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	hartrees
Energy at 0K	-2651.236225
Energy at 298.15K	-2651.240151
HF Energy	-2651.236225
Nuclear repulsion energy	91.346652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3689	3636	66.24
2	A'	1142	1126	40.66
3	A'	587	578	7.26

Atom	x (Å)	y (Å)
H1	-0.930	1.691
O2	0.022	1.489
Br3	0.022	-0.389

	H1	O2	Br3
H1		0.9729	2.2875
O2	0.9729		1.8780
Br3	2.2875	1.8780

Number	Element	Mulliken
1	H	0.289
2	O	-0.370
3	Br	0.082

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

using model chemistry: B97D3/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
	-1.635	-0.192	0.000	1.646
CHELPG
AIM
ESP

	x	y	z
x	2.270	-0.198	0.000
y	-0.198	4.506	0.000
z	0.000	0.000	1.919

<r²>	41.282
(<r²>)^1/2	6.425