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	hartrees
Energy at 0K	-2649.937144
Energy at 298.15K	-2649.941083
HF Energy	-2649.937144
Nuclear repulsion energy	91.579266

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3786	3661	75.73
2	A'	1170	1132	41.13
3	A'	605	585	3.80

Atom	x (Å)	y (Å)
H1	-0.924	1.691
O2	0.021	1.485
Br3	0.021	-0.388

	H1	O2	Br3
H1		0.9674	2.2839
O2	0.9674		1.8733
Br3	2.2839	1.8733

Number	Element	Mulliken
1	H	0.282
2	O	-0.436
3	Br	0.153

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

using model chemistry: B3LYP/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
	-1.647	-0.222	0.000	1.662
CHELPG
AIM
ESP

	x	y	z
x	2.159	-0.242	0.000
y	-0.242	4.239	0.000
z	0.000	0.000	1.776

<r²>	41.161
(<r²>)^1/2	6.416