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	hartrees
Energy at 0K	-2649.511321
Energy at 298.15K	-2649.515274
HF Energy	-2649.511321
Nuclear repulsion energy	92.603081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3843	3691	86.79
2	A'	1180	1133	41.26
3	A'	627	602	5.21

Atom	x (Å)	y (Å)
H1	-0.920	1.675
O2	0.021	1.468
Br3	0.021	-0.383

	H1	O2	Br3
H1		0.9641	2.2639
O2	0.9641		1.8514
Br3	2.2639	1.8514

Number	Element	Mulliken
1	H	0.286
2	O	-0.439
3	Br	0.154

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

using model chemistry: HSEh1PBE/6-311G**

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
	-1.658	-0.193	0.000	1.669
CHELPG
AIM
ESP

	x	y	z
x	2.143	-0.227	0.000
y	-0.227	4.125	0.000
z	0.000	0.000	1.779

<r²>	40.521
(<r²>)^1/2	6.366