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	hartrees
Energy at 0K	-5262.270617
Energy at 298.15K	-5262.276560
HF Energy	-5262.270617
Nuclear repulsion energy	449.325900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1898	1818	354.84
2	A₁	441	423	5.97
3	A₁	183	175	0.41
4	B₁	523	501	1.65
5	B₂	767	734	472.62
6	B₂	355	340	1.67

Atom	y (Å)	z (Å)
C1	0.000	0.774
O2	0.000	1.948
Br3	1.592	-0.289
Br4	-1.592	-0.289

	C1	O2	Br3	Br4
C1		1.1739	1.9141	1.9141
O2	1.1739		2.7456	2.7456
Br3	1.9141	2.7456		3.1833
Br4	1.9141	2.7456	3.1833

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	123.744		O2	C1	Br4	123.744
Br3	C1	Br4	112.512

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

using model chemistry: B1B95/aug-cc-pVDZ

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	-0.468
2	O	-0.256
3	Br	0.362
4	Br	0.362

	x	y	z	Total
	0.000	0.000	-1.240	1.240
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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