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	hartrees
Energy at 0K	-2647.504259
Energy at 298.15K	-2647.508246
HF Energy	-2647.504259
Nuclear repulsion energy	93.379601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3866	3674	93.11
2	A'	1225	1164	48.03
3	A'	692	658	6.62

Atom	x (Å)	y (Å)
H1	-0.922	1.671
O2	0.021	1.454
Br3	0.021	-0.380

	H1	O2	Br3
H1		0.9681	2.2577
O2	0.9681		1.8337
Br3	2.2577	1.8337

Number	Element	Mulliken
1	H	0.370
2	O	-0.525
3	Br	0.156

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

using model chemistry: M06-2X/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
	-1.626	-0.033	0.000	1.626
CHELPG
AIM
ESP

	x	y	z
x	2.409	-0.227	0.000
y	-0.227	4.127	0.000
z	0.000	0.000	2.054

<r²>	39.933
(<r²>)^1/2	6.319