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	hartrees
Energy at 0K	-2620.573036
Energy at 298.15K	-2620.576987
HF Energy	-2620.573036
Nuclear repulsion energy	88.744648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3451	3193	47.08
2	A'	1269	1174	13.47
3	A'	702	649	1.45

Atom	x (Å)	y (Å)
H1	-1.021	1.682
O2	0.024	1.532
Br3	0.024	-0.398

	H1	O2	Br3
H1		1.0551	2.3278
O2	1.0551		1.9299
Br3	2.3278	1.9299

Number	Element	Mulliken
1	H	0.164
2	O	-0.188
3	Br	0.023

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

using model chemistry: BLYP/STO-3G

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
	-1.229	0.402	0.000	1.293
CHELPG
AIM
ESP

	x	y	z
x	0.732	-0.402	0.000
y	-0.402	2.633	0.000
z	0.000	0.000	0.085

<r²>	41.232
(<r²>)^1/2	6.421