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	hartrees
Energy at 0K	-2649.955152
Energy at 298.15K	-2649.959132
HF Energy	-2649.955152
Nuclear repulsion energy	93.385562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3859	3652	109.24
2	A'	1185	1121	36.94
3	A'	678	642	11.26

Atom	x (Å)	y (Å)
H1	-0.916	1.687
O2	0.021	1.453
Br3	0.021	-0.380

	H1	O2	Br3
H1		0.9658	2.2696
O2	0.9658		1.8328
Br3	2.2696	1.8328

Number	Element	Mulliken
1	H	0.314
2	O	-0.408
3	Br	0.094

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

using model chemistry: M06-2X/TZVP

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
	-1.709	-0.224	0.000	1.724
CHELPG
AIM
ESP

	x	y	z
x	2.182	-0.197	0.000
y	-0.197	4.392	0.000
z	0.000	0.000	1.861

<r²>	40.279
(<r²>)^1/2	6.347