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	hartrees
Energy at 0K	-155.775096
Energy at 298.15K	-155.781346
HF Energy	-155.605235
Nuclear repulsion energy	113.130960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3251	3086	25.97
2	A₁	3089	2932	44.55
3	A₁	1651	1568	0.79
4	A₁	1541	1463	0.03
5	A₁	1252	1188	0.90
6	A₁	1157	1098	0.03
7	A₁	1024	972	0.00
8	A₁	914	867	1.09
9	A₂	3125	2966	0.00
10	A₂	1198	1137	0.00
11	A₂	1063	1009	0.00
12	A₂	931	884	0.00
13	A₂	317	301	0.00
14	B₁	3139	2980	59.86
15	B₁	1125	1068	4.09
16	B₁	891	846	11.97
17	B₁	659	625	43.39
18	B₂	3221	3057	17.42
19	B₂	3083	2926	44.42
20	B₂	1521	1443	0.00
21	B₂	1353	1284	11.52
22	B₂	1262	1198	3.46
23	B₂	922	875	11.17
24	B₂	867	823	1.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.671	0.814
C2	0.000	-0.671	0.814
C3	0.000	0.784	-0.699
C4	0.000	-0.784	-0.699
H5	0.000	1.420	1.600
H6	0.000	-1.420	1.600
H7	0.889	1.243	-1.144
H8	-0.889	-1.243	-1.144
H9	-0.889	1.243	-1.144
H10	0.889	-1.243	-1.144

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3429	1.5165	2.0990	1.0853	2.2342	2.2248	2.8789	2.2248	2.8789
C2	1.3429		2.0990	1.5165	2.2342	1.0853	2.8789	2.2248	2.8789	2.2248
C3	1.5165	2.0990		1.5682	2.3846	3.1843	1.0949	2.2577	1.0949	2.2577
C4	2.0990	1.5165	1.5682		3.1843	2.3846	2.2577	1.0949	2.2577	1.0949
H5	1.0853	2.2342	2.3846	3.1843		2.8397	2.8897	3.9255	2.8897	3.9255
H6	2.2342	1.0853	3.1843	2.3846	2.8397		3.9255	2.8897	3.9255	2.8897
H7	2.2248	2.8789	1.0949	2.2577	2.8897	3.9255		3.0559	1.7773	2.4859
H8	2.8789	2.2248	2.2577	1.0949	3.9255	2.8897	3.0559		2.4859	1.7773
H9	2.2248	2.8789	1.0949	2.2577	2.8897	3.9255	1.7773	2.4859		3.0559
H10	2.8789	2.2248	2.2577	1.0949	3.9255	2.8897	2.4859	1.7773	3.0559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.261	C1	C2	H6	133.597
C1	C3	C4	85.739	C1	C3	H7	115.916
C1	C3	H9	115.916	C2	C1	C3	94.261
C2	C1	H5	133.597	C2	C4	C3	85.739
C2	C4	H8	115.916	C2	C4	H10	115.916
C3	C1	H5	132.143	C3	C4	H8	114.775
C3	C4	H10	114.775	C4	C2	H6	132.143
C4	C3	H7	114.775	C4	C3	H9	114.775
H7	C3	H9	108.506	H8	C4	H10	108.506

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: B2PLYP/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	-0.120
2	C	-0.120
3	C	-0.322
4	C	-0.322
5	H	0.138
6	H	0.138
7	H	0.152
8	H	0.152
9	H	0.152
10	H	0.152

<r²>	65.756
(<r²>)^1/2	8.109

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)