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	hartrees
Energy at 0K	-155.026420
Energy at 298.15K	-155.032548
Nuclear repulsion energy	111.209497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3161	3141	23.16
2	A₁	2999	2980	34.80
3	A₁	1562	1552	0.38
4	A₁	1487	1477	0.36
5	A₁	1175	1167	2.92
6	A₁	1095	1087	0.06
7	A₁	946	940	0.05
8	A₁	811	805	1.22
9	A₂	3037	3017	0.00
10	A₂	1155	1147	0.00
11	A₂	1009	1003	0.00
12	A₂	918	912	0.00
13	A₂	316	314	0.00
14	B₁	3053	3033	48.13
15	B₁	1094	1087	2.87
16	B₁	852	846	15.07
17	B₁	642	638	53.64
18	B₂	3125	3104	14.23
19	B₂	2993	2973	35.03
20	B₂	1478	1469	0.29
21	B₂	1275	1267	9.66
22	B₂	1214	1206	11.37
23	B₂	874	868	1.77
24	B₂	831	825	7.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.678	0.831
C2	0.000	-0.678	0.831
C3	0.000	0.808	-0.716
C4	0.000	-0.808	-0.716
H5	0.000	1.429	1.619
H6	0.000	-1.429	1.619
H7	0.904	1.257	-1.155
H8	-0.904	-1.257	-1.155
H9	-0.904	1.257	-1.155
H10	0.904	-1.257	-1.155

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3561	1.5533	2.1456	1.0885	2.2497	2.2579	2.9169	2.2579	2.9169
C2	1.3561		2.1456	1.5533	2.2497	1.0885	2.9169	2.2579	2.9169	2.2579
C3	1.5533	2.1456		1.6157	2.4168	3.2341	1.1009	2.2968	1.1009	2.2968
C4	2.1456	1.5533	1.6157		3.2341	2.4168	2.2968	1.1009	2.2968	1.1009
H5	1.0885	2.2497	2.4168	3.2341		2.8585	2.9226	3.9661	2.9226	3.9661
H6	2.2497	1.0885	3.2341	2.4168	2.8585		3.9661	2.9226	3.9661	2.9226
H7	2.2579	2.9169	1.1009	2.2968	2.9226	3.9661		3.0977	1.8086	2.5149
H8	2.9169	2.2579	2.2968	1.1009	3.9661	2.9226	3.0977		2.5149	1.8086
H9	2.2579	2.9169	1.1009	2.2968	2.9226	3.9661	1.8086	2.5149		3.0977
H10	2.9169	2.2579	2.2968	1.1009	3.9661	2.9226	2.5149	1.8086	3.0977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.794	C1	C2	H6	133.640
C1	C3	C4	85.206	C1	C3	H7	115.518
C1	C3	H9	115.518	C2	C1	C3	94.794
C2	C1	H5	133.640	C2	C4	C3	85.206
C2	C4	H8	115.518	C2	C4	H10	115.518
C3	C1	H5	131.566	C3	C4	H8	114.104
C3	C4	H10	114.104	C4	C2	H6	131.566
C4	C3	H7	114.104	C4	C3	H9	114.104
H7	C3	H9	110.457	H8	C4	H10	110.457

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: BLYP/3-21G*

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	-0.146
2	C	-0.146
3	C	-0.364
4	C	-0.364
5	H	0.144
6	H	0.144
7	H	0.183
8	H	0.183
9	H	0.183
10	H	0.183

<r²>	67.567
(<r²>)^1/2	8.220

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)