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	hartrees
Energy at 0K	-5261.566571
Energy at 298.15K	-5261.572484
HF Energy	-5261.566571
Nuclear repulsion energy	446.457303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1914	1847	359.64
2	A₁	432	417	6.87
3	A₁	182	175	0.24
4	B₁	522	504	2.65
5	B₂	750	723	487.67
6	B₂	347	335	4.78

Atom	y (Å)	z (Å)
C1	0.000	0.784
O2	0.000	1.959
Br3	1.602	-0.291
Br4	-1.602	-0.291

	C1	O2	Br3	Br4
C1		1.1752	1.9292	1.9292
O2	1.1752		2.7622	2.7622
Br3	1.9292	2.7622		3.2035
Br4	1.9292	2.7622	3.2035

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	123.872		O2	C1	Br4	123.872
Br3	C1	Br4	112.255

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

using model chemistry: B3PW91/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	0.014
2	O	-0.078
3	Br	0.032
4	Br	0.032

	x	y	z	Total
	0.000	0.000	-1.062	1.062
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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