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	hartrees
Energy at 0K	-154.918826
Energy at 298.15K	-154.925296
Nuclear repulsion energy	113.872839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3365	3047	23.60
2	A₁	3186	2885	60.81
3	A₁	1791	1622	1.04
4	A₁	1621	1468	0.28
5	A₁	1353	1225	0.40
6	A₁	1219	1104	0.06
7	A₁	1069	968	0.49
8	A₁	957	866	1.08
9	A₂	3213	2910	0.00
10	A₂	1283	1162	0.00
11	A₂	1143	1035	0.00
12	A₂	1055	956	0.00
13	A₂	348	315	0.00
14	B₁	3231	2926	79.65
15	B₁	1200	1087	8.51
16	B₁	949	860	18.20
17	B₁	724	655	35.80
18	B₂	3329	3015	17.09
19	B₂	3176	2876	65.52
20	B₂	1596	1445	0.34
21	B₂	1449	1312	13.71
22	B₂	1356	1228	1.94
23	B₂	962	871	13.66
24	B₂	931	843	1.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.660	0.812
C2	0.000	-0.660	0.812
C3	0.000	0.781	-0.698
C4	0.000	-0.781	-0.698
H5	0.000	1.399	1.592
H6	0.000	-1.399	1.592
H7	0.882	1.238	-1.137
H8	-0.882	-1.238	-1.137
H9	-0.882	1.238	-1.137
H10	0.882	-1.238	-1.137

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3199	1.5150	2.0874	1.0749	2.2022	2.2158	2.8598	2.2158	2.8598
C2	1.3199		2.0874	1.5150	2.2022	1.0749	2.8598	2.2158	2.8598	2.2158
C3	1.5150	2.0874		1.5621	2.3722	3.1623	1.0859	2.2467	1.0859	2.2467
C4	2.0874	1.5150	1.5621		3.1623	2.3722	2.2467	1.0859	2.2467	1.0859
H5	1.0749	2.2022	2.3722	3.1623		2.7990	2.8723	3.8964	2.8723	3.8964
H6	2.2022	1.0749	3.1623	2.3722	2.7990		3.8964	2.8723	3.8964	2.8723
H7	2.2158	2.8598	1.0859	2.2467	2.8723	3.8964		3.0405	1.7637	2.4766
H8	2.8598	2.2158	2.2467	1.0859	3.8964	2.8723	3.0405		2.4766	1.7637
H9	2.2158	2.8598	1.0859	2.2467	2.8723	3.8964	1.7637	2.4766		3.0405
H10	2.8598	2.2158	2.2467	1.0859	3.8964	2.8723	2.4766	1.7637	3.0405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.585	C1	C2	H6	133.474
C1	C3	C4	85.415	C1	C3	H7	115.865
C1	C3	H9	115.865	C2	C1	C3	94.585
C2	C1	H5	133.474	C2	C4	C3	85.415
C2	C4	H8	115.865	C2	C4	H10	115.865
C3	C1	H5	131.940	C3	C4	H8	114.905
C3	C4	H10	114.905	C4	C2	H6	131.940
C4	C3	H7	114.905	C4	C3	H9	114.905
H7	C3	H9	108.608	H8	C4	H10	108.608

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: HF/6-31G(2df,p)

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	-0.133
2	C	-0.133
3	C	-0.262
4	C	-0.262
5	H	0.139
6	H	0.139
7	H	0.128
8	H	0.128
9	H	0.128
10	H	0.128

<r²>	65.149
(<r²>)^1/2	8.071

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)