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	hartrees
Energy at 0K	-5264.347488
Energy at 298.15K	-5264.353284
HF Energy	-5264.347488
Nuclear repulsion energy	442.412151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1838	1813	318.39
2	A₁	399	394	6.40
3	A₁	170	168	0.45
4	B₁	502	495	1.65
5	B₂	678	668	468.97
6	B₂	323	319	12.96

Atom	y (Å)	z (Å)
C1	0.000	0.794
O2	0.000	1.970
Br3	1.618	-0.293
Br4	-1.618	-0.293

	C1	O2	Br3	Br4
C1		1.1765	1.9493	1.9493
O2	1.1765		2.7824	2.7824
Br3	1.9493	2.7824		3.2363
Br4	1.9493	2.7824	3.2363

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	123.889		O2	C1	Br4	123.889
Br3	C1	Br4	112.221

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

using model chemistry: B97D3/cc-pVTZ

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	0.094
2	O	-0.105
3	Br	0.006
4	Br	0.006

	x	y	z	Total
	0.000	0.000	-1.001	1.001
CHELPG
AIM
ESP

<r²>	253.318
(<r²>)^1/2	15.916

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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