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	hartrees
Energy at 0K	-2646.781018
Energy at 298.15K	-2646.784966
HF Energy	-2646.781018
Nuclear repulsion energy	93.144291

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3684	3641	96.35
2	A'	1107	1094	43.75
3	A'	631	624	11.32

Atom	x (Å)	y (Å)
H1	-0.932	1.673
O2	0.022	1.457
Br3	0.022	-0.381

	H1	O2	Br3
H1		0.9777	2.2641
O2	0.9777		1.8376
Br3	2.2641	1.8376

Number	Element	Mulliken
1	H	0.307
2	O	-0.393
3	Br	0.086

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

using model chemistry: LSDA/TZVP

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
	-1.717	-0.162	0.000	1.724
CHELPG
AIM
ESP

	x	y	z
x	2.256	-0.184	0.000
y	-0.184	4.303	0.000
z	0.000	0.000	1.918

<r²>	40.354
(<r²>)^1/2	6.352