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	hartrees
Energy at 0K	-155.893027
Energy at 298.15K	-155.899168
Nuclear repulsion energy	112.276268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3128	3111	30.88
2	A₁	2962	2946	51.20
3	A₁	1581	1572	1.46
4	A₁	1444	1437	0.06
5	A₁	1176	1169	0.53
6	A₁	1098	1092	0.00
7	A₁	974	968	0.00
8	A₁	856	852	0.54
9	A₂	2991	2975	0.00
10	A₂	1135	1129	0.00
11	A₂	1007	1001	0.00
12	A₂	906	901	0.00
13	A₂	315	313	0.00
14	B₁	3007	2990	58.81
15	B₁	1067	1062	4.35
16	B₁	849	844	11.34
17	B₁	636	632	30.49
18	B₂	3094	3077	21.22
19	B₂	2957	2941	48.78
20	B₂	1429	1421	0.01
21	B₂	1278	1271	9.65
22	B₂	1193	1186	1.61
23	B₂	870	866	9.63
24	B₂	842	837	1.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.674	0.820
C2	0.000	-0.674	0.820
C3	0.000	0.793	-0.704
C4	0.000	-0.793	-0.704
H5	0.000	1.429	1.608
H6	0.000	-1.429	1.608
H7	0.894	1.256	-1.153
H8	-0.894	-1.256	-1.153
H9	-0.894	1.256	-1.153
H10	0.894	-1.256	-1.153

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3487	1.5290	2.1157	1.0911	2.2461	2.2432	2.9018	2.2432	2.9018
C2	1.3487		2.1157	1.5290	2.2461	1.0911	2.9018	2.2432	2.9018	2.2432
C3	1.5290	2.1157		1.5855	2.3984	3.2068	1.1024	2.2801	1.1024	2.2801
C4	2.1157	1.5290	1.5855		3.2068	2.3984	2.2801	1.1024	2.2801	1.1024
H5	1.0911	2.2461	2.3984	3.2068		2.8579	2.9078	3.9542	2.9078	3.9542
H6	2.2461	1.0911	3.2068	2.3984	2.8579		3.9542	2.9078	3.9542	2.9078
H7	2.2432	2.9018	1.1024	2.2801	2.9078	3.9542		3.0834	1.7875	2.5124
H8	2.9018	2.2432	2.2801	1.1024	3.9542	2.9078	3.0834		2.5124	1.7875
H9	2.2432	2.9018	1.1024	2.2801	2.9078	3.9542	1.7875	2.5124		3.0834
H10	2.9018	2.2432	2.2801	1.1024	3.9542	2.9078	2.5124	1.7875	3.0834

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.442	C1	C2	H6	133.755
C1	C3	C4	85.558	C1	C3	H7	116.024
C1	C3	H9	116.024	C2	C1	C3	94.442
C2	C1	H5	133.755	C2	C4	C3	85.558
C2	C4	H8	116.024	C2	C4	H10	116.024
C3	C1	H5	131.804	C3	C4	H8	114.859
C3	C4	H10	114.859	C4	C2	H6	131.804
C4	C3	H7	114.859	C4	C3	H9	114.859
H7	C3	H9	108.335	H8	C4	H10	108.335

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: BLYP/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	-0.029
2	C	-0.029
3	C	-0.217
4	C	-0.217
5	H	0.070
6	H	0.070
7	H	0.088
8	H	0.088
9	H	0.088
10	H	0.088

<r²>	66.540
(<r²>)^1/2	8.157

All results from a given calculation for C4H6 (Cyclobutene)

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

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)