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	hartrees
Energy at 0K	-155.093299
Energy at 298.15K	-155.099426
Nuclear repulsion energy	113.429663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3150	3103	17.53
2	A₁	2986	2941	35.81
3	A₁	1615	1591	1.11
4	A₁	1418	1396	1.98
5	A₁	1171	1154	5.43
6	A₁	1132	1115	0.06
7	A₁	988	973	0.81
8	A₁	911	897	2.82
9	A₂	3030	2984	0.00
10	A₂	1115	1098	0.00
11	A₂	992	977	0.00
12	A₂	895	882	0.00
13	A₂	307	302	0.00
14	B₁	3041	2995	28.36
15	B₁	1053	1037	5.89
16	B₁	838	826	17.84
17	B₁	617	607	62.15
18	B₂	3119	3072	11.09
19	B₂	2982	2938	33.81
20	B₂	1390	1369	3.68
21	B₂	1287	1268	15.00
22	B₂	1180	1162	5.40
23	B₂	903	889	22.34
24	B₂	834	821	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.672	0.807
C2	0.000	-0.672	0.807
C3	0.000	0.777	-0.692
C4	0.000	-0.777	-0.692
H5	0.000	1.429	1.599
H6	0.000	-1.429	1.599
H7	0.895	1.241	-1.144
H8	-0.895	-1.241	-1.144
H9	-0.895	1.241	-1.144
H10	0.895	-1.241	-1.144

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3450	1.5019	2.0847	1.0958	2.2462	2.2206	2.8756	2.2206	2.8756
C2	1.3450		2.0847	1.5019	2.2462	1.0958	2.8756	2.2206	2.8756	2.2206
C3	1.5019	2.0847		1.5541	2.3819	3.1805	1.1054	2.2537	1.1054	2.2537
C4	2.0847	1.5019	1.5541		3.1805	2.3819	2.2537	1.1054	2.2537	1.1054
H5	1.0958	2.2462	2.3819	3.1805		2.8585	2.8920	3.9317	2.8920	3.9317
H6	2.2462	1.0958	3.1805	2.3819	2.8585		3.9317	2.8920	3.9317	2.8920
H7	2.2206	2.8756	1.1054	2.2537	2.8920	3.9317		3.0606	1.7909	2.4820
H8	2.8756	2.2206	2.2537	1.1054	3.9317	2.8920	3.0606		2.4820	1.7909
H9	2.2206	2.8756	1.1054	2.2537	2.8920	3.9317	1.7909	2.4820		3.0606
H10	2.8756	2.2206	2.2537	1.1054	3.9317	2.8920	2.4820	1.7909	3.0606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	93.991	C1	C2	H6	133.674
C1	C3	C4	86.009	C1	C3	H7	115.954
C1	C3	H9	115.954	C2	C1	C3	93.991
C2	C1	H5	133.674	C2	C4	C3	86.009
C2	C4	H8	115.954	C2	C4	H10	115.954
C3	C1	H5	132.335	C3	C4	H8	114.818
C3	C4	H10	114.818	C4	C2	H6	132.335
C4	C3	H7	114.818	C4	C3	H9	114.818
H7	C3	H9	108.204	H8	C4	H10	108.204

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: LSDA/6-31+G**

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	-0.086
2	C	-0.086
3	C	-0.433
4	C	-0.433
5	H	0.148
6	H	0.148
7	H	0.185
8	H	0.185
9	H	0.185
10	H	0.185

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: LSDA/6-31+G**

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)