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	hartrees
Energy at 0K	-5232.614637
Energy at 298.15K	-5232.620712
HF Energy	-5232.614637
Nuclear repulsion energy	450.910927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1956	1777	311.28
2	A₁	471	428	4.12
3	A₁	198	180	0.08
4	B₁	581	528	8.16
5	B₂	841	764	477.14
6	B₂	389	354	0.27

Atom	y (Å)	z (Å)
C1	0.000	0.780
O2	0.000	1.958
Br3	1.580	-0.291
Br4	-1.580	-0.291

	C1	O2	Br3	Br4
C1		1.1779	1.9089	1.9089
O2	1.1779		2.7483	2.7483
Br3	1.9089	2.7483		3.1608
Br4	1.9089	2.7483	3.1608

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	124.114		O2	C1	Br4	124.114
Br3	C1	Br4	111.772

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

using model chemistry: ROHF/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	0.454
2	O	-0.471
3	Br	0.008
4	Br	0.008

	x	y	z	Total
	0.000	0.000	-1.704	1.704
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: ROHF/3-21G*

States and conformations

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