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	hartrees
Energy at 0K	-2650.082877
Energy at 298.15K	-2650.086850
HF Energy	-2650.082877
Nuclear repulsion energy	93.021523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3825	3666	92.23
2	A'	1193	1143	45.42
3	A'	660	633	11.17

Atom	x (Å)	y (Å)
H1	-0.919	1.684
O2	0.021	1.459
Br3	0.021	-0.382

	H1	O2	Br3
H1		0.9669	2.2693
O2	0.9669		1.8410
Br3	2.2693	1.8410

Number	Element	Mulliken
1	H	0.161
2	O	-0.519
3	Br	0.358

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	0.014	0.000	1.425
CHELPG
AIM
ESP

	x	y	z
x	3.598	-0.161	0.000
y	-0.161	5.181	0.000
z	0.000	0.000	3.454

<r²>	40.419
(<r²>)^1/2	6.358