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	hartrees
Energy at 0K	-2635.235435
Energy at 298.15K	-2635.239449
HF Energy	-2635.235435
Nuclear repulsion energy	93.607921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3804	3434	60.34
2	A'	1290	1164	46.60
3	A'	741	669	1.58

Atom	x (Å)	y (Å)
H1	-0.913	1.717
O2	0.021	1.446
Br3	0.021	-0.379

	H1	O2	Br3
H1		0.9723	2.2947
O2	0.9723		1.8251
Br3	2.2947	1.8251

Number	Element	Mulliken
1	H	0.411
2	O	-0.572
3	Br	0.161

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

using model chemistry: HF/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
	-1.879	-0.203	0.000	1.890
CHELPG
AIM
ESP

	x	y	z
x	2.000	-0.341	0.000
y	-0.341	4.014	0.000
z	0.000	0.000	1.538

<r²>	39.739
(<r²>)^1/2	6.304