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	hartrees
Energy at 0K	-5261.657587
Energy at 298.15K	-5261.663461
HF Energy	-5261.657587
Nuclear repulsion energy	443.461391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1868	1813	349.29
2	A₁	417	405	5.97
3	A₁	177	171	0.50
4	B₁	514	499	1.63
5	B₂	726	704	467.32
6	B₂	341	331	4.87

Atom	y (Å)	z (Å)
C1	0.000	0.784
O2	0.000	1.961
Br3	1.616	-0.291
Br4	-1.616	-0.291

	C1	O2	Br3	Br4
C1		1.1771	1.9415	1.9415
O2	1.1771		2.7724	2.7724
Br3	1.9415	2.7724		3.2329
Br4	1.9415	2.7724	3.2329

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	123.635		O2	C1	Br4	123.635
Br3	C1	Br4	112.729

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

using model chemistry: B3LYP/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	-0.404
2	O	-0.239
3	Br	0.322
4	Br	0.322

	x	y	z	Total
	0.000	0.000	-1.198	1.198
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/aug-cc-pVDZ

States and conformations

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