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	hartrees
Energy at 0K	-2647.470423
Energy at 298.15K	-2647.474371
HF Energy	-2647.470423
Nuclear repulsion energy	91.874256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3779	3631	62.78
2	A'	1187	1141	48.80
3	A'	622	597	4.98

Atom	x (Å)	y (Å)
H1	-0.929	1.680
O2	0.022	1.480
Br3	0.022	-0.386

	H1	O2	Br3
H1		0.9714	2.2746
O2	0.9714		1.8667
Br3	2.2746	1.8667

Number	Element	Mulliken
1	H	0.346
2	O	-0.491
3	Br	0.145

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

using model chemistry: B3LYP/6-31G**

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
	-1.574	-0.099	0.000	1.577
CHELPG
AIM
ESP

	x	y	z
x	2.465	-0.241	0.000
y	-0.241	4.240	0.000
z	0.000	0.000	2.083

<r²>	40.721
(<r²>)^1/2	6.381