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	hartrees
Energy at 0K	-153.980537
Energy at 298.15K	-153.986556
Nuclear repulsion energy	110.881168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3378	3125	0.70
2	A₁	3224	2983	3.60
3	A₁	1705	1577	0.16
4	A₁	1603	1484	0.03
5	A₁	1291	1194	0.16
6	A₁	1168	1080	0.72
7	A₁	1036	959	0.17
8	A₁	946	876	0.09
9	A₂	3331	3082	0.00
10	A₂	1222	1131	0.00
11	A₂	1083	1002	0.00
12	A₂	934	865	0.00
13	A₂	328	303	0.00
14	B₁	3339	3089	7.08
15	B₁	1145	1059	1.24
16	B₁	891	824	3.15
17	B₁	680	629	28.72
18	B₂	3332	3083	3.61
19	B₂	3219	2978	3.47
20	B₂	1595	1476	0.62
21	B₂	1382	1279	11.50
22	B₂	1284	1188	2.44
23	B₂	941	870	2.57
24	B₂	896	829	2.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.679	0.833
C2	0.000	-0.679	0.833
C3	0.000	0.803	-0.717
C4	0.000	-0.803	-0.717
H5	0.000	1.448	1.629
H6	0.000	-1.448	1.629
H7	0.908	1.265	-1.164
H8	-0.908	-1.265	-1.164
H9	-0.908	1.265	-1.164
H10	0.908	-1.265	-1.164

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3584	1.5551	2.1447	1.1063	2.2710	2.2709	2.9315	2.2709	2.9315
C2	1.3584		2.1447	1.5551	2.2710	1.1063	2.9315	2.2709	2.9315	2.2709
C3	1.5551	2.1447		1.6057	2.4328	3.2509	1.1127	2.3022	1.1127	2.3022
C4	2.1447	1.5551	1.6057		3.2509	2.4328	2.3022	1.1127	2.3022	1.1127
H5	1.1063	2.2710	2.4328	3.2509		2.8958	2.9425	3.9980	2.9425	3.9980
H6	2.2710	1.1063	3.2509	2.4328	2.8958		3.9980	2.9425	3.9980	2.9425
H7	2.2709	2.9315	1.1127	2.3022	2.9425	3.9980		3.1143	1.8163	2.5298
H8	2.9315	2.2709	2.3022	1.1127	3.9980	2.9425	3.1143		2.5298	1.8163
H9	2.2709	2.9315	1.1127	2.3022	2.9425	3.9980	1.8163	2.5298		3.1143
H10	2.9315	2.2709	2.3022	1.1127	3.9980	2.9425	2.5298	1.8163	3.1143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.561	C1	C2	H6	134.017
C1	C3	C4	85.439	C1	C3	H7	115.695
C1	C3	H9	115.695	C2	C1	C3	94.561
C2	C1	H5	134.017	C2	C4	C3	85.439
C2	C4	H8	115.695	C2	C4	H10	115.695
C3	C1	H5	131.422	C3	C4	H8	114.534
C3	C4	H10	114.534	C4	C2	H6	131.422
C4	C3	H7	114.534	C4	C3	H9	114.534
H7	C3	H9	109.404	H8	C4	H10	109.404

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: BLYP/STO-3G

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	-0.083
2	C	-0.083
3	C	-0.131
4	C	-0.131
5	H	0.071
6	H	0.071
7	H	0.071
8	H	0.071
9	H	0.071
10	H	0.071

<r²>	66.815
(<r²>)^1/2	8.174

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)