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	hartrees
Energy at 0K	-155.854018
Energy at 298.15K	-155.849219
HF Energy	-155.985527
Nuclear repulsion energy	113.103361

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3211	3099	24.97
2	A₁	3042	2935	47.28
3	A₁	1643	1586	1.04
4	A₁	1487	1435	0.01
5	A₁	1219	1177	0.80
6	A₁	1135	1095	0.01
7	A₁	1006	970	0.00
8	A₁	894	863	0.69
9	A₂	3075	2967	0.00
10	A₂	1172	1131	0.00
11	A₂	1039	1003	0.00
12	A₂	947	913	0.00
13	A₂	323	311	0.00
14	B₁	3090	2982	54.12
15	B₁	1101	1062	4.93
16	B₁	875	844	12.76
17	B₁	657	634	32.73
18	B₂	3177	3066	16.49
19	B₂	3036	2930	46.24
20	B₂	1468	1416	0.01
21	B₂	1323	1277	10.94
22	B₂	1234	1191	1.87
23	B₂	902	871	11.31
24	B₂	864	834	1.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.669	0.815
C2	0.000	-0.669	0.815
C3	0.000	0.786	-0.699
C4	0.000	-0.786	-0.699
H5	0.000	1.418	1.598
H6	0.000	-1.418	1.598
H7	0.888	1.246	-1.145
H8	-0.888	-1.246	-1.145
H9	-0.888	1.246	-1.145
H10	0.888	-1.246	-1.145

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3377	1.5186	2.0997	1.0843	2.2292	2.2276	2.8804	2.2276	2.8804
C2	1.3377		2.0997	1.5186	2.2292	1.0843	2.8804	2.2276	2.8804	2.2276
C3	1.5186	2.0997		1.5721	2.3831	3.1840	1.0953	2.2624	1.0953	2.2624
C4	2.0997	1.5186	1.5721		3.1840	2.3831	2.2624	1.0953	2.2624	1.0953
H5	1.0843	2.2292	2.3831	3.1840		2.8362	2.8886	3.9260	2.8886	3.9260
H6	2.2292	1.0843	3.1840	2.3831	2.8362		3.9260	2.8886	3.9260	2.8886
H7	2.2276	2.8804	1.0953	2.2624	2.8886	3.9260		3.0611	1.7769	2.4926
H8	2.8804	2.2276	2.2624	1.0953	3.9260	2.8886	3.0611		2.4926	1.7769
H9	2.2276	2.8804	1.0953	2.2624	2.8886	3.9260	1.7769	2.4926		3.0611
H10	2.8804	2.2276	2.2624	1.0953	3.9260	2.8886	2.4926	1.7769	3.0611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.434	C1	C2	H6	133.702
C1	C3	C4	85.566	C1	C3	H7	115.925
C1	C3	H9	115.925	C2	C1	C3	94.434
C2	C1	H5	133.702	C2	C4	C3	85.566
C2	C4	H8	115.925	C2	C4	H10	115.925
C3	C1	H5	131.865	C3	C4	H8	114.878
C3	C4	H10	114.878	C4	C2	H6	131.865
C4	C3	H7	114.878	C4	C3	H9	114.878
H7	C3	H9	108.454	H8	C4	H10	108.454

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: G4

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	-0.058
2	C	-0.058
3	C	-0.243
4	C	-0.243
5	H	0.093
6	H	0.093
7	H	0.104
8	H	0.104
9	H	0.104
10	H	0.104

<r²>	65.698
(<r²>)^1/2	8.105

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: G4

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)