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	hartrees
Energy at 0K	-5257.698642
Energy at 298.15K	-5257.704723
HF Energy	-5257.698642
Nuclear repulsion energy	450.355702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2050	2050	453.37
2	A₁	464	464	5.15
3	A₁	194	194	0.29
4	B₁	579	579	6.44
5	B₂	843	843	523.46
6	B₂	395	395	0.08

Atom	y (Å)	z (Å)
C1	0.000	0.762
O2	0.000	1.909
Br3	1.599	-0.283
Br4	-1.599	-0.283

	C1	O2	Br3	Br4
C1		1.1470	1.9105	1.9105
O2	1.1470		2.7136	2.7136
Br3	1.9105	2.7136		3.1985
Br4	1.9105	2.7136	3.1985

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Br3	123.167		O2	C1	Br4	123.167
Br3	C1	Br4	113.666

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

using model chemistry: ROHF/cc-pVQZ

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.000	0.000	-1.310	1.310
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/cc-pVQZ

States and conformations

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