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	hartrees
Energy at 0K	-2649.525303
Energy at 298.15K	-2649.529259
HF Energy	-2649.525303
Nuclear repulsion energy	92.780330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3850	3693	87.26
2	A'	1180	1132	41.24
3	A'	634	608	5.40

Atom	x (Å)	y (Å)
H1	-0.920	1.672
O2	0.021	1.465
Br3	0.021	-0.383

	H1	O2	Br3
H1		0.9640	2.2605
O2	0.9640		1.8476
Br3	2.2605	1.8476

Number	Element	Mulliken
1	H	0.285
2	O	-0.438
3	Br	0.153

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

using model chemistry: PBE1PBE/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
	-1.658	-0.183	0.000	1.668
CHELPG
AIM
ESP

	x	y	z
x	2.139	-0.225	0.000
y	-0.225	4.105	0.000
z	0.000	0.000	1.777

<r²>	40.403
(<r²>)^1/2	6.356