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	hartrees
Energy at 0K	-2646.839290
Energy at 298.15K	-2646.843254
HF Energy	-2646.839290
Nuclear repulsion energy	94.014537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3689	3654	98.38
2	A'	1139	1128	48.62
3	A'	653	647	15.33

Atom	x (Å)	y (Å)
H1	-0.929	1.667
O2	0.022	1.442
Br3	0.022	-0.377

	H1	O2	Br3
H1		0.9765	2.2539
O2	0.9765		1.8189
Br3	2.2539	1.8189

Number	Element	Mulliken
1	H	0.205
2	O	-0.498
3	Br	0.293

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

using model chemistry: LSDA/aug-cc-pVTZ

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
	-1.425	0.052	0.000	1.426
CHELPG
AIM
ESP

	x	y	z
x	3.996	-0.152	0.000
y	-0.152	5.305	0.000
z	0.000	0.000	3.876

<r²>	39.908
(<r²>)^1/2	6.317