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	hartrees
Energy at 0K	-2649.434804
Energy at 298.15K	-2649.438740
HF Energy	-2649.434804
Nuclear repulsion energy	91.204479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3602	3581	59.11
2	A'	1131	1124	40.75
3	A'	607	604	3.11

Atom	x (Å)	y (Å)
H1	-0.946	1.673
O2	0.022	1.492
Br3	0.022	-0.389

	H1	O2	Br3
H1		0.9846	2.2774
O2	0.9846		1.8810
Br3	2.2774	1.8810

Number	Element	Mulliken
1	H	0.193
2	O	-0.302
3	Br	0.108

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

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
	-1.523	-0.104	0.000	1.526
CHELPG
AIM
ESP

	x	y	z
x	2.133	-0.253	0.000
y	-0.253	4.079	0.000
z	0.000	0.000	1.697

<r²>	41.095
(<r²>)^1/2	6.411