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	hartrees
Energy at 0K	-2649.926354
Energy at 298.15K	-2649.930269
HF Energy	-2649.926354
Nuclear repulsion energy	89.801567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3569	3560	34.22
2	A'	1163	1160	49.47
3	A'	568	567	2.53

Atom	x (Å)	y (Å)
H1	-0.936	1.728
O2	0.022	1.515
Br3	0.022	-0.396

	H1	O2	Br3
H1		0.9812	2.3297
O2	0.9812		1.9109
Br3	2.3297	1.9109

Number	Element	Mulliken
1	H	0.403
2	O	-0.553
3	Br	0.151

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

using model chemistry: BLYP/6-311G*

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
	-1.716	-0.179	0.000	1.725
CHELPG
AIM
ESP

	x	y	z
x	2.197	-0.257	0.000
y	-0.257	4.339	0.000
z	0.000	0.000	1.755

<r²>	42.293
(<r²>)^1/2	6.503