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	hartrees
Energy at 0K	-5261.727118
Energy at 298.15K	-5261.732978
HF Energy	-5261.727118
Nuclear repulsion energy	442.451669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1893	1827	391.25
2	A₁	411	397	7.36
3	A₁	174	168	0.50
4	B₁	515	497	2.01
5	B₂	723	698	505.77
6	B₂	342	330	8.55

Atom	y (Å)	z (Å)
C1	0.000	0.787
O2	0.000	1.957
Br3	1.623	-0.291
Br4	-1.623	-0.291

	C1	O2	Br3	Br4
C1		1.1693	1.9482	1.9482
O2	1.1693		2.7721	2.7721
Br3	1.9482	2.7721		3.2453
Br4	1.9482	2.7721	3.2453

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	123.605		O2	C1	Br4	123.605
Br3	C1	Br4	112.790

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

using model chemistry: B3LYP/TZVP

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	0.173
2	O	-0.142
3	Br	-0.015
4	Br	-0.015

	x	y	z	Total
	0.000	0.000	-1.187	1.187
CHELPG
AIM
ESP

<r²>	254.190
(<r²>)^1/2	15.943

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

using model chemistry: B3LYP/TZVP

States and conformations

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