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	hartrees
Energy at 0K	-2649.467386
Energy at 298.15K	-2649.471327
HF Energy	-2649.467386
Nuclear repulsion energy	92.257177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3689	3658	76.36
2	A'	1149	1139	45.44
3	A'	611	606	11.09

Atom	x (Å)	y (Å)
H1	-0.931	1.682
O2	0.022	1.473
Br3	0.022	-0.385

	H1	O2	Br3
H1		0.9752	2.2754
O2	0.9752		1.8573
Br3	2.2754	1.8573

Number	Element	Mulliken
1	H	0.256
2	O	-0.410
3	Br	0.154

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

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
	-1.398	0.005	0.000	1.398
CHELPG
AIM
ESP

	x	y	z
x	3.777	-0.140	0.000
y	-0.140	5.307	0.000
z	0.000	0.000	3.678

<r²>	40.920
(<r²>)^1/2	6.397