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	hartrees
Energy at 0K	-2647.464434
Energy at 298.15K	-2647.468355
HF Energy	-2647.464434
Nuclear repulsion energy	90.099555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3554	3525	39.66
2	A'	1173	1164	48.67
3	A'	583	578	3.59

Atom	x (Å)	y (Å)
H1	-0.932	1.724
O2	0.022	1.497
Br3	0.022	-0.391

	H1	O2	Br3
H1		0.9807	2.3208
O2	0.9807		1.8887
Br3	2.3208	1.8887

Number	Element	Mulliken
1	H	0.407
2	O	-0.533
3	Br	0.127

All results from a given calculation for HOBr (Hypobromous acid)

using model chemistry: BLYP/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.546	-0.092	0.000	1.549
CHELPG
AIM
ESP

	x	y	z
x	2.530	-0.253	0.000
y	-0.253	4.328	0.000
z	0.000	0.000	2.096

<r²>	41.782
(<r²>)^1/2	6.464