593	2.5298	1.0804	2.0826	3.1321	2.1415	3.2825	2.1423	3.1046	2.8955	3.9025	3.4585
C2	1.3290		1.5181	2.5109	2.5298	2.8593	2.0826	1.0804	2.1415	3.1321	2.1423	3.2825	2.8955	3.1046	3.4585	3.9025
C3	2.5109	1.5181		3.0100	1.5380	2.5309	3.4851	2.2286	1.0912	3.6021	1.0890	3.9026	2.1587	2.7519	2.1669	3.4794
C4	1.5181	2.5109	3.0100		2.5309	1.5380	2.2286	3.4851	3.6021	1.0912	3.9026	1.0890	2.7519	2.1587	3.4794	2.1669
C5	2.8593	2.5298	1.5380	2.5309		1.5360	3.9316	3.5050	2.1708	2.9150	2.1692	3.4655	1.0899	2.1562	1.0883	2.1721
C6	2.5298	2.8593	2.5309	1.5380	1.5360		3.5050	3.9316	2.9150	2.1708	3.4655	2.1692	2.1562	1.0899	2.1721	1.0883
H7	1.0804	2.0826	3.4851	2.2286	3.9316	3.5050		2.3853	4.0510	2.6452	4.1530	2.4845	4.0849	3.8067	4.9818	4.3541
H8	2.0826	1.0804	2.2286	3.4851	3.5050	3.9316	2.3853		2.6452	4.0510	2.4845	4.1530	3.8067	4.0849	4.3541	4.9818
H9	3.1321	2.1415	1.0912	3.6021	2.1708	2.9150	4.0510	2.6452		4.3816	1.7410	4.3075	3.0479	2.7173	2.4202	3.8592
H10	2.1415	3.1321	3.6021	1.0912	2.9150	2.1708	2.6452	4.0510	4.3816		4.3075	1.7410	2.7173	3.0479	3.8592	2.4202
H11	3.2825	2.1423	1.0890	3.9026	2.1692	3.4655	4.1530	2.4845	1.7410	4.3075		4.8699	2.4108	3.7900	2.5750	4.3065
H12	2.1423	3.2825	3.9026	1.0890	3.4655	2.1692	2.4845	4.1530	4.3075	1.7410	4.8699		3.7900	2.4108	4.3065	2.5750
H13	3.1046	2.8955	2.1587	2.7519	1.0899	2.1562	4.0849	3.8067	3.0479	2.7173	2.4108	3.7900		3.0520	1.7494	2.5161
H14	2.8955	3.1046	2.7519	2.1587	2.1562	1.0899	3.8067	4.0849	2.7173	3.0479	3.7900	2.4108	3.0520		2.5161	1.7494
H15	3.9025	3.4585	2.1669	3.4794	1.0883	2.1721	4.9818	4.3541	2.4202	3.8592	2.5750	4.3065	1.7494	2.5161		2.4810
H16	3.4585	3.9025	3.4794	2.1669	2.1721	1.0883	4.3541	4.9818	3.8592	2.4202	4.3065	2.5750	2.5161	1.7494	2.4810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.618	C1	C2	H8	119.266
C1	C4	C6	111.745	C1	C4	H10	109.223
C1	C4	H12	109.416	C2	C1	C4	123.618
C2	C1	H7	119.266	C2	C3	C5	111.745
C2	C3	H9	109.223	C2	C3	H11	109.416
C3	C2	H8	117.116	C3	C5	C6	110.834
C3	C5	H13	109.272	C3	C5	H15	110.009
C4	C1	H7	117.116	C4	C6	C5	110.834
C4	C6	H14	109.272	C4	C6	H16	110.009
C5	C3	H9	110.146	C5	C3	H11	110.156
C5	C6	H14	109.212	C5	C6	H16	110.558
C6	C4	H10	110.146	C6	C4	H12	110.156
C6	C5	H13	109.212	C6	C5	H15	110.558
H9	C3	H11	105.986	H10	C4	H12	105.986
H13	C5	H15	106.861	H14	C6	H16	106.861

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: HF/CEP-121G*

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	-0.231
2	C	-0.231
3	C	-0.298
4	C	-0.298
5	C	-0.321
6	C	-0.321
7	H	0.202
8	H	0.202
9	H	0.152
10	H	0.152
11	H	0.170
12	H	0.170
13	H	0.147
14	H	0.147
15	H	0.178
16	H	0.178

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)