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	hartrees
Energy at 0K	-155.792035
Energy at 298.15K	-155.798285
Nuclear repulsion energy	113.423221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3247	3088	25.64
2	A₁	3080	2929	44.59
3	A₁	1678	1596	0.62
4	A₁	1517	1442	0.02
5	A₁	1242	1181	1.65
6	A₁	1158	1102	0.03
7	A₁	1024	974	0.03
8	A₁	928	883	1.42
9	A₂	3118	2965	0.00
10	A₂	1187	1129	0.00
11	A₂	1052	1001	0.00
12	A₂	946	900	0.00
13	A₂	320	304	0.00
14	B₁	3132	2979	54.20
15	B₁	1116	1062	4.04
16	B₁	884	841	13.72
17	B₁	656	624	46.44
18	B₂	3215	3057	17.68
19	B₂	3074	2923	44.57
20	B₂	1493	1420	0.10
21	B₂	1349	1283	12.99
22	B₂	1249	1187	4.18
23	B₂	928	883	14.02
24	B₂	862	820	1.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.669	0.811
C2	0.000	-0.669	0.811
C3	0.000	0.781	-0.696
C4	0.000	-0.781	-0.696
H5	0.000	1.420	1.597
H6	0.000	-1.420	1.597
H7	0.890	1.241	-1.142
H8	-0.890	-1.241	-1.142
H9	-0.890	1.241	-1.142
H10	0.890	-1.241	-1.142

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3383	1.5104	2.0907	1.0870	2.2321	2.2208	2.8727	2.2208	2.8727
C2	1.3383		2.0907	1.5104	2.2321	1.0870	2.8727	2.2208	2.8727	2.2208
C3	1.5104	2.0907		1.5614	2.3798	3.1777	1.0966	2.2531	1.0966	2.2531
C4	2.0907	1.5104	1.5614		3.1777	2.3798	2.2531	1.0966	2.2531	1.0966
H5	1.0870	2.2321	2.3798	3.1777		2.8400	2.8854	3.9206	2.8854	3.9206
H6	2.2321	1.0870	3.1777	2.3798	2.8400		3.9206	2.8854	3.9206	2.8854
H7	2.2208	2.8727	1.0966	2.2531	2.8854	3.9206		3.0533	1.7796	2.4811
H8	2.8727	2.2208	2.2531	1.0966	3.9206	2.8854	3.0533		2.4811	1.7796
H9	2.2208	2.8727	1.0966	2.2531	2.8854	3.9206	1.7796	2.4811		3.0533
H10	2.8727	2.2208	2.2531	1.0966	3.9206	2.8854	2.4811	1.7796	3.0533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.236	C1	C2	H6	133.689
C1	C3	C4	85.764	C1	C3	H7	115.916
C1	C3	H9	115.916	C2	C1	C3	94.236
C2	C1	H5	133.689	C2	C4	C3	85.764
C2	C4	H8	115.916	C2	C4	H10	115.916
C3	C1	H5	132.075	C3	C4	H8	114.791
C3	C4	H10	114.791	C4	C2	H6	132.075
C4	C3	H7	114.791	C4	C3	H9	114.791
H7	C3	H9	108.465	H8	C4	H10	108.465

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: HSEh1PBE/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	-0.134
2	C	-0.134
3	C	-0.363
4	C	-0.363
5	H	0.152
6	H	0.152
7	H	0.172
8	H	0.172
9	H	0.172
10	H	0.172

<r²>	65.329
(<r²>)^1/2	8.083

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)