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	hartrees
Energy at 0K	-2644.486925
Energy at 298.15K	-2644.490902
HF Energy	-2644.486925
Nuclear repulsion energy	95.114857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3708	3649	88.28
2	A'	1145	1126	54.98
3	A'	686	675	13.72

Atom	x (Å)	y (Å)
H1	-0.928	1.648
O2	0.022	1.424
Br3	0.022	-0.373

	H1	O2	Br3
H1		0.9756	2.2329
O2	0.9756		1.7964
Br3	2.2329	1.7964

Number	Element	Mulliken
1	H	0.352
2	O	-0.501
3	Br	0.149

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

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

	x	y	z	Total
	-1.444	0.288	0.000	1.473
CHELPG
AIM
ESP

	x	y	z
x	3.199	-0.214	0.000
y	-0.214	4.461	0.000
z	0.000	0.000	2.936

<r²>	38.850
(<r²>)^1/2	6.233