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	hartrees
Energy at 0K	-5236.288686
Energy at 298.15K	-5236.294488
HF Energy	-5236.288686
Nuclear repulsion energy	434.780655

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1839	1774	282.91
2	A₁	390	377	8.23
3	A₁	170	164	0.03
4	B₁	513	495	3.19
5	B₂	694	669	462.69
6	B₂	332	320	3.76

Atom	y (Å)	z (Å)
C1	0.000	0.816
O2	0.000	2.007
Br3	1.645	-0.299
Br4	-1.645	-0.299

	C1	O2	Br3	Br4
C1		1.1908	1.9875	1.9875
O2	1.1908		2.8326	2.8326
Br3	1.9875	2.8326		3.2905
Br4	1.9875	2.8326	3.2905

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	124.125		O2	C1	Br4	124.125
Br3	C1	Br4	111.749

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

using model chemistry: B3LYP/3-21G

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	-0.011
2	O	-0.316
3	Br	0.163
4	Br	0.163

	x	y	z	Total
	0.000	0.000	-1.028	1.028
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/3-21G

States and conformations

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