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	hartrees
Energy at 0K	-155.919431
Energy at 298.15K	-155.925591
HF Energy	-155.919431
Nuclear repulsion energy	112.950085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3136	3095	29.72
2	A₁	2979	2940	58.45
3	A₁	1587	1566	1.84
4	A₁	1452	1433	0.59
5	A₁	1180	1164	2.52
6	A₁	1111	1096	0.02
7	A₁	981	968	0.01
8	A₁	864	853	0.86
9	A₂	3011	2971	0.00
10	A₂	1141	1126	0.00
11	A₂	1011	998	0.00
12	A₂	907	896	0.00
13	A₂	313	308	0.00
14	B₁	3025	2986	55.36
15	B₁	1073	1059	6.66
16	B₁	849	838	17.67
17	B₁	628	620	47.14
18	B₂	3104	3064	23.37
19	B₂	2974	2935	52.11
20	B₂	1435	1417	0.81
21	B₂	1287	1271	12.04
22	B₂	1207	1191	3.64
23	B₂	876	865	13.23
24	B₂	855	844	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.672	0.815
C2	0.000	-0.672	0.815
C3	0.000	0.787	-0.700
C4	0.000	-0.787	-0.700
H5	0.000	1.420	1.602
H6	0.000	-1.420	1.602
H7	0.890	1.246	-1.145
H8	-0.890	-1.246	-1.145
H9	-0.890	1.246	-1.145
H10	0.890	-1.246	-1.145

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3430	1.5188	2.1025	1.0869	2.2353	2.2279	2.8830	2.2279	2.8830
C2	1.3430		2.1025	1.5188	2.2353	1.0869	2.8830	2.2279	2.8830	2.2279
C3	1.5188	2.1025		1.5741	2.3876	3.1894	1.0963	2.2640	1.0963	2.2640
C4	2.1025	1.5188	1.5741		3.1894	2.3876	2.2640	1.0963	2.2640	1.0963
H5	1.0869	2.2353	2.3876	3.1894		2.8408	2.8933	3.9310	2.8933	3.9310
H6	2.2353	1.0869	3.1894	2.3876	2.8408		3.9310	2.8933	3.9310	2.8933
H7	2.2279	2.8830	1.0963	2.2640	2.8933	3.9310		3.0634	1.7805	2.4929
H8	2.8830	2.2279	2.2640	1.0963	3.9310	2.8933	3.0634		2.4929	1.7805
H9	2.2279	2.8830	1.0963	2.2640	2.8933	3.9310	1.7805	2.4929		3.0634
H10	2.8830	2.2279	2.2640	1.0963	3.9310	2.8933	2.4929	1.7805	3.0634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.309	C1	C2	H6	133.551
C1	C3	C4	85.691	C1	C3	H7	115.901
C1	C3	H9	115.901	C2	C1	C3	94.309
C2	C1	H5	133.551	C2	C4	C3	85.691
C2	C4	H8	115.901	C2	C4	H10	115.901
C3	C1	H5	132.139	C3	C4	H8	114.794
C3	C4	H10	114.794	C4	C2	H6	132.139
C4	C3	H7	114.794	C4	C3	H9	114.794
H7	C3	H9	108.535	H8	C4	H10	108.535

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.296
4	C	-0.296
5	H	0.136
6	H	0.136
7	H	0.121
8	H	0.121
9	H	0.121
10	H	0.121

<r²>	66.213
(<r²>)^1/2	8.137

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)