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	hartrees
Energy at 0K	-2636.980988
Energy at 298.15K	-2636.984964
HF Energy	-2636.980988
Nuclear repulsion energy	92.061517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3478	3338	24.87
2	A'	1203	1155	51.23
3	A'	674	647	1.33

Atom	x (Å)	y (Å)
H1	-0.953	1.689
O2	0.022	1.473
Br3	0.022	-0.385

	H1	O2	Br3
H1		0.9990	2.2915
O2	0.9990		1.8581
Br3	2.2915	1.8581

Number	Element	Mulliken
1	H	0.382
2	O	-0.484
3	Br	0.102

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

using model chemistry: PBE1PBE/3-21G*

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
	-1.770	-0.044	0.000	1.771
CHELPG
AIM
ESP

	x	y	z
x	2.123	-0.316	0.000
y	-0.316	3.874	0.000
z	0.000	0.000	1.576

<r²>	40.392
(<r²>)^1/2	6.355