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	hartrees
Energy at 0K	-5256.157736
Energy at 298.15K	-5256.163638
HF Energy	-5256.157736
Nuclear repulsion energy	450.595935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1831	1813	258.14
2	A₁	435	431	4.86
3	A₁	184	182	0.27
4	B₁	522	517	1.06
5	B₂	741	733	416.04
6	B₂	341	337	1.83

Atom	y (Å)	z (Å)
C1	0.000	0.775
O2	0.000	1.962
Br3	1.581	-0.291
Br4	-1.581	-0.291

	C1	O2	Br3	Br4
C1		1.1871	1.9069	1.9069
O2	1.1871		2.7524	2.7524
Br3	1.9069	2.7524		3.1625
Br4	1.9069	2.7524	3.1625

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	123.980		O2	C1	Br4	123.980
Br3	C1	Br4	112.040

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.043
2	O	-0.135
3	Br	0.089
4	Br	0.089

	x	y	z	Total
	0.000	0.000	-1.041	1.041
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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