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	hartrees
Energy at 0K	-234.564798
Energy at 298.15K	-234.576359
Nuclear repulsion energy	236.748562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3182	3044	47.40
2	A	3094	2960	49.95
3	A	3066	2933	1.33
4	A	3043	2911	19.46
5	A	3018	2888	0.01
6	A	1747	1671	2.67
7	A	1526	1460	1.49
8	A	1497	1432	0.03
9	A	1401	1341	0.28
10	A	1392	1332	0.32
11	A	1283	1227	0.73
12	A	1261	1206	0.18
13	A	1172	1121	0.01
14	A	1104	1056	0.01
15	A	1090	1043	0.10
16	A	1000	957	0.01
17	A	927	887	0.74
18	A	843	806	0.03
19	A	831	795	1.33
20	A	501	479	0.04
21	A	401	384	0.00
22	A	279	267	0.09
23	B	3158	3022	10.27
24	B	3099	2965	58.01
25	B	3066	2933	89.40
26	B	3046	2914	12.61
27	B	3019	2888	67.66
28	B	1514	1449	4.52
29	B	1505	1440	5.88
30	B	1436	1373	0.10
31	B	1392	1331	2.23
32	B	1361	1302	1.28
33	B	1306	1250	1.92
34	B	1171	1120	4.15
35	B	1064	1018	4.06
36	B	1021	977	1.11
37	B	940	899	3.87
38	B	899	861	5.08
39	B	733	701	8.49
40	B	656	627	23.83
41	B	456	437	1.40
42	B	169	162	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.009	-0.668	1.301
C2	0.009	0.668	1.301
C3	0.000	1.499	0.046
C4	0.000	-1.499	0.046
C5	-0.370	0.669	-1.187
C6	0.370	-0.669	-1.187
H7	-0.025	-1.203	2.250
H8	0.025	1.203	2.250
H9	0.990	1.963	-0.093
H10	-0.990	-1.963	-0.093
H11	-0.701	2.338	0.163
H12	0.701	-2.338	0.163
H13	-1.453	0.481	-1.183
H14	1.453	-0.481	-1.183
H15	-0.152	1.233	-2.102
H16	0.152	-1.233	-2.102

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		1.3365	2.5040	1.5047	2.8477	2.5166	1.0899	2.0989	3.1402	2.1403	3.2877	2.1414	3.0946	2.8881	3.9011	3.4536
C2	1.3365		1.5047	2.5040	2.5166	2.8477	2.0989	1.0899	2.1403	3.1402	2.1414	3.2877	2.8881	3.0946	3.4536	3.9011
C3	2.5040	1.5047		2.9976	1.5316	2.5216	3.4871	2.2239	1.1020	3.6029	1.0990	3.9016	2.1583	2.7462	2.1704	3.4790
C4	1.5047	2.5040	2.9976		2.5216	1.5316	2.2239	3.4871	3.6029	1.1020	3.9016	1.0990	2.7462	2.1583	3.4790	2.1704
C5	2.8477	2.5166	1.5316	2.5216		1.5297	3.9295	3.5009	2.1724	2.9171	2.1711	3.4654	1.0991	2.1555	1.0971	2.1748
C6	2.5166	2.8477	2.5216	1.5316	1.5297		3.5009	3.9295	2.9171	2.1724	3.4654	2.1711	2.1555	1.0991	2.1748	1.0971
H7	1.0899	2.0989	3.4871	2.2239	3.9295	3.5009		2.4073	4.0675	2.6451	4.1657	2.4843	4.0819	3.8072	4.9898	4.3564
H8	2.0989	1.0899	2.2239	3.4871	3.5009	3.9295	2.4073		2.6451	4.0675	2.4843	4.1657	3.8072	4.0819	4.3564	4.9898
H9	3.1402	2.1403	1.1020	3.6029	2.1724	2.9171	4.0675	2.6451		4.3964	1.7502	4.3176	3.0580	2.7156	2.4237	3.8671
H10	2.1403	3.1402	3.6029	1.1020	2.9171	2.1724	2.6451	4.0675	4.3964		4.3176	1.7502	2.7156	3.0580	3.8671	2.4237
H11	3.2877	2.1414	1.0990	3.9016	2.1711	3.4654	4.1657	2.4843	1.7502	4.3176		4.8806	2.4133	3.7937	2.5790	4.3135
H12	2.1414	3.2877	3.9016	1.0990	3.4654	2.1711	2.4843	4.1657	4.3176	1.7502	4.8806		3.7937	2.4133	4.3135	2.5790
H13	3.0946	2.8881	2.1583	2.7462	1.0991	2.1555	4.0819	3.8072	3.0580	2.7156	2.4133	3.7937		3.0609	1.7619	2.5215
H14	2.8881	3.0946	2.7462	2.1583	2.1555	1.0991	3.8072	4.0819	2.7156	3.0580	3.7937	2.4133	3.0609		2.5215	1.7619
H15	3.9011	3.4536	2.1704	3.4790	1.0971	2.1748	4.9898	4.3564	2.4237	3.8671	2.5790	4.3135	1.7619	2.5215		2.4848
H16	3.4536	3.9011	3.4790	2.1704	2.1748	1.0971	4.3564	4.9898	3.8671	2.4237	4.3135	2.5790	2.5215	1.7619	2.4848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.496	C1	C2	H8	119.420
C1	C4	C6	111.953	C1	C4	H10	109.414
C1	C4	H12	109.675	C2	C1	C4	123.496
C2	C1	H7	119.420	C2	C3	C5	111.953
C2	C3	H9	109.414	C2	C3	H11	109.675
C3	C2	H8	117.083	C3	C5	C6	110.920
C3	C5	H13	109.144	C3	C5	H15	110.214
C4	C1	H7	117.083	C4	C6	C5	110.920
C4	C6	H14	109.144	C4	C6	H16	110.214
C5	C3	H9	110.086	C5	C3	H11	110.154
C5	C6	H14	109.064	C5	C6	H16	110.698
C6	C4	H10	110.086	C6	C4	H12	110.154
C6	C5	H13	109.064	C6	C5	H15	110.698
H9	C3	H11	105.347	H10	C4	H12	105.347
H13	C5	H15	106.690	H14	C6	H16	106.690

All results from a given calculation for C₆H₁₀ (cyclohexene)

using model chemistry: B3PW91/6-31G*

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	-0.134
2	C	-0.134
3	C	-0.350
4	C	-0.350
5	C	-0.320
6	C	-0.320
7	H	0.148
8	H	0.148
9	H	0.169
10	H	0.169
11	H	0.167
12	H	0.167
13	H	0.163
14	H	0.163
15	H	0.158
16	H	0.158

<r²>	154.012
(<r²>)^1/2	12.410

All results from a given calculation for C6H10 (cyclohexene)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for C₆H₁₀ (cyclohexene)