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	hartrees
Energy at 0K	-155.845537
Energy at 298.15K	-155.851800
HF Energy	-155.845537
Nuclear repulsion energy	113.722228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3217	3092	20.99
2	A₁	3059	2940	45.92
3	A₁	1653	1589	0.88
4	A₁	1480	1423	0.64
5	A₁	1220	1173	2.77
6	A₁	1147	1102	0.10
7	A₁	1012	973	0.03
8	A₁	915	879	1.24
9	A₂	3094	2973	0.00
10	A₂	1173	1127	0.00
11	A₂	1040	999	0.00
12	A₂	949	912	0.00
13	A₂	320	308	0.00
14	B₁	3108	2987	44.11
15	B₁	1101	1058	6.20
16	B₁	872	838	17.69
17	B₁	650	625	45.38
18	B₂	3185	3061	15.23
19	B₂	3053	2935	42.46
20	B₂	1457	1401	1.24
21	B₂	1331	1280	13.56
22	B₂	1239	1191	3.28
23	B₂	916	880	16.19
24	B₂	864	830	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.667	0.809
C2	0.000	-0.667	0.809
C3	0.000	0.779	-0.695
C4	0.000	-0.779	-0.695
H5	0.000	1.412	1.594
H6	0.000	-1.412	1.594
H7	0.887	1.238	-1.138
H8	-0.887	-1.238	-1.138
H9	-0.887	1.238	-1.138
H10	0.887	-1.238	-1.138

	C1	C2	C3	C4	H5	H6	H7	H8	H9	H10
C1		1.3334	1.5077	2.0861	1.0832	2.2226	2.2144	2.8642	2.2144	2.8642
C2	1.3334		2.0861	1.5077	2.2226	1.0832	2.8642	2.2144	2.8642	2.2144
C3	1.5077	2.0861		1.5587	2.3751	3.1692	1.0924	2.2475	1.0924	2.2475
C4	2.0861	1.5077	1.5587		3.1692	2.3751	2.2475	1.0924	2.2475	1.0924
H5	1.0832	2.2226	2.3751	3.1692		2.8249	2.8782	3.9085	2.8782	3.9085
H6	2.2226	1.0832	3.1692	2.3751	2.8249		3.9085	2.8782	3.9085	2.8782
H7	2.2144	2.8642	1.0924	2.2475	2.8782	3.9085		3.0453	1.7740	2.4752
H8	2.8642	2.2144	2.2475	1.0924	3.9085	2.8782	3.0453		2.4752	1.7740
H9	2.2144	2.8642	1.0924	2.2475	2.8782	3.9085	1.7740	2.4752		3.0453
H10	2.8642	2.2144	2.2475	1.0924	3.9085	2.8782	2.4752	1.7740	3.0453

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	94.284	C1	C2	H6	133.509
C1	C3	C4	85.716	C1	C3	H7	115.857
C1	C3	H9	115.857	C2	C1	C3	94.284
C2	C1	H5	133.509	C2	C4	C3	85.716
C2	C4	H8	115.857	C2	C4	H10	115.857
C3	C1	H5	132.207	C3	C4	H8	114.803
C3	C4	H10	114.803	C4	C2	H6	132.207
C4	C3	H7	114.803	C4	C3	H9	114.803
H7	C3	H9	108.571	H8	C4	H10	108.571

All results from a given calculation for C₄H₆ (Cyclobutene)

using model chemistry: HSEh1PBE/cc-pVTZ

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	-0.155
2	C	-0.155
3	C	-0.130
4	C	-0.130
5	H	0.110
6	H	0.110
7	H	0.088
8	H	0.088
9	H	0.088
10	H	0.088

<r²>	65.343
(<r²>)^1/2	8.084

All results from a given calculation for C4H6 (Cyclobutene)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₆ (Cyclobutene)