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	hartrees
Energy at 0K	-155.786257
Energy at 298.15K	-155.792389
Nuclear repulsion energy	112.708016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3121	3088	33.61
2	A₁	2972	2942	54.68
3	A₁	1594	1577	0.77
4	A₁	1449	1434	0.59
5	A₁	1175	1163	3.22
6	A₁	1110	1098	0.04
7	A₁	980	970	0.15
8	A₁	884	874	1.70
9	A₂	3006	2974	0.00
10	A₂	1138	1126	0.00
11	A₂	1006	996	0.00
12	A₂	886	877	0.00
13	A₂	311	307	0.00
14	B₁	3020	2989	63.50
15	B₁	1072	1060	3.97
16	B₁	845	836	15.30
17	B₁	621	614	53.06
18	B₂	3088	3056	27.13
19	B₂	2967	2936	50.43
20	B₂	1428	1413	1.05
21	B₂	1281	1268	13.98
22	B₂	1189	1177	4.71
23	B₂	886	876	15.46
24	B₂	839	830	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.674	0.815
C2	0.000	-0.674	0.815
C3	0.000	0.786	-0.700
C4	0.000	-0.786	-0.700
H5	0.000	1.429	1.607
H6	0.000	-1.429	1.607
H7	0.895	1.249	-1.149
H8	-0.895	-1.249	-1.149
H9	-0.895	1.249	-1.149
H10	0.895	-1.249	-1.149

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3473	1.5192	2.1041	1.0944	2.2465	2.2338	2.8907	2.2338	2.8907
C2	1.3473		2.1041	1.5192	2.2465	1.0944	2.8907	2.2338	2.8907	2.2338
C3	1.5192	2.1041		1.5729	2.3950	3.1984	1.1029	2.2686	1.1029	2.2686
C4	2.1041	1.5192	1.5729		3.1984	2.3950	2.2686	1.1029	2.2686	1.1029
H5	1.0944	2.2465	2.3950	3.1984		2.8571	2.9036	3.9459	2.9036	3.9459
H6	2.2465	1.0944	3.1984	2.3950	2.8571		3.9459	2.9036	3.9459	2.9036
H7	2.2338	2.8907	1.1029	2.2686	2.9036	3.9459		3.0732	1.7892	2.4986
H8	2.8907	2.2338	2.2686	1.1029	3.9459	2.9036	3.0732		2.4986	1.7892
H9	2.2338	2.8907	1.1029	2.2686	2.9036	3.9459	1.7892	2.4986		3.0732
H10	2.8907	2.2338	2.2686	1.1029	3.9459	2.9036	2.4986	1.7892	3.0732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.259	C1	C2	H6	133.616
C1	C3	C4	85.741	C1	C3	H7	115.938
C1	C3	H9	115.938	C2	C1	C3	94.259
C2	C1	H5	133.616	C2	C4	C3	85.741
C2	C4	H8	115.938	C2	C4	H10	115.938
C3	C1	H5	132.125	C3	C4	H8	114.812
C3	C4	H10	114.812	C4	C2	H6	132.125
C4	C3	H7	114.812	C4	C3	H9	114.812
H7	C3	H9	108.416	H8	C4	H10	108.416

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: PBEPBE/6-311G*

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	-0.167
2	C	-0.167
3	C	-0.437
4	C	-0.437
5	H	0.172
6	H	0.172
7	H	0.216
8	H	0.216
9	H	0.216
10	H	0.216

<r²>	66.349
(<r²>)^1/2	8.145

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)