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	hartrees
Energy at 0K	-2649.993306
Energy at 298.15K	-2649.997261
HF Energy	-2649.993306
Nuclear repulsion energy	92.895268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3790	3648	86.00
2	A'	1188	1144	42.94
3	A'	631	607	10.67

Atom	x (Å)	y (Å)
H1	-0.912	1.700
O2	0.021	1.458
Br3	0.021	-0.382

	H1	O2	Br3
H1		0.9643	2.2816
O2	0.9643		1.8399
Br3	2.2816	1.8399

Number	Element	Mulliken
1	H	0.208
2	O	-0.299
3	Br	0.091

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

using model chemistry: B3LYP/Def2TZVPP

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
	-1.493	-0.072	0.000	1.495
CHELPG
AIM
ESP

	x	y	z
x	2.942	-0.184	0.000
y	-0.184	4.824	0.000
z	0.000	0.000	2.667

<r²>	40.480
(<r²>)^1/2	6.362