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	hartrees
Energy at 0K	-5235.841476
Energy at 298.15K	-5235.847341
HF Energy	-5235.841476
Nuclear repulsion energy	446.550878

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1750	1669	211.42
2	A₁	432	412	5.43
3	A₁	181	172	0.16
4	B₁	526	502	0.86
5	B₂	706	673	425.85
6	B₂	331	316	3.70

Atom	y (Å)	z (Å)
C1	0.000	0.815
O2	0.000	2.025
Br3	1.579	-0.301
Br4	-1.579	-0.301

	C1	O2	Br3	Br4
C1		1.2101	1.9340	1.9340
O2	1.2101		2.8119	2.8119
Br3	1.9340	2.8119		3.1583
Br4	1.9340	2.8119	3.1583

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	125.261		O2	C1	Br4	125.261
Br3	C1	Br4	109.479

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

using model chemistry: PBEPBE/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	0.256
2	O	-0.330
3	Br	0.037
4	Br	0.037

	x	y	z	Total
	0.000	0.000	-1.255	1.255
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/3-21G*

States and conformations

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