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	hartrees
Energy at 0K	-2645.457624
Energy at 298.15K	-2645.461649
HF Energy	-2645.457624
Nuclear repulsion energy	96.595063

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4152	3759	125.04
2	A'	1304	1181	53.99
3	A'	765	692	16.50

Atom	x (Å)	y (Å)
H1	-0.884	1.669
O2	0.021	1.400
Br3	0.021	-0.368

	H1	O2	Br3
H1		0.9435	2.2288
O2	0.9435		1.7682
Br3	2.2288	1.7682

Number	Element	Mulliken
1	H	0.365
2	O	-0.688
3	Br	0.322

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

using model chemistry: HF/6-31G(2df,p)

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
	-1.506	0.159	0.000	1.515
CHELPG
AIM
ESP

	x	y	z
x	3.025	-0.198	0.000
y	-0.198	4.432	0.000
z	0.000	0.000	2.823

<r²>	38.341
(<r²>)^1/2	6.192