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	hartrees
Energy at 0K	-5257.051899
Energy at 298.15K	-5257.057855
HF Energy	-5257.051899
Nuclear repulsion energy	450.082102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1901	1809	376.31
2	A₁	438	417	6.67
3	A₁	184	175	0.38
4	B₁	551	524	1.80
5	B₂	760	723	496.86
6	B₂	363	346	1.63

Atom	y (Å)	z (Å)
C1	0.000	0.762
O2	0.000	1.941
Br3	1.591	-0.287
Br4	-1.591	-0.287

	C1	O2	Br3	Br4
C1		1.1790	1.9060	1.9060
O2	1.1790		2.7381	2.7381
Br3	1.9060	2.7381		3.1823
Br4	1.9060	2.7381	3.1823

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	123.404		O2	C1	Br4	123.404
Br3	C1	Br4	113.193

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

using model chemistry: mPW1PW91/6-31+G**

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	0.133
2	O	-0.173
3	Br	0.020
4	Br	0.020

	x	y	z	Total
	0.000	0.000	-1.385	1.385
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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