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	hartrees
Energy at 0K	-2650.240203
Energy at 298.15K	-2650.244176
HF Energy	-2650.240203
Nuclear repulsion energy	93.153472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3826	3665	94.11
2	A'	1185	1135	45.01
3	A'	661	633	11.42

Atom	x (Å)	y (Å)
H1	-0.918	1.683
O2	0.021	1.457
Br3	0.021	-0.381

	H1	O2	Br3
H1		0.9660	2.2677
O2	0.9660		1.8383
Br3	2.2677	1.8383

Number	Element	Mulliken
1	H	0.142
2	O	-0.497
3	Br	0.355

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

using model chemistry: B1B95/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
	-1.423	-0.008	0.000	1.423
CHELPG
AIM
ESP

	x	y	z
x	3.569	-0.165	0.000
y	-0.165	5.164	0.000
z	0.000	0.000	3.421

<r²>	40.335
(<r²>)^1/2	6.351