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	hartrees
Energy at 0K	-140.045698
Energy at 298.15K	-140.051482
HF Energy	-140.045698
Nuclear repulsion energy	72.181294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1772	1704	395.18
2	A₁	393	378	8.66
3	A₁	173	166	0.29
4	B₁	492	473	2.19
5	B₂	686	660	506.83
6	B₂	336	323	5.09

Atom	y (Å)	z (Å)
C1	0.000	0.802
O2	0.000	2.007
Br3	1.655	-0.298
Br4	-1.655	-0.298

	C1	O2	Br3	Br4
C1		1.2047	1.9869	1.9869
O2	1.2047		2.8372	2.8372
Br3	1.9869	2.8372		3.3091
Br4	1.9869	2.8372	3.3091

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	123.622		O2	C1	Br4	123.622
Br3	C1	Br4	112.756

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

using model chemistry: B3LYP/SDD

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	-0.145
2	O	-0.068
3	Br	0.107
4	Br	0.107

	x	y	z	Total
	0.000	0.000	-1.279	1.279
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/SDD

States and conformations

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