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	hartrees
Energy at 0K	-5236.698424
Energy at 298.15K	-5236.704370
HF Energy	-5236.698424
Nuclear repulsion energy	449.608308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1812	1739	243.98
2	A₁	449	431	5.52
3	A₁	187	179	0.14
4	B₁	546	523	1.99
5	B₂	753	723	447.80
6	B₂	351	336	1.58

Atom	y (Å)	z (Å)
C1	0.000	0.802
O2	0.000	2.001
Br3	1.572	-0.297
Br4	-1.572	-0.297

	C1	O2	Br3	Br4
C1		1.1985	1.9187	1.9187
O2	1.1985		2.7846	2.7846
Br3	1.9187	2.7846		3.1444
Br4	1.9187	2.7846	3.1444

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	124.973		O2	C1	Br4	124.973
Br3	C1	Br4	110.054

All results from a given calculation for COBr₂ (Carbonic dibromide)

using model chemistry: B3PW91/3-21G*

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	0.303
2	O	-0.365
3	Br	0.031
4	Br	0.031

	x	y	z	Total
	0.000	0.000	-1.386	1.386
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for COBr2 (Carbonic dibromide)

using model chemistry: B3PW91/3-21G*

States and conformations

All results from a given calculation for COBr₂ (Carbonic dibromide)