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	hartrees
Energy at 0K	-2644.300138
Energy at 298.15K	-2644.304096
HF Energy	-2644.300138
Nuclear repulsion energy	92.990868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3641	3573	70.61
2	A'	1181	1159	55.98
3	A'	645	632	7.29

Atom	x (Å)	y (Å)
H1	-0.941	1.655
O2	0.022	1.460
Br3	0.022	-0.381

	H1	O2	Br3
H1		0.9829	2.2529
O2	0.9829		1.8415
Br3	2.2529	1.8415

Number	Element	Mulliken
1	H	0.439
2	O	-0.563
3	Br	0.124

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

using model chemistry: LSDA/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
	-1.638	-0.016	0.000	1.639
CHELPG
AIM
ESP

	x	y	z
x	2.480	-0.222	0.000
y	-0.222	4.020	0.000
z	0.000	0.000	2.090

<r²>	40.018
(<r²>)^1/2	6.326