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	hartrees
Energy at 0K	-2647.785014
Energy at 298.15K	-2647.789030
HF Energy	-2647.785014
Nuclear repulsion energy	94.810832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4136	3766	131.43
2	A'	1295	1179	44.32
3	A'	737	671	14.58

Atom	x (Å)	y (Å)
H1	-0.889	1.690
O2	0.021	1.429
Br3	0.021	-0.375

	H1	O2	Br3
H1		0.9467	2.2567
O2	0.9467		1.8041
Br3	2.2567	1.8041

Number	Element	Mulliken
1	H	0.167
2	O	-0.649
3	Br	0.482

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

using model chemistry: HF/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
	-1.507	-0.007	0.000	1.507
CHELPG
AIM
ESP

	x	y	z
x	3.349	-0.162	0.000
y	-0.162	5.055	0.000
z	0.000	0.000	3.206

<r²>	39.571
(<r²>)^1/2	6.291