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	hartrees
Energy at 0K	-2649.523101
Energy at 298.15K	-2649.527072
HF Energy	-2649.523101
Nuclear repulsion energy	92.917996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3818	3673	92.71
2	A'	1191	1146	45.35
3	A'	657	632	11.24

Atom	x (Å)	y (Å)
H1	-0.920	1.685
O2	0.021	1.461
Br3	0.021	-0.382

	H1	O2	Br3
H1		0.9677	2.2712
O2	0.9677		1.8432
Br3	2.2712	1.8432

Number	Element	Mulliken
1	H	0.152
2	O	-0.510
3	Br	0.357

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

using model chemistry: HSEh1PBE/aug-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
	-1.422	0.014	0.000	1.422
CHELPG
AIM
ESP

	x	y	z
x	3.610	-0.163	0.000
y	-0.163	5.198	0.000
z	0.000	0.000	3.469

<r²>	40.511
(<r²>)^1/2	6.365