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	hartrees
Energy at 0K	-2650.039267
Energy at 298.15K	-2650.043247
HF Energy	-2650.039267
Nuclear repulsion energy	94.184715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3868	3698	89.40
2	A'	1215	1161	43.16
3	A'	671	642	12.81

Atom	x (Å)	y (Å)
H1	-0.911	1.671
O2	0.021	1.438
Br3	0.021	-0.376

	H1	O2	Br3
H1		0.9610	2.2499
O2	0.9610		1.8147
Br3	2.2499	1.8147

Number	Element	Mulliken
1	H	0.213
2	O	-0.331
3	Br	0.118

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

using model chemistry: wB97X-D/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
	-1.480	-0.034	0.000	1.481
CHELPG
AIM
ESP

	x	y	z
x	2.804	-0.190	0.000
y	-0.190	4.489	0.000
z	0.000	0.000	2.508

<r²>	39.628
(<r²>)^1/2	6.295