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	hartrees
Energy at 0K	-5257.595704
Energy at 298.15K	-5257.601780
HF Energy	-5257.595704
Nuclear repulsion energy	450.146839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2049	1857	461.03
2	A₁	464	420	5.24
3	A₁	194	176	0.26
4	B₁	581	526	6.72
5	B₂	843	764	525.42
6	B₂	395	358	0.07

Atom	y (Å)	z (Å)
C1	0.000	0.760
O2	0.000	1.909
Br3	1.599	-0.283
Br4	-1.599	-0.283

	C1	O2	Br3	Br4
C1		1.1489	1.9097	1.9097
O2	1.1489		2.7138	2.7138
Br3	1.9097	2.7138		3.1987
Br4	1.9097	2.7138	3.1987

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	123.125		O2	C1	Br4	123.125
Br3	C1	Br4	113.750

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

using model chemistry: HF/Def2TZVPP

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	0.276
2	O	-0.251
3	Br	-0.013
4	Br	-0.013

	x	y	z	Total
	0.000	0.000	-1.320	1.320
CHELPG
AIM
ESP

<r²>	247.224
(<r²>)^1/2	15.723

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

using model chemistry: HF/Def2TZVPP

States and conformations

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