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	hartrees
Energy at 0K	-155.890460
Energy at 298.15K	-155.896596
Nuclear repulsion energy	112.201186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3128	3104	32.72
2	A₁	2966	2943	53.07
3	A₁	1595	1582	1.43
4	A₁	1462	1450	0.12
5	A₁	1182	1173	0.56
6	A₁	1104	1095	0.00
7	A₁	976	969	0.00
8	A₁	856	849	0.72
9	A₂	2997	2974	0.00
10	A₂	1139	1130	0.00
11	A₂	1012	1004	0.00
12	A₂	904	897	0.00
13	A₂	315	312	0.00
14	B₁	3011	2988	67.41
15	B₁	1071	1063	3.33
16	B₁	852	845	10.05
17	B₁	632	627	35.95
18	B₂	3097	3073	22.28
19	B₂	2962	2939	50.58
20	B₂	1445	1434	0.06
21	B₂	1290	1280	9.22
22	B₂	1200	1191	2.78
23	B₂	874	867	9.32
24	B₂	841	834	1.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.676	0.820
C2	0.000	-0.676	0.820
C3	0.000	0.793	-0.704
C4	0.000	-0.793	-0.704
H5	0.000	1.430	1.612
H6	0.000	-1.430	1.612
H7	0.895	1.257	-1.154
H8	-0.895	-1.257	-1.154
H9	-0.895	1.257	-1.154
H10	0.895	-1.257	-1.154

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3514	1.5285	2.1165	1.0935	2.2498	2.2440	2.9038	2.2440	2.9038
C2	1.3514		2.1165	1.5285	2.2498	1.0935	2.9038	2.2440	2.9038	2.2440
C3	1.5285	2.1165		1.5857	2.4016	3.2100	1.1037	2.2810	1.1037	2.2810
C4	2.1165	1.5285	1.5857		3.2100	2.4016	2.2810	1.1037	2.2810	1.1037
H5	1.0935	2.2498	2.4016	3.2100		2.8606	2.9120	3.9584	2.9120	3.9584
H6	2.2498	1.0935	3.2100	2.4016	2.8606		3.9584	2.9120	3.9584	2.9120
H7	2.2440	2.9038	1.1037	2.2810	2.9120	3.9584		3.0850	1.7893	2.5130
H8	2.9038	2.2440	2.2810	1.1037	3.9584	2.9120	3.0850		2.5130	1.7893
H9	2.2440	2.9038	1.1037	2.2810	2.9120	3.9584	1.7893	2.5130		3.0850
H10	2.9038	2.2440	2.2810	1.1037	3.9584	2.9120	2.5130	1.7893	3.0850

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.396	C1	C2	H6	133.636
C1	C3	C4	85.604	C1	C3	H7	116.039
C1	C3	H9	116.039	C2	C1	C3	94.396
C2	C1	H5	133.636	C2	C4	C3	85.604
C2	C4	H8	116.039	C2	C4	H10	116.039
C3	C1	H5	131.968	C3	C4	H8	114.839
C3	C4	H10	114.839	C4	C2	H6	131.968
C4	C3	H7	114.839	C4	C3	H9	114.839
H7	C3	H9	108.311	H8	C4	H10	108.311

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: BLYP/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	-0.038
2	C	-0.038
3	C	-0.189
4	C	-0.189
5	H	0.051
6	H	0.051
7	H	0.088
8	H	0.088
9	H	0.088
10	H	0.088

<r²>	66.606
(<r²>)^1/2	8.161

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)