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	hartrees
Energy at 0K	-2650.222707
Energy at 298.15K	-2650.226665
HF Energy	-2650.222707
Nuclear repulsion energy	92.844511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3803	3645	60.90
2	A'	1217	1166	48.31
3	A'	632	606	5.36

Atom	x (Å)	y (Å)
H1	-0.913	1.699
O2	0.021	1.462
Br3	0.021	-0.383

	H1	O2	Br3
H1		0.9638	2.2814
O2	0.9638		1.8444
Br3	2.2814	1.8444

Number	Element	Mulliken
1	H	0.430
2	O	-0.601
3	Br	0.171

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

using model chemistry: B1B95/6-311G*

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
	-1.771	-0.190	0.000	1.781
CHELPG
AIM
ESP

	x	y	z
x	2.106	-0.229	0.000
y	-0.229	4.095	0.000
z	0.000	0.000	1.730

<r²>	40.369
(<r²>)^1/2	6.354