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	hartrees
Energy at 0K	-155.079178
Energy at 298.15K	-155.085322
Nuclear repulsion energy	113.505253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3154	3095	19.76
2	A₁	2992	2936	33.06
3	A₁	1634	1603	0.24
4	A₁	1446	1419	0.88
5	A₁	1185	1163	3.42
6	A₁	1140	1119	0.00
7	A₁	995	977	0.48
8	A₁	919	902	1.95
9	A₂	3033	2976	0.00
10	A₂	1132	1111	0.00
11	A₂	1007	988	0.00
12	A₂	902	885	0.00
13	A₂	313	307	0.00
14	B₁	3045	2988	34.18
15	B₁	1068	1048	2.64
16	B₁	850	834	11.85
17	B₁	624	612	48.88
18	B₂	3123	3064	12.04
19	B₂	2989	2933	31.50
20	B₂	1420	1394	1.58
21	B₂	1303	1279	13.21
22	B₂	1190	1167	4.89
23	B₂	910	893	17.81
24	B₂	838	823	1.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.671	0.806
C2	0.000	-0.671	0.806
C3	0.000	0.776	-0.691
C4	0.000	-0.776	-0.691
H5	0.000	1.430	1.598
H6	0.000	-1.430	1.598
H7	0.895	1.241	-1.145
H8	-0.895	-1.241	-1.145
H9	-0.895	1.241	-1.145
H10	0.895	-1.241	-1.145

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3424	1.5009	2.0826	1.0962	2.2450	2.2209	2.8745	2.2209	2.8745
C2	1.3424		2.0826	1.5009	2.2450	1.0962	2.8745	2.2209	2.8745	2.2209
C3	1.5009	2.0826		1.5528	2.3801	3.1788	1.1057	2.2528	1.1057	2.2528
C4	2.0826	1.5009	1.5528		3.1788	2.3801	2.2528	1.1057	2.2528	1.1057
H5	1.0962	2.2450	2.3801	3.1788		2.8595	2.8912	3.9311	2.8912	3.9311
H6	2.2450	1.0962	3.1788	2.3801	2.8595		3.9311	2.8912	3.9311	2.8912
H7	2.2209	2.8745	1.1057	2.2528	2.8912	3.9311		3.0594	1.7901	2.4810
H8	2.8745	2.2209	2.2528	1.1057	3.9311	2.8912	3.0594		2.4810	1.7901
H9	2.2209	2.8745	1.1057	2.2528	2.8912	3.9311	1.7901	2.4810		3.0594
H10	2.8745	2.2209	2.2528	1.1057	3.9311	2.8912	2.4810	1.7901	3.0594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.019	C1	C2	H6	133.784
C1	C3	C4	85.981	C1	C3	H7	116.037
C1	C3	H9	116.037	C2	C1	C3	94.019
C2	C1	H5	133.784	C2	C4	C3	85.981
C2	C4	H8	116.037	C2	C4	H10	116.037
C3	C1	H5	132.197	C3	C4	H8	114.818
C3	C4	H10	114.818	C4	C2	H6	132.197
C4	C3	H7	114.818	C4	C3	H9	114.818
H7	C3	H9	108.092	H8	C4	H10	108.092

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: LSDA/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	-0.113
2	C	-0.113
3	C	-0.378
4	C	-0.378
5	H	0.142
6	H	0.142
7	H	0.174
8	H	0.174
9	H	0.174
10	H	0.174

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: LSDA/6-31G*

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)