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	hartrees
Energy at 0K	-5261.849205
Energy at 298.15K	-5261.855177
HF Energy	-5261.849205
Nuclear repulsion energy	448.607842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1921	1837	367.99
2	A₁	447	427	6.31
3	A₁	185	177	0.30
4	B₁	536	512	2.86
5	B₂	780	746	495.72
6	B₂	362	346	1.56

Atom	y (Å)	z (Å)
C1	0.000	0.776
O2	0.000	1.942
Br3	1.601	-0.288
Br4	-1.601	-0.288

	C1	O2	Br3	Br4
C1		1.1661	1.9226	1.9226
O2	1.1661		2.7456	2.7456
Br3	1.9226	2.7456		3.2023
Br4	1.9226	2.7456	3.2023

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	123.613		O2	C1	Br4	123.613
Br3	C1	Br4	112.774

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

using model chemistry: wB97X-D/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	0.141
2	O	-0.131
3	Br	-0.005
4	Br	-0.005

	x	y	z	Total
	0.000	0.000	-1.174	1.174
CHELPG
AIM
ESP

<r²>	247.431
(<r²>)^1/2	15.730

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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