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	hartrees
Energy at 0K	-154.847753
Energy at 298.15K	-154.854236
Nuclear repulsion energy	112.932554

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3444	3099	26.78
2	A₁	3240	2916	65.52
3	A₁	1753	1577	3.23
4	A₁	1642	1478	1.92
5	A₁	1360	1224	2.06
6	A₁	1222	1099	0.61
7	A₁	1078	970	0.00
8	A₁	957	861	4.67
9	A₂	3283	2954	0.00
10	A₂	1288	1159	0.00
11	A₂	1162	1046	0.00
12	A₂	1048	943	0.00
13	A₂	354	319	0.00
14	B₁	3301	2971	109.06
15	B₁	1207	1086	10.42
16	B₁	949	854	24.04
17	B₁	749	674	83.43
18	B₂	3403	3063	13.50
19	B₂	3227	2904	75.08
20	B₂	1624	1461	1.46
21	B₂	1445	1301	16.40
22	B₂	1389	1250	5.09
23	B₂	969	872	17.21
24	B₂	952	857	6.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.671	0.821
C2	0.000	-0.671	0.821
C3	0.000	0.789	-0.706
C4	0.000	-0.789	-0.706
H5	0.000	1.407	1.598
H6	0.000	-1.407	1.598
H7	0.881	1.244	-1.142
H8	-0.881	-1.244	-1.142
H9	-0.881	1.244	-1.142
H10	0.881	-1.244	-1.142

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3411	1.5319	2.1127	1.0708	2.2183	2.2266	2.8802	2.2266	2.8802
C2	1.3411		2.1127	1.5319	2.2183	1.0708	2.8802	2.2266	2.8802	2.2266
C3	1.5319	2.1127		1.5783	2.3859	3.1835	1.0829	2.2584	1.0829	2.2584
C4	2.1127	1.5319	1.5783		3.1835	2.3859	2.2584	1.0829	2.2584	1.0829
H5	1.0708	2.2183	2.3859	3.1835		2.8143	2.8828	3.9133	2.8828	3.9133
H6	2.2183	1.0708	3.1835	2.3859	2.8143		3.9133	2.8828	3.9133	2.8828
H7	2.2266	2.8802	1.0829	2.2584	2.8828	3.9133		3.0488	1.7614	2.4885
H8	2.8802	2.2266	2.2584	1.0829	3.9133	2.8828	3.0488		2.4885	1.7614
H9	2.2266	2.8802	1.0829	2.2584	2.8828	3.9133	1.7614	2.4885		3.0488
H10	2.8802	2.2266	2.2584	1.0829	3.9133	2.8828	2.4885	1.7614	3.0488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.440	C1	C2	H6	133.465
C1	C3	C4	85.560	C1	C3	H7	115.698
C1	C3	H9	115.698	C2	C1	C3	94.440
C2	C1	H5	133.465	C2	C4	C3	85.560
C2	C4	H8	115.698	C2	C4	H10	115.698
C3	C1	H5	132.095	C3	C4	H8	114.854
C3	C4	H10	114.854	C4	C2	H6	132.095
C4	C3	H7	114.854	C4	C3	H9	114.854
H7	C3	H9	108.844	H8	C4	H10	108.844

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: HF/LANL2DZ

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	-0.203
2	C	-0.203
3	C	-0.373
4	C	-0.373
5	H	0.208
6	H	0.208
7	H	0.184
8	H	0.184
9	H	0.184
10	H	0.184

<r²>	66.352
(<r²>)^1/2	8.146

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)