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	hartrees
Energy at 0K	-5257.686037
Energy at 298.15K	-5257.692118
HF Energy	-5257.686037
Nuclear repulsion energy	449.990473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2044	2044	451.37
2	A₁	463	463	4.95
3	A₁	194	194	0.31
4	B₁	578	578	5.83
5	B₂	841	841	514.08
6	B₂	395	395	0.04

Atom	y (Å)	z (Å)
C1	0.000	0.762
O2	0.000	1.911
Br3	1.600	-0.284
Br4	-1.600	-0.284

	C1	O2	Br3	Br4
C1		1.1491	1.9116	1.9116
O2	1.1491		2.7161	2.7161
Br3	1.9116	2.7161		3.2009
Br4	1.9116	2.7161	3.2009

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	123.151		O2	C1	Br4	123.151
Br3	C1	Br4	113.698

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

using model chemistry: ROHF/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	0.256
2	O	-0.424
3	Br	0.084
4	Br	0.084

	x	y	z	Total
	0.000	0.000	-1.327	1.327
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: ROHF/aug-cc-pVTZ

States and conformations

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