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	hartrees
Energy at 0K	-2650.172621
Energy at 298.15K	-2650.176596
HF Energy	-2650.172621
Nuclear repulsion energy	94.025940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3846	3689	90.78
2	A'	1208	1159	43.63
3	A'	663	636	11.41

Atom	x (Å)	y (Å)
H1	-0.915	1.665
O2	0.021	1.443
Br3	0.021	-0.377

	H1	O2	Br3
H1		0.9625	2.2473
O2	0.9625		1.8206
Br3	2.2473	1.8206

Number	Element	Mulliken
1	H	0.218
2	O	-0.329
3	Br	0.111

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

using model chemistry: mPW1PW91/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
	-1.477	0.008	0.000	1.477
CHELPG
AIM
ESP

	x	y	z
x	2.808	-0.191	0.000
y	-0.191	4.487	0.000
z	0.000	0.000	2.518

<r²>	39.682
(<r²>)^1/2	6.299