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	hartrees
Energy at 0K	-5255.950229
Energy at 298.15K	-5255.956167
HF Energy	-5255.950229
Nuclear repulsion energy	450.090481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1939	1843	333.31
2	A₁	442	420	6.31
3	A₁	191	181	0.26
4	B₁	533	506	2.89
5	B₂	771	733	478.07
6	B₂	353	336	2.14

Atom	y (Å)	z (Å)
C1	0.000	0.780
O2	0.000	1.956
Br3	1.585	-0.290
Br4	-1.585	-0.290

	C1	O2	Br3	Br4
C1		1.1761	1.9126	1.9126
O2	1.1761		2.7494	2.7494
Br3	1.9126	2.7494		3.1698
Br4	1.9126	2.7494	3.1698

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	124.036		O2	C1	Br4	124.036
Br3	C1	Br4	111.928

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

using model chemistry: PBE1PBE/6-31G*

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	0.336
2	O	-0.296
3	Br	-0.020
4	Br	-0.020

	x	y	z	Total
	0.000	0.000	-1.204	1.204
CHELPG
AIM
ESP

<r²>	244.990
(<r²>)^1/2	15.652

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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