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	hartrees
Energy at 0K	-5255.578616
Energy at 298.15K	-5255.584544
HF Energy	-5255.578616
Nuclear repulsion energy	452.485791

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1865	1848	321.06
2	A₁	447	442	5.48
3	A₁	181	180	0.45
4	B₁	517	512	0.75
5	B₂	756	749	441.04
6	B₂	347	344	1.68

Atom	y (Å)	z (Å)
C1	0.000	0.775
O2	0.000	1.949
Br3	1.576	-0.289
Br4	-1.576	-0.289

	C1	O2	Br3	Br4
C1		1.1743	1.9012	1.9012
O2	1.1743		2.7370	2.7370
Br3	1.9012	2.7370		3.1517
Br4	1.9012	2.7370	3.1517

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	124.018		O2	C1	Br4	124.018
Br3	C1	Br4	111.964

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

using model chemistry: LSDA/aug-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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Number	Element	Mulliken
1	C	-0.046
2	O	-0.352
3	Br	0.199
4	Br	0.199

	x	y	z	Total
	0.000	0.000	-1.276	1.276
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/aug-cc-pVTZ

States and conformations

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