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	hartrees
Energy at 0K	-2649.558731
Energy at 298.15K	-2649.562693
HF Energy	-2649.403896
Nuclear repulsion energy	93.233589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3792	3638	85.00
2	A'	1202	1153	42.56
3	A'	639	613	9.45

Atom	x (Å)	y (Å)
H1	-0.916	1.679
O2	0.021	1.452
Br3	0.021	-0.380

	H1	O2	Br3
H1		0.9642	2.2624
O2	0.9642		1.8323
Br3	2.2624	1.8323

Number	Element	Mulliken
1	H	0.231
2	O	-0.349
3	Br	0.118

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

using model chemistry: B2PLYP/cc-pVTZ

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
	-1.476	-0.056	0.000	1.477
CHELPG
AIM
ESP

	x	y	z
x	2.789	-0.200	0.000
y	-0.200	4.539	0.000
z	0.000	0.000	2.482

<r²>	40.239
(<r²>)^1/2	6.343